Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 9300. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 08-Feb-2018 ****************************************** %chk=\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxo le_opt631Gd_opt+freqPM6+631Gd.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connectivity integr al=grid=ultrafine pop=full gfprint ---------------------------------------------------------------------- 1/5=1,10=4,11=1,14=-1,18=20,26=4,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1,13=1/2; 6/7=3,28=1/1; 7/10=1,18=20,25=1/1,2,3,16; 1/5=1,10=4,11=1,14=-1,18=20,26=4/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5,75=-5/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,11=1,14=-1,18=20,26=4/3(-5); 2/9=110/2; 6/7=3,19=2,28=1/1; 99/9=1/99; ---------------------------------------- diene+dioxole_opt631Gd_opt+freqPM6+631Gd ---------------------------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -1.0943 1.35483 0.10089 H -0.93502 2.42868 0.00789 C -2.02353 0.70299 -0.70259 H -2.6183 1.24796 -1.4287 C -2.0234 -0.70335 -0.70243 H -2.61808 -1.24859 -1.42841 C -1.09403 -1.35482 0.10118 H -0.93459 -2.42868 0.00849 C -0.70307 -0.77028 1.43454 H -1.42176 -1.14197 2.19462 H 0.28833 -1.16007 1.74143 C -0.70308 0.77068 1.43433 H 0.28839 1.16057 1.74089 H -1.42159 1.14258 2.19447 C 0.62821 0.70031 -0.99635 H 0.36793 1.4164 -1.75247 C 0.6282 -0.70052 -0.99616 H 0.36806 -1.41675 -1.75221 O 1.69726 1.16502 -0.19886 O 1.6973 -1.16501 -0.19858 C 2.36137 0.00008 0.359 H 3.40326 0.00006 0.01187 H 2.21863 0.00021 1.44724 Add virtual bond connecting atoms C15 and C1 Dist= 4.05D+00. Add virtual bond connecting atoms C17 and C7 Dist= 4.05D+00. Add virtual bond connecting atoms H23 and H11 Dist= 4.29D+00. Add virtual bond connecting atoms H23 and H13 Dist= 4.29D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0896 calculate D2E/DX2 analytically ! ! R2 R(1,3) 1.3907 calculate D2E/DX2 analytically ! ! R3 R(1,12) 1.5074 calculate D2E/DX2 analytically ! ! R4 R(1,15) 2.1446 calculate D2E/DX2 analytically ! ! R5 R(3,4) 1.0853 calculate D2E/DX2 analytically ! ! R6 R(3,5) 1.4063 calculate D2E/DX2 analytically ! ! R7 R(5,6) 1.0853 calculate D2E/DX2 analytically ! ! R8 R(5,7) 1.3907 calculate D2E/DX2 analytically ! ! R9 R(7,8) 1.0896 calculate D2E/DX2 analytically ! ! R10 R(7,9) 1.5074 calculate D2E/DX2 analytically ! ! R11 R(7,17) 2.1444 calculate D2E/DX2 analytically ! ! R12 R(9,10) 1.1101 calculate D2E/DX2 analytically ! ! R13 R(9,11) 1.1086 calculate D2E/DX2 analytically ! ! R14 R(9,12) 1.541 calculate D2E/DX2 analytically ! ! R15 R(11,23) 2.2713 calculate D2E/DX2 analytically ! ! R16 R(12,13) 1.1086 calculate D2E/DX2 analytically ! ! R17 R(12,14) 1.1101 calculate D2E/DX2 analytically ! ! R18 R(13,23) 2.2712 calculate D2E/DX2 analytically ! ! R19 R(15,16) 1.0734 calculate D2E/DX2 analytically ! ! R20 R(15,17) 1.4008 calculate D2E/DX2 analytically ! ! R21 R(15,19) 1.4124 calculate D2E/DX2 analytically ! ! R22 R(17,18) 1.0734 calculate D2E/DX2 analytically ! ! R23 R(17,20) 1.4124 calculate D2E/DX2 analytically ! ! R24 R(19,21) 1.4524 calculate D2E/DX2 analytically ! ! R25 R(20,21) 1.4524 calculate D2E/DX2 analytically ! ! R26 R(21,22) 1.0982 calculate D2E/DX2 analytically ! ! R27 R(21,23) 1.0976 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 120.6855 calculate D2E/DX2 analytically ! ! A2 A(2,1,12) 114.8021 calculate D2E/DX2 analytically ! ! A3 A(2,1,15) 98.031 calculate D2E/DX2 analytically ! ! A4 A(3,1,12) 120.189 calculate D2E/DX2 analytically ! ! A5 A(3,1,15) 95.6258 calculate D2E/DX2 analytically ! ! A6 A(12,1,15) 97.2305 calculate D2E/DX2 analytically ! ! A7 A(1,3,4) 121.1545 calculate D2E/DX2 analytically ! ! A8 A(1,3,5) 117.9438 calculate D2E/DX2 analytically ! ! A9 A(4,3,5) 120.1481 calculate D2E/DX2 analytically ! ! A10 A(3,5,6) 120.1488 calculate D2E/DX2 analytically ! ! A11 A(3,5,7) 117.9422 calculate D2E/DX2 analytically ! ! A12 A(6,5,7) 121.1552 calculate D2E/DX2 analytically ! ! A13 A(5,7,8) 120.6857 calculate D2E/DX2 analytically ! ! A14 A(5,7,9) 120.1854 calculate D2E/DX2 analytically ! ! A15 A(5,7,17) 95.6291 calculate D2E/DX2 analytically ! ! A16 A(8,7,9) 114.8013 calculate D2E/DX2 analytically ! ! A17 A(8,7,17) 98.0284 calculate D2E/DX2 analytically ! ! A18 A(9,7,17) 97.24 calculate D2E/DX2 analytically ! ! A19 A(7,9,10) 107.9312 calculate D2E/DX2 analytically ! ! A20 A(7,9,11) 109.9042 calculate D2E/DX2 analytically ! ! A21 A(7,9,12) 112.8081 calculate D2E/DX2 analytically ! ! A22 A(10,9,11) 105.7651 calculate D2E/DX2 analytically ! ! A23 A(10,9,12) 109.5667 calculate D2E/DX2 analytically ! ! A24 A(11,9,12) 110.5883 calculate D2E/DX2 analytically ! ! A25 A(9,11,23) 122.9938 calculate D2E/DX2 analytically ! ! A26 A(1,12,9) 112.8075 calculate D2E/DX2 analytically ! ! A27 A(1,12,13) 109.903 calculate D2E/DX2 analytically ! ! A28 A(1,12,14) 107.9332 calculate D2E/DX2 analytically ! ! A29 A(9,12,13) 110.5882 calculate D2E/DX2 analytically ! ! A30 A(9,12,14) 109.5674 calculate D2E/DX2 analytically ! ! A31 A(13,12,14) 105.7643 calculate D2E/DX2 analytically ! ! A32 A(12,13,23) 122.9999 calculate D2E/DX2 analytically ! ! A33 A(1,15,16) 87.825 calculate D2E/DX2 analytically ! ! A34 A(1,15,17) 107.7653 calculate D2E/DX2 analytically ! ! A35 A(1,15,19) 102.6291 calculate D2E/DX2 analytically ! ! A36 A(16,15,17) 131.8509 calculate D2E/DX2 analytically ! ! A37 A(16,15,19) 111.2093 calculate D2E/DX2 analytically ! ! A38 A(17,15,19) 109.2052 calculate D2E/DX2 analytically ! ! A39 A(7,17,15) 107.7698 calculate D2E/DX2 analytically ! ! A40 A(7,17,18) 87.8337 calculate D2E/DX2 analytically ! ! A41 A(7,17,20) 102.6273 calculate D2E/DX2 analytically ! ! A42 A(15,17,18) 131.8466 calculate D2E/DX2 analytically ! ! A43 A(15,17,20) 109.2042 calculate D2E/DX2 analytically ! ! A44 A(18,17,20) 111.2075 calculate D2E/DX2 analytically ! ! A45 A(15,19,21) 107.4027 calculate D2E/DX2 analytically ! ! A46 A(17,20,21) 107.4026 calculate D2E/DX2 analytically ! ! A47 A(19,21,20) 106.673 calculate D2E/DX2 analytically ! ! A48 A(19,21,22) 108.2054 calculate D2E/DX2 analytically ! ! A49 A(19,21,23) 108.7403 calculate D2E/DX2 analytically ! ! A50 A(20,21,22) 108.2057 calculate D2E/DX2 analytically ! ! A51 A(20,21,23) 108.7405 calculate D2E/DX2 analytically ! ! A52 A(22,21,23) 115.8997 calculate D2E/DX2 analytically ! ! A53 A(11,23,13) 61.4434 calculate D2E/DX2 analytically ! ! A54 A(11,23,21) 103.8212 calculate D2E/DX2 analytically ! ! A55 A(13,23,21) 103.8147 calculate D2E/DX2 analytically ! ! D1 D(2,1,3,4) -0.8001 calculate D2E/DX2 analytically ! ! D2 D(2,1,3,5) 169.2674 calculate D2E/DX2 analytically ! ! D3 D(12,1,3,4) 154.6424 calculate D2E/DX2 analytically ! ! D4 D(12,1,3,5) -35.2901 calculate D2E/DX2 analytically ! ! D5 D(15,1,3,4) -103.6088 calculate D2E/DX2 analytically ! ! D6 D(15,1,3,5) 66.4587 calculate D2E/DX2 analytically ! ! D7 D(2,1,12,9) -169.5744 calculate D2E/DX2 analytically ! ! D8 D(2,1,12,13) -45.6597 calculate D2E/DX2 analytically ! ! D9 D(2,1,12,14) 69.2296 calculate D2E/DX2 analytically ! ! D10 D(3,1,12,9) 33.6125 calculate D2E/DX2 analytically ! ! D11 D(3,1,12,13) 157.5271 calculate D2E/DX2 analytically ! ! D12 D(3,1,12,14) -87.5836 calculate D2E/DX2 analytically ! ! D13 D(15,1,12,9) -67.2312 calculate D2E/DX2 analytically ! ! D14 D(15,1,12,13) 56.6835 calculate D2E/DX2 analytically ! ! D15 D(15,1,12,14) 171.5728 calculate D2E/DX2 analytically ! ! D16 D(2,1,15,16) -46.8392 calculate D2E/DX2 analytically ! ! D17 D(2,1,15,17) 179.6145 calculate D2E/DX2 analytically ! ! D18 D(2,1,15,19) 64.4147 calculate D2E/DX2 analytically ! ! D19 D(3,1,15,16) 75.286 calculate D2E/DX2 analytically ! ! D20 D(3,1,15,17) -58.2602 calculate D2E/DX2 analytically ! ! D21 D(3,1,15,19) -173.46 calculate D2E/DX2 analytically ! ! D22 D(12,1,15,16) -163.2585 calculate D2E/DX2 analytically ! ! D23 D(12,1,15,17) 63.1953 calculate D2E/DX2 analytically ! ! D24 D(12,1,15,19) -52.0045 calculate D2E/DX2 analytically ! ! D25 D(1,3,5,6) -170.1716 calculate D2E/DX2 analytically ! ! D26 D(1,3,5,7) -0.0012 calculate D2E/DX2 analytically ! ! D27 D(4,3,5,6) -0.0003 calculate D2E/DX2 analytically ! ! D28 D(4,3,5,7) 170.1702 calculate D2E/DX2 analytically ! ! D29 D(3,5,7,8) -169.2718 calculate D2E/DX2 analytically ! ! D30 D(3,5,7,9) 35.2971 calculate D2E/DX2 analytically ! ! D31 D(3,5,7,17) -66.4641 calculate D2E/DX2 analytically ! ! D32 D(6,5,7,8) 0.7947 calculate D2E/DX2 analytically ! ! D33 D(6,5,7,9) -154.6364 calculate D2E/DX2 analytically ! ! D34 D(6,5,7,17) 103.6025 calculate D2E/DX2 analytically ! ! D35 D(5,7,9,10) 87.564 calculate D2E/DX2 analytically ! ! D36 D(5,7,9,11) -157.5463 calculate D2E/DX2 analytically ! ! D37 D(5,7,9,12) -33.6301 calculate D2E/DX2 analytically ! ! D38 D(8,7,9,10) -69.2387 calculate D2E/DX2 analytically ! ! D39 D(8,7,9,11) 45.651 calculate D2E/DX2 analytically ! ! D40 D(8,7,9,12) 169.5672 calculate D2E/DX2 analytically ! ! D41 D(17,7,9,10) -171.5835 calculate D2E/DX2 analytically ! ! D42 D(17,7,9,11) -56.6938 calculate D2E/DX2 analytically ! ! D43 D(17,7,9,12) 67.2224 calculate D2E/DX2 analytically ! ! D44 D(5,7,17,15) 58.2659 calculate D2E/DX2 analytically ! ! D45 D(5,7,17,18) -75.2803 calculate D2E/DX2 analytically ! ! D46 D(5,7,17,20) 173.4656 calculate D2E/DX2 analytically ! ! D47 D(8,7,17,15) -179.6083 calculate D2E/DX2 analytically ! ! D48 D(8,7,17,18) 46.8454 calculate D2E/DX2 analytically ! ! D49 D(8,7,17,20) -64.4086 calculate D2E/DX2 analytically ! ! D50 D(9,7,17,15) -63.1883 calculate D2E/DX2 analytically ! ! D51 D(9,7,17,18) 163.2654 calculate D2E/DX2 analytically ! ! D52 D(9,7,17,20) 52.0113 calculate D2E/DX2 analytically ! ! D53 D(7,9,11,23) 98.6455 calculate D2E/DX2 analytically ! ! D54 D(10,9,11,23) -145.094 calculate D2E/DX2 analytically ! ! D55 D(12,9,11,23) -26.5531 calculate D2E/DX2 analytically ! ! D56 D(7,9,12,1) 0.0108 calculate D2E/DX2 analytically ! ! D57 D(7,9,12,13) -123.5254 calculate D2E/DX2 analytically ! ! D58 D(7,9,12,14) 120.2735 calculate D2E/DX2 analytically ! ! D59 D(10,9,12,1) -120.2493 calculate D2E/DX2 analytically ! ! D60 D(10,9,12,13) 116.2146 calculate D2E/DX2 analytically ! ! D61 D(10,9,12,14) 0.0135 calculate D2E/DX2 analytically ! ! D62 D(11,9,12,1) 123.549 calculate D2E/DX2 analytically ! ! D63 D(11,9,12,13) 0.0128 calculate D2E/DX2 analytically ! ! D64 D(11,9,12,14) -116.1883 calculate D2E/DX2 analytically ! ! D65 D(9,11,23,13) 29.1237 calculate D2E/DX2 analytically ! ! D66 D(9,11,23,21) -69.2755 calculate D2E/DX2 analytically ! ! D67 D(1,12,13,23) -98.662 calculate D2E/DX2 analytically ! ! D68 D(9,12,13,23) 26.535 calculate D2E/DX2 analytically ! ! D69 D(14,12,13,23) 145.0761 calculate D2E/DX2 analytically ! ! D70 D(12,13,23,11) -29.1161 calculate D2E/DX2 analytically ! ! D71 D(12,13,23,21) 69.294 calculate D2E/DX2 analytically ! ! D72 D(1,15,17,7) -0.0028 calculate D2E/DX2 analytically ! ! D73 D(1,15,17,18) 103.5139 calculate D2E/DX2 analytically ! ! D74 D(1,15,17,20) -110.779 calculate D2E/DX2 analytically ! ! D75 D(16,15,17,7) -103.5048 calculate D2E/DX2 analytically ! ! D76 D(16,15,17,18) 0.012 calculate D2E/DX2 analytically ! ! D77 D(16,15,17,20) 145.719 calculate D2E/DX2 analytically ! ! D78 D(19,15,17,7) 110.7737 calculate D2E/DX2 analytically ! ! D79 D(19,15,17,18) -145.7096 calculate D2E/DX2 analytically ! ! D80 D(19,15,17,20) -0.0025 calculate D2E/DX2 analytically ! ! D81 D(1,15,19,21) 112.089 calculate D2E/DX2 analytically ! ! D82 D(16,15,19,21) -155.3186 calculate D2E/DX2 analytically ! ! D83 D(17,15,19,21) -2.063 calculate D2E/DX2 analytically ! ! D84 D(7,17,20,21) -112.0889 calculate D2E/DX2 analytically ! ! D85 D(15,17,20,21) 2.0671 calculate D2E/DX2 analytically ! ! D86 D(18,17,20,21) 155.3104 calculate D2E/DX2 analytically ! ! D87 D(15,19,21,20) 3.2662 calculate D2E/DX2 analytically ! ! D88 D(15,19,21,22) 119.4868 calculate D2E/DX2 analytically ! ! D89 D(15,19,21,23) -113.8481 calculate D2E/DX2 analytically ! ! D90 D(17,20,21,19) -3.2677 calculate D2E/DX2 analytically ! ! D91 D(17,20,21,22) -119.4882 calculate D2E/DX2 analytically ! ! D92 D(17,20,21,23) 113.8465 calculate D2E/DX2 analytically ! ! D93 D(19,21,23,11) 89.6344 calculate D2E/DX2 analytically ! ! D94 D(19,21,23,13) 26.1506 calculate D2E/DX2 analytically ! ! D95 D(20,21,23,11) -26.1531 calculate D2E/DX2 analytically ! ! D96 D(20,21,23,13) -89.6369 calculate D2E/DX2 analytically ! ! D97 D(22,21,23,11) -148.2596 calculate D2E/DX2 analytically ! ! D98 D(22,21,23,13) 148.2566 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 138 maximum allowed number of steps= 138. Search for a saddle point of order 1. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.094296 1.354829 0.100886 2 1 0 -0.935020 2.428683 0.007887 3 6 0 -2.023526 0.702993 -0.702586 4 1 0 -2.618298 1.247964 -1.428695 5 6 0 -2.023405 -0.703346 -0.702432 6 1 0 -2.618080 -1.248589 -1.428411 7 6 0 -1.094025 -1.354817 0.101181 8 1 0 -0.934591 -2.428677 0.008487 9 6 0 -0.703068 -0.770280 1.434538 10 1 0 -1.421758 -1.141968 2.194615 11 1 0 0.288330 -1.160069 1.741425 12 6 0 -0.703080 0.770680 1.434327 13 1 0 0.288386 1.160568 1.740887 14 1 0 -1.421592 1.142576 2.194466 15 6 0 0.628208 0.700314 -0.996349 16 1 0 0.367933 1.416398 -1.752471 17 6 0 0.628200 -0.700524 -0.996163 18 1 0 0.368055 -1.416751 -1.752206 19 8 0 1.697259 1.165018 -0.198858 20 8 0 1.697300 -1.165011 -0.198582 21 6 0 2.361373 0.000077 0.359001 22 1 0 3.403261 0.000056 0.011872 23 1 0 2.218625 0.000205 1.447244 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089578 0.000000 3 C 1.390657 2.160468 0.000000 4 H 2.161856 2.508244 1.085349 0.000000 5 C 2.396799 3.390979 1.406339 2.165402 0.000000 6 H 3.382078 4.291617 2.165407 2.496553 1.085345 7 C 2.709646 3.787989 2.396789 3.382070 1.390667 8 H 3.788002 4.857360 3.390982 4.291626 2.160483 9 C 2.539247 3.510342 2.912291 3.992433 2.512849 10 H 3.274894 4.215239 3.487088 4.502428 2.991195 11 H 3.305712 4.169038 3.845630 4.929175 3.394871 12 C 1.507430 2.199432 2.512878 3.477464 2.912344 13 H 2.153869 2.471463 3.394830 4.301476 3.845564 14 H 2.129613 2.583012 2.991399 3.817133 3.487352 15 C 2.144606 2.537603 2.667957 3.320639 3.014581 16 H 2.361533 2.412730 2.707449 3.008451 3.363688 17 C 2.897410 3.639191 3.014581 3.810963 2.667826 18 H 3.640615 4.425302 3.363730 4.015429 2.707407 19 O 2.814010 2.927198 3.783048 4.488141 4.193771 20 O 3.772570 4.459414 4.193806 5.095097 3.782941 21 C 3.720702 4.109454 4.566005 5.436010 4.565931 22 H 4.698016 4.971813 5.518568 6.315986 5.518488 23 H 3.824020 4.232580 4.807445 5.764005 4.807381 6 7 8 9 10 6 H 0.000000 7 C 2.161869 0.000000 8 H 2.508270 1.089581 0.000000 9 C 3.477431 1.507439 2.199433 0.000000 10 H 3.816919 2.129596 2.583042 1.110128 0.000000 11 H 4.301501 2.153888 2.471432 1.108596 1.769212 12 C 3.992486 2.539262 3.510342 1.540960 2.180082 13 H 4.929101 3.305580 4.168880 2.192032 2.903814 14 H 4.502720 3.275075 4.215391 2.180088 2.284544 15 C 3.810943 2.897278 3.639041 3.137539 4.216469 16 H 4.015401 3.640464 4.425172 4.010689 5.032665 17 C 3.320474 2.144370 2.537351 2.772264 3.818149 18 H 3.008342 2.361474 2.412658 3.423531 4.342388 19 O 5.095042 3.772381 4.459178 3.489259 4.558417 20 O 4.487981 2.813784 2.926872 2.929959 3.931469 21 C 5.435896 3.720482 4.109146 3.337818 4.357273 22 H 6.315859 4.697791 4.971490 4.413540 5.417508 23 H 5.763904 3.823823 4.232288 3.021605 3.887867 11 12 13 14 15 11 H 0.000000 12 C 2.192030 0.000000 13 H 2.320637 1.108601 0.000000 14 H 2.903662 1.110125 1.769204 0.000000 15 C 3.327454 2.772267 2.796386 3.818190 0.000000 16 H 4.341869 3.423405 3.503616 4.342314 1.073424 17 C 2.796620 3.137520 3.327248 4.216489 1.400838 18 H 3.503955 4.010758 4.341730 5.032813 2.262955 19 O 3.340031 2.929919 2.397406 3.931378 1.412378 20 O 2.397676 3.489286 3.339895 4.558412 2.293213 21 C 2.748553 3.337818 2.748386 4.357185 2.308932 22 H 3.747004 4.413533 3.746829 5.417405 3.034434 23 H 2.271303 3.021615 2.271231 3.887741 2.998454 16 17 18 19 20 16 H 0.000000 17 C 2.262985 0.000000 18 H 2.833149 1.073433 0.000000 19 O 2.060100 2.293214 3.293206 0.000000 20 O 3.293245 1.412395 2.060100 2.330029 0.000000 21 C 3.230802 2.308939 3.230776 1.452357 1.452350 22 H 3.785782 3.034454 3.785735 2.076532 2.076530 23 H 3.958389 2.998451 3.958390 2.082850 2.082847 21 22 23 21 C 0.000000 22 H 1.098194 0.000000 23 H 1.097565 1.861090 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.094296 -1.354829 0.100886 2 1 0 0.935020 -2.428683 0.007887 3 6 0 2.023526 -0.702993 -0.702586 4 1 0 2.618298 -1.247964 -1.428695 5 6 0 2.023405 0.703346 -0.702432 6 1 0 2.618080 1.248589 -1.428411 7 6 0 1.094025 1.354817 0.101181 8 1 0 0.934591 2.428677 0.008487 9 6 0 0.703068 0.770280 1.434538 10 1 0 1.421758 1.141968 2.194615 11 1 0 -0.288330 1.160069 1.741425 12 6 0 0.703080 -0.770680 1.434327 13 1 0 -0.288386 -1.160568 1.740887 14 1 0 1.421592 -1.142576 2.194466 15 6 0 -0.628208 -0.700314 -0.996349 16 1 0 -0.367933 -1.416398 -1.752471 17 6 0 -0.628200 0.700524 -0.996163 18 1 0 -0.368055 1.416751 -1.752206 19 8 0 -1.697259 -1.165018 -0.198858 20 8 0 -1.697300 1.165011 -0.198582 21 6 0 -2.361373 -0.000077 0.359001 22 1 0 -3.403261 -0.000056 0.011872 23 1 0 -2.218625 -0.000205 1.447244 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9000536 1.0978231 1.0231967 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 2.067920201216 -2.560255384241 0.190646956733 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C1 Shell 2 SP 3 bf 2 - 5 2.067920201216 -2.560255384241 0.190646956733 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C1 Shell 3 SP 1 bf 6 - 9 2.067920201216 -2.560255384241 0.190646956733 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 2.067920201216 -2.560255384241 0.190646956733 0.8000000000D+00 0.1000000000D+01 Atom H2 Shell 5 S 3 bf 16 - 16 1.766932376257 -4.589545379806 0.014904316101 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H2 Shell 6 S 1 bf 17 - 17 1.766932376257 -4.589545379806 0.014904316101 0.1612777588D+00 0.1000000000D+01 Atom C3 Shell 7 S 6 bf 18 - 18 3.823910297565 -1.328463692310 -1.327695078709 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 8 SP 3 bf 19 - 22 3.823910297565 -1.328463692310 -1.327695078709 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 9 SP 1 bf 23 - 26 3.823910297565 -1.328463692310 -1.327695078709 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 10 D 1 bf 27 - 32 3.823910297565 -1.328463692310 -1.327695078709 0.8000000000D+00 0.1000000000D+01 Atom H4 Shell 11 S 3 bf 33 - 33 4.947866587822 -2.358309524902 -2.699842231332 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H4 Shell 12 S 1 bf 34 - 34 4.947866587822 -2.358309524902 -2.699842231332 0.1612777588D+00 0.1000000000D+01 Atom C5 Shell 13 S 6 bf 35 - 35 3.823681385874 1.329131867665 -1.327404060884 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 14 SP 3 bf 36 - 39 3.823681385874 1.329131867665 -1.327404060884 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 15 SP 1 bf 40 - 43 3.823681385874 1.329131867665 -1.327404060884 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 16 D 1 bf 44 - 49 3.823681385874 1.329131867665 -1.327404060884 0.8000000000D+00 0.1000000000D+01 Atom H6 Shell 17 S 3 bf 50 - 50 4.947454175150 2.359491921293 -2.699305549110 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 18 S 1 bf 51 - 51 4.947454175150 2.359491921293 -2.699305549110 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 19 S 6 bf 52 - 52 2.067407594447 2.560233472778 0.191204425942 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C7 Shell 20 SP 3 bf 53 - 56 2.067407594447 2.560233472778 0.191204425942 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C7 Shell 21 SP 1 bf 57 - 60 2.067407594447 2.560233472778 0.191204425942 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 22 D 1 bf 61 - 66 2.067407594447 2.560233472778 0.191204425942 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 1.766120803593 4.589534748950 0.016038151781 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 24 S 1 bf 68 - 68 1.766120803593 4.589534748950 0.016038151781 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 25 S 6 bf 69 - 69 1.328606040630 1.455618557399 2.710883993308 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C9 Shell 26 SP 3 bf 70 - 73 1.328606040630 1.455618557399 2.710883993308 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C9 Shell 27 SP 1 bf 74 - 77 1.328606040630 1.455618557399 2.710883993308 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 28 D 1 bf 78 - 83 1.328606040630 1.455618557399 2.710883993308 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 29 S 3 bf 84 - 84 2.686733247724 2.158007214505 4.147221363214 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 30 S 1 bf 85 - 85 2.686733247724 2.158007214505 4.147221363214 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 -0.544864738690 2.192212837369 3.290816377051 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 32 S 1 bf 87 - 87 -0.544864738690 2.192212837369 3.290816377051 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 1.328628996565 -1.456373824331 2.710485261094 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C12 Shell 34 SP 3 bf 89 - 92 1.328628996565 -1.456373824331 2.710485261094 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C12 Shell 35 SP 1 bf 93 - 96 1.328628996565 -1.456373824331 2.710485261094 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 1.328628996565 -1.456373824331 2.710485261094 0.8000000000D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 -0.544970142855 -2.193155546483 3.289799704392 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 38 S 1 bf 104 - 104 -0.544970142855 -2.193155546483 3.289799704392 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 2.686419967145 -2.159155284052 4.146939794020 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 2.686419967145 -2.159155284052 4.146939794020 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 -1.187140740182 -1.323401596493 -1.882826696684 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 42 SP 3 bf 108 - 111 -1.187140740182 -1.323401596493 -1.882826696684 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 43 SP 1 bf 112 - 115 -1.187140740182 -1.323401596493 -1.882826696684 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 -1.187140740182 -1.323401596493 -1.882826696684 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 45 S 3 bf 122 - 122 -0.695292141191 -2.676604197473 -3.311690199733 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 46 S 1 bf 123 - 123 -0.695292141191 -2.676604197473 -3.311690199733 0.1612777588D+00 0.1000000000D+01 Atom C17 Shell 47 S 6 bf 124 - 124 -1.187125876205 1.323798580047 -1.882475207623 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C17 Shell 48 SP 3 bf 125 - 128 -1.187125876205 1.323798580047 -1.882475207623 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C17 Shell 49 SP 1 bf 129 - 132 -1.187125876205 1.323798580047 -1.882475207623 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 50 D 1 bf 133 - 138 -1.187125876205 1.323798580047 -1.882475207623 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 51 S 3 bf 139 - 139 -0.695523201145 2.677271506164 -3.311189422308 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 52 S 1 bf 140 - 140 -0.695523201145 2.677271506164 -3.311189422308 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 53 S 6 bf 141 - 141 -3.207354268065 -2.201565083062 -0.375787113242 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O19 Shell 54 SP 3 bf 142 - 145 -3.207354268065 -2.201565083062 -0.375787113242 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O19 Shell 55 SP 1 bf 146 - 149 -3.207354268065 -2.201565083062 -0.375787113242 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 56 D 1 bf 150 - 155 -3.207354268065 -2.201565083062 -0.375787113242 0.8000000000D+00 0.1000000000D+01 Atom O20 Shell 57 S 6 bf 156 - 156 -3.207432169038 2.201551608612 -0.375265548830 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O20 Shell 58 SP 3 bf 157 - 160 -3.207432169038 2.201551608612 -0.375265548830 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O20 Shell 59 SP 1 bf 161 - 164 -3.207432169038 2.201551608612 -0.375265548830 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O20 Shell 60 D 1 bf 165 - 170 -3.207432169038 2.201551608612 -0.375265548830 0.8000000000D+00 0.1000000000D+01 Atom C21 Shell 61 S 6 bf 171 - 171 -4.462348060168 -0.000145752429 0.678413617523 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C21 Shell 62 SP 3 bf 172 - 175 -4.462348060168 -0.000145752429 0.678413617523 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C21 Shell 63 SP 1 bf 176 - 179 -4.462348060168 -0.000145752429 0.678413617523 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 64 D 1 bf 180 - 185 -4.462348060168 -0.000145752429 0.678413617523 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 -6.431231041311 -0.000106256970 0.022434874740 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 66 S 1 bf 187 - 187 -6.431231041311 -0.000106256970 0.022434874740 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -4.192593434127 -0.000387611508 2.734894853553 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 -4.192593434127 -0.000387611508 2.734894853553 0.1612777588D+00 0.1000000000D+01 There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 660.4945224974 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 8.06D-04 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.481857037 A.U. after 15 cycles NFock= 15 Conv=0.33D-08 -V/T= 2.0094 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 189 NBasis= 189 NAE= 41 NBE= 41 NFC= 0 NFV= 0 NROrb= 189 NOA= 41 NOB= 41 NVA= 148 NVB= 148 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=164638410. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 66 vectors produced by pass 0 Test12= 8.43D-15 1.39D-09 XBig12= 1.26D-01 1.83D-01. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 8.43D-15 1.39D-09 XBig12= 1.02D-02 3.17D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 7.83D-05 1.76D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 1.74D-07 6.74D-05. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 2.17D-10 2.45D-06. 60 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 1.92D-13 5.87D-08. 1 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 1.67D-16 1.44D-09. InvSVY: IOpt=1 It= 1 EMax= 5.27D-16 Solved reduced A of dimension 391 with 72 vectors. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17043 -19.17043 -10.29325 -10.24124 -10.24071 Alpha occ. eigenvalues -- -10.18820 -10.18818 -10.18050 -10.18031 -10.16679 Alpha occ. eigenvalues -- -10.16628 -1.08808 -0.99938 -0.83508 -0.76056 Alpha occ. eigenvalues -- -0.73413 -0.73231 -0.64131 -0.61238 -0.59943 Alpha occ. eigenvalues -- -0.58712 -0.52754 -0.51145 -0.49356 -0.47095 Alpha occ. eigenvalues -- -0.44315 -0.44293 -0.43499 -0.40647 -0.39957 Alpha occ. eigenvalues -- -0.38839 -0.38588 -0.37218 -0.35579 -0.34715 Alpha occ. eigenvalues -- -0.32446 -0.31752 -0.31365 -0.27944 -0.20259 Alpha occ. eigenvalues -- -0.18388 Alpha virt. eigenvalues -- 0.00073 0.01775 0.08054 0.10705 0.11393 Alpha virt. eigenvalues -- 0.12099 0.12597 0.13278 0.14451 0.14639 Alpha virt. eigenvalues -- 0.16447 0.16840 0.17585 0.19158 0.19229 Alpha virt. eigenvalues -- 0.20308 0.22876 0.23538 0.24294 0.25297 Alpha virt. eigenvalues -- 0.30958 0.31385 0.32789 0.35850 0.43748 Alpha virt. eigenvalues -- 0.47155 0.47592 0.49324 0.51332 0.52268 Alpha virt. eigenvalues -- 0.54236 0.54442 0.55283 0.56182 0.57468 Alpha virt. eigenvalues -- 0.60550 0.61900 0.63677 0.64622 0.67782 Alpha virt. eigenvalues -- 0.68827 0.70862 0.72263 0.74506 0.77135 Alpha virt. eigenvalues -- 0.77858 0.80106 0.80766 0.81615 0.83405 Alpha virt. eigenvalues -- 0.85086 0.85167 0.85699 0.88176 0.88271 Alpha virt. eigenvalues -- 0.88865 0.89391 0.89601 0.91400 0.92472 Alpha virt. eigenvalues -- 0.94192 0.95261 1.00792 1.01483 1.02675 Alpha virt. eigenvalues -- 1.03801 1.09771 1.09869 1.12962 1.18744 Alpha virt. eigenvalues -- 1.18867 1.22327 1.23678 1.28180 1.29232 Alpha virt. eigenvalues -- 1.37842 1.37962 1.42830 1.44448 1.45104 Alpha virt. eigenvalues -- 1.48260 1.50281 1.51873 1.53106 1.62211 Alpha virt. eigenvalues -- 1.64708 1.66557 1.71387 1.73664 1.77200 Alpha virt. eigenvalues -- 1.77558 1.79563 1.85593 1.86281 1.89941 Alpha virt. eigenvalues -- 1.91560 1.93146 1.96922 1.98780 1.99395 Alpha virt. eigenvalues -- 2.00536 2.02757 2.03242 2.05748 2.10421 Alpha virt. eigenvalues -- 2.12863 2.15875 2.16383 2.21803 2.24012 Alpha virt. eigenvalues -- 2.25826 2.27019 2.30438 2.31427 2.32075 Alpha virt. eigenvalues -- 2.38544 2.40984 2.41151 2.44513 2.45768 Alpha virt. eigenvalues -- 2.48411 2.52546 2.54763 2.59563 2.62921 Alpha virt. eigenvalues -- 2.67332 2.69128 2.69857 2.70414 2.73704 Alpha virt. eigenvalues -- 2.75655 2.83402 2.84921 2.85995 2.94539 Alpha virt. eigenvalues -- 3.11854 3.14240 4.01457 4.14540 4.14963 Alpha virt. eigenvalues -- 4.25175 4.27632 4.37384 4.41238 4.46799 Alpha virt. eigenvalues -- 4.51208 4.67793 4.94101 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17043 -19.17043 -10.29325 -10.24124 -10.24071 1 1 C 1S -0.00002 0.00000 0.00006 -0.00006 -0.00021 2 2S -0.00015 0.00000 0.00018 -0.00046 -0.00109 3 2PX -0.00005 -0.00002 -0.00003 0.00004 -0.00002 4 2PY 0.00000 -0.00001 0.00006 -0.00007 -0.00013 5 2PZ 0.00001 0.00001 0.00002 -0.00005 -0.00017 6 3S 0.00139 -0.00022 -0.00117 0.00186 0.00515 7 3PX 0.00021 0.00014 0.00025 -0.00102 -0.00111 8 3PY 0.00064 -0.00011 -0.00082 0.00044 0.00184 9 3PZ -0.00027 -0.00023 -0.00040 -0.00009 -0.00005 10 4XX 0.00004 0.00000 0.00005 -0.00003 -0.00008 11 4YY 0.00000 0.00000 0.00004 -0.00019 -0.00029 12 4ZZ 0.00001 0.00001 0.00006 -0.00012 -0.00021 13 4XY 0.00002 0.00001 0.00003 -0.00008 -0.00014 14 4XZ -0.00002 0.00001 0.00004 0.00010 0.00015 15 4YZ -0.00001 -0.00001 -0.00002 -0.00003 -0.00007 16 2 H 1S 0.00002 0.00001 -0.00001 -0.00009 -0.00010 17 2S 0.00013 -0.00002 -0.00027 -0.00006 0.00002 18 3 C 1S 0.00002 0.00000 -0.00002 -0.00010 -0.00004 19 2S 0.00013 0.00000 -0.00008 -0.00017 -0.00011 20 2PX 0.00001 0.00001 0.00001 0.00007 0.00004 21 2PY 0.00001 0.00002 -0.00005 -0.00002 0.00001 22 2PZ -0.00002 -0.00001 0.00001 0.00001 -0.00003 23 3S -0.00142 0.00016 0.00029 0.00047 -0.00133 24 3PX 0.00059 -0.00011 -0.00030 -0.00004 0.00070 25 3PY -0.00009 0.00022 0.00026 -0.00012 -0.00044 26 3PZ -0.00036 0.00011 0.00022 -0.00007 -0.00075 27 4XX 0.00000 -0.00001 -0.00001 -0.00003 0.00001 28 4YY 0.00002 0.00000 -0.00003 -0.00007 -0.00007 29 4ZZ 0.00004 0.00000 -0.00003 -0.00011 -0.00005 30 4XY -0.00001 -0.00001 -0.00001 0.00002 0.00001 31 4XZ 0.00003 0.00001 -0.00002 0.00002 0.00001 32 4YZ 0.00001 0.00000 0.00000 -0.00006 -0.00007 33 4 H 1S 0.00001 0.00002 0.00003 0.00002 -0.00003 34 2S -0.00011 0.00007 0.00014 -0.00020 -0.00037 35 5 C 1S -0.00001 0.00002 -0.00002 -0.00010 0.00004 36 2S -0.00005 0.00012 -0.00008 -0.00018 0.00011 37 2PX 0.00000 0.00001 0.00001 0.00007 -0.00004 38 2PY -0.00001 -0.00001 0.00005 0.00002 0.00001 39 2PZ 0.00000 -0.00003 0.00001 0.00001 0.00003 40 3S 0.00073 -0.00123 0.00029 0.00046 0.00133 41 3PX -0.00035 0.00049 -0.00030 -0.00004 -0.00070 42 3PY -0.00024 -0.00001 -0.00026 0.00012 -0.00044 43 3PZ 0.00025 -0.00028 0.00022 -0.00007 0.00075 44 4XX 0.00000 -0.00001 -0.00001 -0.00003 -0.00001 45 4YY 0.00000 0.00002 -0.00003 -0.00007 0.00007 46 4ZZ -0.00001 0.00003 -0.00003 -0.00011 0.00005 47 4XY 0.00000 0.00001 0.00001 -0.00002 0.00001 48 4XZ -0.00001 0.00003 -0.00002 0.00002 -0.00001 49 4YZ 0.00001 -0.00001 0.00000 0.00006 -0.00007 50 6 H 1S 0.00001 0.00002 0.00003 0.00002 0.00003 51 2S 0.00011 -0.00007 0.00014 -0.00020 0.00037 52 7 C 1S 0.00001 -0.00002 0.00006 -0.00006 0.00021 53 2S 0.00007 -0.00014 0.00018 -0.00047 0.00108 54 2PX 0.00000 -0.00005 -0.00003 0.00004 0.00002 55 2PY 0.00001 0.00001 -0.00006 0.00007 -0.00013 56 2PZ 0.00000 0.00002 0.00002 -0.00005 0.00017 57 3S -0.00077 0.00118 -0.00118 0.00189 -0.00514 58 3PX 0.00004 0.00026 0.00025 -0.00103 0.00110 59 3PY 0.00037 -0.00053 0.00082 -0.00045 0.00183 60 3PZ -0.00010 -0.00034 -0.00040 -0.00009 0.00005 61 4XX -0.00002 0.00004 0.00005 -0.00003 0.00008 62 4YY 0.00000 0.00000 0.00004 -0.00019 0.00029 63 4ZZ 0.00000 0.00001 0.00006 -0.00012 0.00021 64 4XY 0.00000 -0.00002 -0.00003 0.00008 -0.00014 65 4XZ 0.00002 -0.00001 0.00004 0.00010 -0.00015 66 4YZ 0.00001 0.00002 0.00002 0.00003 -0.00007 67 8 H 1S 0.00000 0.00002 -0.00001 -0.00009 0.00010 68 2S -0.00007 0.00011 -0.00027 -0.00006 -0.00003 69 9 C 1S -0.00002 0.00000 -0.00004 -0.00011 0.00015 70 2S -0.00009 0.00000 -0.00010 -0.00016 0.00035 71 2PX 0.00004 -0.00003 0.00009 0.00013 -0.00014 72 2PY 0.00001 0.00000 0.00007 0.00005 0.00002 73 2PZ 0.00002 -0.00005 0.00002 0.00021 -0.00029 74 3S 0.00075 -0.00006 0.00078 -0.00016 -0.00023 75 3PX -0.00011 -0.00006 -0.00010 -0.00062 0.00159 76 3PY -0.00024 0.00030 -0.00001 -0.00020 0.00098 77 3PZ -0.00043 0.00042 -0.00057 -0.00027 0.00039 78 4XX -0.00004 0.00003 -0.00006 -0.00007 0.00011 79 4YY -0.00002 0.00001 -0.00005 -0.00011 0.00012 80 4ZZ -0.00002 -0.00001 -0.00001 -0.00011 0.00017 81 4XY 0.00001 0.00000 -0.00003 -0.00001 -0.00006 82 4XZ -0.00002 0.00003 -0.00003 0.00001 0.00000 83 4YZ 0.00001 0.00000 -0.00002 -0.00004 -0.00004 84 10 H 1S 0.00001 -0.00004 0.00002 0.00005 -0.00012 85 2S 0.00013 -0.00014 0.00017 0.00052 -0.00087 86 11 H 1S -0.00007 0.00009 -0.00008 -0.00003 0.00016 87 2S 0.00009 -0.00047 0.00006 -0.00040 0.00042 88 12 C 1S 0.00001 -0.00002 -0.00004 -0.00011 -0.00015 89 2S 0.00004 -0.00008 -0.00010 -0.00016 -0.00035 90 2PX -0.00005 0.00002 0.00009 0.00013 0.00014 91 2PY 0.00000 -0.00001 -0.00007 -0.00005 0.00002 92 2PZ -0.00006 0.00000 0.00002 0.00021 0.00029 93 3S -0.00036 0.00066 0.00078 -0.00016 0.00023 94 3PX -0.00001 -0.00012 -0.00010 -0.00061 -0.00159 95 3PY -0.00038 0.00010 0.00001 0.00020 0.00098 96 3PZ 0.00056 -0.00022 -0.00057 -0.00026 -0.00039 97 4XX 0.00004 -0.00002 -0.00006 -0.00007 -0.00012 98 4YY 0.00002 -0.00001 -0.00005 -0.00011 -0.00012 99 4ZZ 0.00000 -0.00002 -0.00001 -0.00011 -0.00017 100 4XY 0.00000 -0.00001 0.00003 0.00001 -0.00006 101 4XZ 0.00003 0.00000 -0.00003 0.00001 0.00000 102 4YZ 0.00001 -0.00001 0.00002 0.00004 -0.00004 103 13 H 1S 0.00011 -0.00003 -0.00008 -0.00003 -0.00016 104 2S -0.00046 -0.00011 0.00006 -0.00040 -0.00043 105 14 H 1S -0.00004 -0.00001 0.00002 0.00005 0.00012 106 2S -0.00018 0.00006 0.00017 0.00052 0.00088 107 15 C 1S 0.00001 0.00000 -0.00014 0.69992 0.70461 108 2S 0.00024 0.00013 -0.00042 0.03459 0.03603 109 2PX -0.00026 -0.00001 -0.00001 -0.00033 -0.00027 110 2PY -0.00014 -0.00005 -0.00013 -0.00018 0.00017 111 2PZ 0.00019 0.00002 0.00001 0.00059 0.00072 112 3S -0.00214 -0.00030 0.00097 -0.00788 -0.02204 113 3PX 0.00104 -0.00016 -0.00065 -0.00011 0.00052 114 3PY 0.00070 0.00016 0.00051 0.00068 -0.00572 115 3PZ -0.00089 0.00018 0.00076 -0.00111 -0.00434 116 4XX 0.00014 0.00000 0.00006 -0.00634 -0.00609 117 4YY 0.00012 -0.00007 -0.00004 -0.00636 -0.00573 118 4ZZ 0.00007 -0.00001 -0.00005 -0.00629 -0.00598 119 4XY 0.00008 0.00004 -0.00004 0.00008 -0.00006 120 4XZ -0.00009 0.00000 -0.00016 -0.00016 -0.00012 121 4YZ -0.00007 -0.00004 0.00000 0.00011 0.00002 122 16 H 1S 0.00011 0.00008 0.00006 -0.00022 -0.00016 123 2S 0.00005 0.00010 0.00033 0.00145 0.00018 124 17 C 1S 0.00000 0.00001 -0.00014 0.70423 -0.70030 125 2S 0.00002 0.00027 -0.00042 0.03481 -0.03582 126 2PX 0.00009 -0.00024 -0.00001 -0.00033 0.00027 127 2PY -0.00002 0.00015 0.00013 0.00018 0.00017 128 2PZ -0.00006 0.00018 0.00001 0.00059 -0.00072 129 3S 0.00061 -0.00207 0.00097 -0.00802 0.02199 130 3PX -0.00058 0.00088 -0.00065 -0.00011 -0.00052 131 3PY 0.00014 -0.00070 -0.00051 -0.00064 -0.00572 132 3PZ 0.00053 -0.00074 0.00075 -0.00114 0.00434 133 4XX -0.00006 0.00013 0.00006 -0.00638 0.00605 134 4YY -0.00012 0.00007 -0.00004 -0.00640 0.00570 135 4ZZ -0.00004 0.00006 -0.00005 -0.00633 0.00594 136 4XY 0.00000 -0.00009 0.00004 -0.00008 -0.00006 137 4XZ 0.00004 -0.00008 -0.00016 -0.00016 0.00012 138 4YZ 0.00001 0.00008 0.00000 -0.00011 0.00002 139 18 H 1S 0.00003 0.00013 0.00006 -0.00022 0.00016 140 2S 0.00007 0.00009 0.00033 0.00146 -0.00017 141 19 O 1S 0.97031 0.20971 -0.00008 -0.00005 -0.00016 142 2S 0.02512 0.00550 -0.00007 -0.00002 -0.00050 143 2PX 0.00019 0.00004 0.00008 -0.00008 -0.00004 144 2PY 0.00084 0.00017 0.00000 0.00003 -0.00003 145 2PZ -0.00014 -0.00001 -0.00006 0.00006 0.00002 146 3S 0.01280 0.00259 0.00167 0.00068 0.00466 147 3PX 0.00041 -0.00001 -0.00058 0.00050 0.00093 148 3PY 0.00034 0.00016 -0.00011 -0.00053 0.00056 149 3PZ -0.00014 -0.00002 0.00044 -0.00018 -0.00017 150 4XX -0.00803 -0.00171 -0.00017 -0.00020 -0.00038 151 4YY -0.00810 -0.00178 -0.00050 -0.00006 -0.00044 152 4ZZ -0.00803 -0.00170 -0.00007 -0.00015 -0.00042 153 4XY 0.00002 -0.00001 0.00018 -0.00006 -0.00013 154 4XZ 0.00004 0.00003 0.00018 0.00029 0.00034 155 4YZ -0.00001 0.00000 -0.00016 0.00007 0.00012 156 20 O 1S -0.20969 0.97031 -0.00008 -0.00005 0.00016 157 2S -0.00536 0.02515 -0.00007 -0.00002 0.00050 158 2PX -0.00004 0.00019 0.00008 -0.00008 0.00004 159 2PY 0.00019 -0.00084 0.00000 -0.00003 -0.00003 160 2PZ 0.00005 -0.00013 -0.00006 0.00006 -0.00002 161 3S -0.00293 0.01273 0.00167 0.00071 -0.00466 162 3PX -0.00018 0.00036 -0.00058 0.00050 -0.00092 163 3PY -0.00001 -0.00037 0.00011 0.00052 0.00056 164 3PZ 0.00004 -0.00013 0.00044 -0.00018 0.00017 165 4XX 0.00176 -0.00802 -0.00017 -0.00020 0.00037 166 4YY 0.00172 -0.00811 -0.00050 -0.00007 0.00044 167 4ZZ 0.00177 -0.00802 -0.00007 -0.00015 0.00042 168 4XY 0.00001 -0.00001 -0.00018 0.00006 -0.00013 169 4XZ 0.00001 0.00005 0.00018 0.00029 -0.00034 170 4YZ 0.00000 0.00001 0.00016 -0.00007 0.00012 171 21 C 1S 0.00001 0.00002 0.99307 0.00001 0.00000 172 2S 0.00014 0.00022 0.04855 -0.00060 0.00000 173 2PX 0.00009 0.00014 0.00077 0.00006 0.00000 174 2PY -0.00033 0.00021 0.00000 0.00000 0.00013 175 2PZ -0.00009 -0.00014 -0.00052 -0.00005 0.00000 176 3S -0.00151 -0.00233 -0.01409 0.00255 0.00001 177 3PX -0.00027 -0.00042 -0.00090 0.00117 0.00000 178 3PY 0.00088 -0.00057 0.00000 0.00000 0.00010 179 3PZ 0.00025 0.00039 0.00027 -0.00089 0.00000 180 4XX 0.00007 0.00011 -0.00870 0.00008 0.00000 181 4YY 0.00024 0.00037 -0.00878 -0.00001 0.00000 182 4ZZ 0.00006 0.00010 -0.00871 -0.00004 0.00000 183 4XY -0.00015 0.00010 0.00000 0.00000 0.00000 184 4XZ -0.00006 -0.00010 0.00003 -0.00022 0.00000 185 4YZ 0.00015 -0.00009 0.00000 0.00000 0.00002 186 22 H 1S 0.00009 0.00015 -0.00018 -0.00010 0.00000 187 2S 0.00006 0.00009 0.00246 0.00002 0.00000 188 23 H 1S 0.00006 0.00010 -0.00008 -0.00011 0.00000 189 2S 0.00012 0.00019 0.00274 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18820 -10.18818 -10.18050 -10.18031 -10.16679 1 1 C 1S -0.63945 0.75981 -0.01154 -0.01150 -0.00959 2 2S -0.03391 0.03840 -0.00072 -0.00063 -0.00063 3 2PX 0.00030 -0.00016 0.00003 -0.00002 -0.00020 4 2PY -0.00061 0.00021 -0.00005 0.00000 -0.00008 5 2PZ -0.00002 -0.00005 -0.00012 0.00008 0.00009 6 3S 0.02436 -0.01558 0.00287 0.00401 0.00223 7 3PX 0.00022 0.00044 -0.00067 -0.00054 0.00102 8 3PY 0.00804 -0.00209 0.00035 0.00100 0.00056 9 3PZ 0.00007 0.00010 0.00171 0.00185 -0.00075 10 4XX 0.00533 -0.00687 -0.00004 0.00003 -0.00004 11 4YY 0.00520 -0.00663 0.00005 -0.00001 0.00009 12 4ZZ 0.00534 -0.00679 -0.00016 -0.00015 -0.00002 13 4XY -0.00007 0.00012 0.00003 0.00007 -0.00003 14 4XZ 0.00004 -0.00018 0.00004 0.00002 0.00008 15 4YZ -0.00001 -0.00001 -0.00005 -0.00003 0.00003 16 2 H 1S 0.00015 -0.00009 -0.00011 -0.00006 -0.00003 17 2S 0.00016 0.00168 -0.00005 -0.00007 0.00013 18 3 C 1S -0.00827 0.01008 -0.00050 -0.00042 0.70453 19 2S 0.00007 0.00008 -0.00022 -0.00022 0.03507 20 2PX 0.00005 0.00010 0.00005 0.00008 -0.00029 21 2PY -0.00013 0.00007 -0.00007 0.00004 -0.00016 22 2PZ 0.00009 -0.00016 -0.00010 -0.00007 0.00002 23 3S -0.01209 0.00441 0.00061 0.00048 -0.00780 24 3PX 0.00479 -0.00170 -0.00035 -0.00053 0.00103 25 3PY -0.00136 -0.00030 -0.00005 -0.00009 0.00062 26 3PZ -0.00484 0.00156 0.00032 0.00032 -0.00046 27 4XX 0.00017 -0.00020 -0.00008 -0.00005 -0.00670 28 4YY 0.00023 -0.00019 -0.00002 -0.00004 -0.00676 29 4ZZ 0.00019 -0.00024 -0.00003 -0.00003 -0.00664 30 4XY 0.00008 -0.00014 0.00007 0.00003 -0.00001 31 4XZ -0.00002 0.00002 -0.00005 -0.00004 -0.00012 32 4YZ -0.00010 0.00011 0.00000 0.00005 0.00002 33 4 H 1S -0.00010 -0.00007 0.00001 0.00001 -0.00033 34 2S -0.00137 0.00048 0.00023 0.00023 0.00132 35 5 C 1S 0.00987 0.00851 -0.00050 0.00041 0.69917 36 2S -0.00006 0.00009 -0.00022 0.00022 0.03479 37 2PX -0.00003 0.00011 0.00005 -0.00008 -0.00028 38 2PY -0.00014 -0.00005 0.00007 0.00004 0.00016 39 2PZ -0.00011 -0.00015 -0.00010 0.00007 0.00002 40 3S 0.01267 0.00228 0.00062 -0.00048 -0.00766 41 3PX -0.00501 -0.00085 -0.00035 0.00053 0.00100 42 3PY -0.00130 0.00053 0.00005 -0.00009 -0.00065 43 3PZ 0.00503 0.00071 0.00032 -0.00032 -0.00045 44 4XX -0.00020 -0.00017 -0.00008 0.00005 -0.00665 45 4YY -0.00026 -0.00014 -0.00002 0.00004 -0.00671 46 4ZZ -0.00022 -0.00021 -0.00003 0.00003 -0.00659 47 4XY 0.00011 0.00012 -0.00007 0.00003 0.00001 48 4XZ 0.00002 0.00002 -0.00005 0.00004 -0.00012 49 4YZ -0.00012 -0.00010 0.00000 0.00005 -0.00002 50 6 H 1S 0.00008 -0.00009 0.00001 -0.00001 -0.00032 51 2S 0.00143 0.00024 0.00023 -0.00022 0.00132 52 7 C 1S 0.76015 0.63904 -0.01163 0.01140 -0.00951 53 2S 0.03999 0.03202 -0.00073 0.00062 -0.00062 54 2PX -0.00032 -0.00011 0.00003 0.00002 -0.00020 55 2PY -0.00063 -0.00011 0.00005 0.00000 0.00008 56 2PZ 0.00001 -0.00005 -0.00012 -0.00008 0.00009 57 3S -0.02667 -0.01118 0.00290 -0.00398 0.00220 58 3PX -0.00014 0.00047 -0.00068 0.00053 0.00101 59 3PY 0.00828 0.00068 -0.00036 0.00100 -0.00054 60 3PZ -0.00005 0.00011 0.00172 -0.00183 -0.00075 61 4XX -0.00643 -0.00585 -0.00004 -0.00003 -0.00004 62 4YY -0.00626 -0.00564 0.00005 0.00001 0.00009 63 4ZZ -0.00643 -0.00577 -0.00017 0.00015 -0.00002 64 4XY -0.00009 -0.00011 -0.00004 0.00007 0.00003 65 4XZ -0.00007 -0.00017 0.00004 -0.00002 0.00008 66 4YZ -0.00001 0.00001 0.00005 -0.00003 -0.00003 67 8 H 1S -0.00016 -0.00007 -0.00011 0.00006 -0.00003 68 2S 0.00013 0.00168 -0.00005 0.00007 0.00013 69 9 C 1S 0.01221 0.01041 0.70497 -0.69932 0.00027 70 2S 0.00016 0.00034 0.03545 -0.03590 -0.00017 71 2PX -0.00007 -0.00002 -0.00002 0.00002 -0.00012 72 2PY -0.00008 0.00001 0.00001 0.00006 0.00005 73 2PZ -0.00028 0.00007 -0.00016 0.00020 0.00004 74 3S 0.00948 0.00227 -0.01074 0.02000 0.00043 75 3PX 0.00221 0.00015 0.00006 -0.00001 0.00041 76 3PY -0.00067 0.00046 -0.00116 -0.00283 0.00000 77 3PZ -0.00372 -0.00110 0.00090 -0.00200 -0.00025 78 4XX -0.00018 -0.00022 -0.00631 0.00600 -0.00008 79 4YY -0.00022 -0.00021 -0.00665 0.00592 -0.00005 80 4ZZ -0.00019 -0.00028 -0.00639 0.00609 0.00000 81 4XY -0.00006 -0.00004 0.00001 0.00000 0.00000 82 4XZ 0.00005 0.00005 0.00002 -0.00004 -0.00004 83 4YZ 0.00018 0.00016 0.00005 0.00006 -0.00001 84 10 H 1S -0.00042 -0.00008 -0.00009 -0.00021 -0.00005 85 2S -0.00013 0.00014 0.00174 -0.00171 -0.00016 86 11 H 1S -0.00020 -0.00009 -0.00008 -0.00033 0.00000 87 2S 0.00062 0.00004 0.00217 -0.00206 0.00033 88 12 C 1S -0.01025 0.01235 0.69907 0.70522 0.00027 89 2S -0.00010 0.00036 0.03515 0.03619 -0.00017 90 2PX 0.00007 -0.00003 -0.00002 -0.00002 -0.00012 91 2PY -0.00008 0.00000 -0.00001 0.00006 -0.00005 92 2PZ 0.00028 0.00002 -0.00016 -0.00020 0.00004 93 3S -0.00895 0.00386 -0.01057 -0.02009 0.00043 94 3PX -0.00215 0.00053 0.00006 0.00001 0.00041 95 3PY -0.00075 -0.00034 0.00119 -0.00282 0.00000 96 3PZ 0.00348 -0.00172 0.00089 0.00201 -0.00025 97 4XX 0.00014 -0.00025 -0.00626 -0.00605 -0.00008 98 4YY 0.00018 -0.00025 -0.00660 -0.00598 -0.00005 99 4ZZ 0.00014 -0.00031 -0.00634 -0.00614 0.00000 100 4XY -0.00005 0.00005 -0.00001 0.00000 0.00000 101 4XZ -0.00004 0.00006 0.00002 0.00004 -0.00004 102 4YZ 0.00015 -0.00018 -0.00005 0.00006 0.00001 103 13 H 1S 0.00018 -0.00013 -0.00008 0.00033 0.00001 104 2S -0.00061 0.00014 0.00215 0.00207 0.00034 105 14 H 1S 0.00040 -0.00015 -0.00009 0.00021 -0.00005 106 2S 0.00015 0.00012 0.00172 0.00172 -0.00016 107 15 C 1S 0.00027 -0.00019 0.00002 -0.00002 0.00000 108 2S 0.00153 -0.00080 -0.00012 -0.00037 -0.00015 109 2PX 0.00007 -0.00002 -0.00002 -0.00001 -0.00016 110 2PY -0.00010 -0.00008 -0.00014 0.00001 0.00000 111 2PZ 0.00006 -0.00001 -0.00016 -0.00022 0.00000 112 3S -0.01122 0.00394 0.00009 0.00317 0.00018 113 3PX -0.00058 0.00053 -0.00029 -0.00094 0.00097 114 3PY -0.00247 -0.00044 0.00050 0.00202 0.00012 115 3PZ -0.00454 0.00135 0.00070 0.00203 -0.00034 116 4XX -0.00001 -0.00001 -0.00013 -0.00014 -0.00010 117 4YY 0.00022 -0.00017 -0.00009 -0.00007 -0.00008 118 4ZZ 0.00019 -0.00015 -0.00007 -0.00012 -0.00017 119 4XY -0.00002 -0.00006 0.00002 0.00004 -0.00006 120 4XZ -0.00005 0.00009 -0.00004 -0.00007 0.00008 121 4YZ -0.00002 -0.00007 -0.00005 0.00004 0.00006 122 16 H 1S 0.00018 -0.00015 0.00008 0.00013 -0.00014 123 2S -0.00081 -0.00018 0.00057 0.00113 -0.00007 124 17 C 1S -0.00030 -0.00015 0.00002 0.00002 0.00000 125 2S -0.00164 -0.00052 -0.00013 0.00037 -0.00015 126 2PX -0.00007 0.00000 -0.00002 0.00001 -0.00016 127 2PY -0.00008 0.00009 0.00014 0.00001 0.00000 128 2PZ -0.00006 0.00000 -0.00016 0.00022 0.00000 129 3S 0.01173 0.00196 0.00012 -0.00317 0.00019 130 3PX 0.00066 0.00042 -0.00030 0.00094 0.00096 131 3PY -0.00236 0.00086 -0.00052 0.00201 -0.00012 132 3PZ 0.00471 0.00055 0.00071 -0.00203 -0.00033 133 4XX 0.00001 -0.00001 -0.00013 0.00014 -0.00010 134 4YY -0.00024 -0.00013 -0.00009 0.00007 -0.00008 135 4ZZ -0.00021 -0.00012 -0.00008 0.00012 -0.00017 136 4XY -0.00001 0.00006 -0.00002 0.00004 0.00006 137 4XZ 0.00006 0.00008 -0.00004 0.00007 0.00008 138 4YZ -0.00001 0.00007 0.00005 0.00004 -0.00006 139 18 H 1S -0.00020 -0.00012 0.00008 -0.00013 -0.00013 140 2S 0.00077 -0.00032 0.00058 -0.00113 -0.00007 141 19 O 1S -0.00011 0.00004 0.00005 -0.00001 -0.00004 142 2S -0.00056 0.00021 0.00023 0.00000 -0.00018 143 2PX -0.00004 0.00001 -0.00001 -0.00005 0.00000 144 2PY -0.00002 0.00001 0.00001 -0.00005 -0.00001 145 2PZ -0.00001 -0.00004 0.00002 -0.00002 0.00003 146 3S 0.00375 -0.00131 -0.00128 -0.00067 0.00094 147 3PX 0.00150 -0.00059 -0.00012 -0.00029 0.00025 148 3PY 0.00060 -0.00007 -0.00040 -0.00006 0.00015 149 3PZ -0.00037 0.00040 -0.00016 0.00022 -0.00030 150 4XX -0.00012 0.00006 0.00015 -0.00008 -0.00008 151 4YY -0.00030 0.00010 0.00006 -0.00005 -0.00010 152 4ZZ -0.00034 0.00017 0.00014 -0.00005 -0.00008 153 4XY 0.00009 -0.00003 -0.00002 -0.00002 0.00004 154 4XZ -0.00004 0.00004 0.00001 -0.00001 -0.00005 155 4YZ 0.00000 -0.00001 -0.00001 0.00005 -0.00004 156 20 O 1S 0.00012 0.00002 0.00005 0.00001 -0.00004 157 2S 0.00059 0.00011 0.00023 0.00001 -0.00017 158 2PX 0.00004 0.00000 -0.00001 0.00005 0.00000 159 2PY -0.00002 -0.00001 -0.00001 -0.00005 0.00001 160 2PZ 0.00001 -0.00004 0.00002 0.00002 0.00003 161 3S -0.00392 -0.00065 -0.00128 0.00066 0.00092 162 3PX -0.00157 -0.00032 -0.00012 0.00029 0.00024 163 3PY 0.00061 -0.00003 0.00040 -0.00006 -0.00015 164 3PZ 0.00043 0.00033 -0.00016 -0.00022 -0.00030 165 4XX 0.00013 0.00004 0.00015 0.00009 -0.00008 166 4YY 0.00032 0.00005 0.00006 0.00005 -0.00010 167 4ZZ 0.00037 0.00011 0.00014 0.00006 -0.00008 168 4XY 0.00009 0.00001 0.00002 -0.00002 -0.00004 169 4XZ 0.00004 0.00003 0.00001 0.00001 -0.00005 170 4YZ 0.00000 0.00001 0.00001 0.00005 0.00004 171 21 C 1S 0.00000 0.00002 -0.00001 0.00000 -0.00001 172 2S 0.00002 0.00020 -0.00010 0.00000 -0.00007 173 2PX 0.00001 0.00013 -0.00007 0.00000 0.00001 174 2PY 0.00014 -0.00001 0.00000 0.00001 0.00000 175 2PZ 0.00001 0.00006 -0.00011 0.00000 0.00005 176 3S -0.00008 -0.00089 0.00120 0.00000 0.00029 177 3PX -0.00007 -0.00077 0.00059 0.00000 -0.00004 178 3PY -0.00035 0.00003 0.00000 0.00028 0.00000 179 3PZ -0.00003 -0.00040 0.00045 0.00000 -0.00013 180 4XX 0.00001 0.00008 -0.00010 0.00000 -0.00002 181 4YY 0.00000 0.00005 0.00001 0.00000 0.00000 182 4ZZ 0.00001 0.00008 -0.00004 0.00000 -0.00004 183 4XY 0.00004 0.00000 0.00000 0.00005 0.00000 184 4XZ 0.00000 0.00003 -0.00002 0.00000 0.00000 185 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 -0.00005 0.00000 0.00000 -0.00003 187 2S -0.00003 -0.00032 0.00024 0.00000 -0.00009 188 23 H 1S 0.00001 0.00013 -0.00006 0.00000 0.00002 189 2S 0.00003 0.00039 -0.00089 0.00000 -0.00002 11 12 13 14 15 O O O O O Eigenvalues -- -10.16628 -1.08808 -0.99938 -0.83508 -0.76056 1 1 C 1S 0.00934 -0.00350 0.00426 -0.09169 0.01458 2 2S 0.00057 0.00424 -0.00164 0.16956 -0.02959 3 2PX 0.00008 -0.00314 0.00322 0.02090 -0.01385 4 2PY 0.00010 0.00118 0.00050 0.04684 -0.00906 5 2PZ 0.00001 -0.00056 0.00104 0.00241 -0.02526 6 3S -0.00472 0.01163 -0.03318 0.13676 -0.01353 7 3PX -0.00109 -0.00012 0.00449 0.00039 -0.00067 8 3PY -0.00194 0.00451 -0.01660 0.01694 0.00261 9 3PZ 0.00047 -0.00172 -0.00139 -0.00205 -0.01021 10 4XX 0.00011 0.00051 -0.00054 -0.00526 0.00218 11 4YY 0.00007 -0.00036 0.00088 0.00069 -0.00030 12 4ZZ 0.00004 -0.00025 0.00075 -0.00070 -0.00123 13 4XY 0.00005 -0.00014 0.00021 0.00331 -0.00109 14 4XZ -0.00015 0.00009 -0.00002 -0.00540 0.00269 15 4YZ -0.00007 -0.00015 0.00006 0.00055 -0.00223 16 2 H 1S -0.00003 0.00106 -0.00181 0.03709 -0.00422 17 2S -0.00028 0.00227 -0.00533 0.00647 0.00056 18 3 C 1S -0.69947 -0.00094 0.00031 -0.09186 0.01258 19 2S -0.03561 0.00375 -0.00364 0.17474 -0.02311 20 2PX 0.00031 -0.00151 0.00100 -0.04116 -0.00123 21 2PY -0.00021 0.00057 0.00087 0.02795 -0.00390 22 2PZ -0.00010 0.00031 -0.00015 0.03303 -0.01097 23 3S 0.01816 -0.00650 0.02762 0.10354 -0.02383 24 3PX -0.00293 0.00401 -0.01211 -0.00026 0.00240 25 3PY 0.00390 0.00009 0.00996 0.00207 0.00033 26 3PZ 0.00213 -0.00168 0.00751 -0.00223 -0.00390 27 4XX 0.00639 0.00008 0.00000 -0.00361 0.00147 28 4YY 0.00609 0.00030 -0.00002 0.00259 -0.00034 29 4ZZ 0.00632 0.00036 -0.00036 -0.00367 0.00009 30 4XY -0.00012 -0.00007 -0.00025 0.00007 -0.00030 31 4XZ 0.00014 0.00004 -0.00016 -0.00696 0.00166 32 4YZ 0.00002 0.00002 0.00007 0.00033 -0.00009 33 4 H 1S 0.00029 0.00033 -0.00007 0.03484 -0.00497 34 2S -0.00049 -0.00067 0.00394 0.00122 -0.00115 35 5 C 1S 0.70483 -0.00094 -0.00031 -0.09187 0.01256 36 2S 0.03588 0.00376 0.00364 0.17474 -0.02308 37 2PX -0.00032 -0.00151 -0.00100 -0.04116 -0.00125 38 2PY -0.00021 -0.00057 0.00087 -0.02796 0.00392 39 2PZ 0.00010 0.00031 0.00015 0.03303 -0.01097 40 3S -0.01821 -0.00650 -0.02762 0.10354 -0.02382 41 3PX 0.00294 0.00401 0.01211 -0.00025 0.00240 42 3PY 0.00390 -0.00009 0.00997 -0.00207 -0.00032 43 3PZ -0.00213 -0.00168 -0.00751 -0.00224 -0.00390 44 4XX -0.00644 0.00008 0.00000 -0.00361 0.00147 45 4YY -0.00615 0.00030 0.00002 0.00259 -0.00034 46 4ZZ -0.00637 0.00036 0.00036 -0.00367 0.00009 47 4XY -0.00012 0.00007 -0.00025 -0.00007 0.00029 48 4XZ -0.00014 0.00004 0.00016 -0.00696 0.00166 49 4YZ 0.00002 -0.00002 0.00006 -0.00033 0.00009 50 6 H 1S -0.00029 0.00033 0.00007 0.03484 -0.00496 51 2S 0.00050 -0.00067 -0.00394 0.00121 -0.00115 52 7 C 1S -0.00941 -0.00350 -0.00426 -0.09169 0.01455 53 2S -0.00058 0.00424 0.00165 0.16957 -0.02953 54 2PX -0.00008 -0.00314 -0.00322 0.02091 -0.01385 55 2PY 0.00010 -0.00118 0.00050 -0.04684 0.00906 56 2PZ -0.00001 -0.00056 -0.00104 0.00240 -0.02526 57 3S 0.00474 0.01163 0.03319 0.13678 -0.01348 58 3PX 0.00110 -0.00011 -0.00449 0.00040 -0.00067 59 3PY -0.00195 -0.00451 -0.01660 -0.01695 -0.00261 60 3PZ -0.00047 -0.00172 0.00138 -0.00206 -0.01021 61 4XX -0.00011 0.00051 0.00054 -0.00526 0.00218 62 4YY -0.00007 -0.00036 -0.00088 0.00068 -0.00030 63 4ZZ -0.00004 -0.00025 -0.00075 -0.00070 -0.00123 64 4XY 0.00005 0.00014 0.00021 -0.00331 0.00109 65 4XZ 0.00015 0.00009 0.00002 -0.00540 0.00269 66 4YZ -0.00007 0.00015 0.00006 -0.00055 0.00223 67 8 H 1S 0.00003 0.00106 0.00181 0.03709 -0.00420 68 2S 0.00028 0.00227 0.00533 0.00647 0.00057 69 9 C 1S 0.00019 -0.00262 -0.00165 -0.08043 0.04374 70 2S -0.00015 0.00429 0.00398 0.15082 -0.08326 71 2PX -0.00008 -0.00180 -0.00197 0.01352 -0.00536 72 2PY -0.00004 -0.00008 0.00141 -0.02005 0.01405 73 2PZ 0.00010 -0.00186 -0.00111 -0.03659 -0.00100 74 3S -0.00026 0.00025 -0.01383 0.11040 -0.06577 75 3PX 0.00032 -0.00147 -0.00124 0.00188 -0.00030 76 3PY -0.00007 -0.00127 0.00157 -0.00200 0.00515 77 3PZ 0.00000 -0.00045 0.00518 -0.00120 0.00015 78 4XX -0.00006 0.00026 0.00055 -0.00240 0.00063 79 4YY -0.00005 -0.00003 -0.00028 0.00156 -0.00107 80 4ZZ -0.00002 -0.00007 -0.00005 0.00117 0.00159 81 4XY -0.00005 0.00007 -0.00005 0.00020 0.00007 82 4XZ -0.00001 0.00046 0.00060 -0.00197 0.00056 83 4YZ 0.00002 -0.00010 -0.00019 -0.00017 -0.00037 84 10 H 1S -0.00005 0.00063 0.00069 0.03682 -0.02608 85 2S -0.00008 0.00090 0.00012 0.00252 -0.00631 86 11 H 1S 0.00001 0.00299 0.00378 0.03507 -0.02462 87 2S 0.00032 0.00219 0.00232 0.00090 -0.00815 88 12 C 1S -0.00019 -0.00262 0.00165 -0.08043 0.04376 89 2S 0.00015 0.00429 -0.00398 0.15082 -0.08328 90 2PX 0.00008 -0.00180 0.00197 0.01352 -0.00536 91 2PY -0.00004 0.00008 0.00141 0.02006 -0.01404 92 2PZ -0.00010 -0.00186 0.00111 -0.03658 -0.00099 93 3S 0.00026 0.00025 0.01383 0.11040 -0.06578 94 3PX -0.00032 -0.00147 0.00125 0.00188 -0.00030 95 3PY -0.00007 0.00128 0.00157 0.00200 -0.00515 96 3PZ 0.00000 -0.00045 -0.00518 -0.00120 0.00015 97 4XX 0.00006 0.00026 -0.00055 -0.00240 0.00063 98 4YY 0.00005 -0.00003 0.00028 0.00156 -0.00107 99 4ZZ 0.00002 -0.00007 0.00005 0.00117 0.00159 100 4XY -0.00005 -0.00007 -0.00005 -0.00020 -0.00007 101 4XZ 0.00001 0.00046 -0.00060 -0.00197 0.00056 102 4YZ 0.00002 0.00010 -0.00019 0.00017 0.00037 103 13 H 1S -0.00001 0.00300 -0.00378 0.03507 -0.02463 104 2S -0.00032 0.00219 -0.00232 0.00090 -0.00816 105 14 H 1S 0.00005 0.00063 -0.00069 0.03681 -0.02609 106 2S 0.00008 0.00090 -0.00012 0.00252 -0.00631 107 15 C 1S 0.00000 -0.05638 0.04369 -0.03257 -0.11998 108 2S 0.00002 0.10539 -0.08736 0.06491 0.24085 109 2PX 0.00010 -0.05780 0.05828 0.02172 -0.01749 110 2PY -0.00004 0.00889 0.04387 0.01704 0.06511 111 2PZ -0.00004 0.04227 -0.04279 0.00301 -0.01071 112 3S 0.00079 0.03627 0.01261 0.04237 0.17437 113 3PX -0.00205 0.00345 -0.01781 0.00482 0.00341 114 3PY 0.00038 0.00019 0.01933 0.00201 0.00946 115 3PZ 0.00157 -0.00402 0.02696 -0.00040 -0.00459 116 4XX 0.00007 0.00366 -0.00623 -0.00185 -0.00941 117 4YY 0.00007 -0.00089 0.00787 0.00172 0.00679 118 4ZZ 0.00009 -0.00108 -0.00159 -0.00137 -0.00773 119 4XY -0.00003 0.00214 -0.00594 -0.00016 0.00009 120 4XZ -0.00007 -0.01064 0.01091 0.00114 -0.00434 121 4YZ -0.00006 -0.00089 0.00346 0.00118 0.00229 122 16 H 1S 0.00029 0.01383 -0.01630 0.01893 0.06702 123 2S 0.00044 -0.00291 0.00852 0.00229 0.01229 124 17 C 1S 0.00000 -0.05638 -0.04369 -0.03257 -0.11999 125 2S -0.00003 0.10538 0.08737 0.06492 0.24086 126 2PX -0.00010 -0.05779 -0.05828 0.02172 -0.01749 127 2PY -0.00004 -0.00891 0.04386 -0.01703 -0.06511 128 2PZ 0.00004 0.04226 0.04280 0.00300 -0.01073 129 3S -0.00079 0.03627 -0.01261 0.04238 0.17439 130 3PX 0.00206 0.00345 0.01781 0.00482 0.00342 131 3PY 0.00038 -0.00020 0.01933 -0.00200 -0.00946 132 3PZ -0.00157 -0.00402 -0.02696 -0.00040 -0.00459 133 4XX -0.00007 0.00366 0.00623 -0.00185 -0.00941 134 4YY -0.00008 -0.00089 -0.00787 0.00172 0.00679 135 4ZZ -0.00009 -0.00108 0.00159 -0.00137 -0.00773 136 4XY -0.00003 -0.00214 -0.00593 0.00016 -0.00009 137 4XZ 0.00008 -0.01064 -0.01091 0.00114 -0.00434 138 4YZ -0.00006 0.00089 0.00346 -0.00118 -0.00229 139 18 H 1S -0.00029 0.01383 0.01630 0.01893 0.06703 140 2S -0.00044 -0.00291 -0.00852 0.00229 0.01229 141 19 O 1S 0.00006 -0.13160 0.15241 0.01286 0.01406 142 2S 0.00031 0.28409 -0.33374 -0.02906 -0.03273 143 2PX 0.00001 0.01983 -0.02766 0.02473 0.11595 144 2PY 0.00000 0.08319 -0.05808 -0.01106 -0.03206 145 2PZ -0.00003 -0.01132 0.01735 -0.01197 -0.09707 146 3S -0.00198 0.29422 -0.36335 -0.03429 -0.03845 147 3PX -0.00050 0.00847 -0.02300 0.01116 0.05257 148 3PY -0.00025 0.05300 -0.03746 -0.00640 -0.01447 149 3PZ 0.00044 -0.00418 0.01273 -0.00535 -0.04513 150 4XX 0.00013 -0.00151 -0.00004 0.00164 0.00327 151 4YY 0.00019 0.00678 0.00067 -0.00146 -0.00536 152 4ZZ 0.00016 -0.00501 0.00427 0.00067 0.00154 153 4XY -0.00004 -0.00030 -0.00145 0.00251 0.01100 154 4XZ 0.00004 -0.00753 0.00809 -0.00020 -0.00381 155 4YZ 0.00004 0.00115 0.00026 -0.00148 -0.00925 156 20 O 1S -0.00007 -0.13158 -0.15242 0.01287 0.01406 157 2S -0.00031 0.28406 0.33375 -0.02906 -0.03274 158 2PX -0.00001 0.01983 0.02766 0.02473 0.11595 159 2PY 0.00000 -0.08318 -0.05809 0.01106 0.03209 160 2PZ 0.00003 -0.01134 -0.01736 -0.01197 -0.09706 161 3S 0.00199 0.29419 0.36337 -0.03431 -0.03846 162 3PX 0.00050 0.00847 0.02300 0.01116 0.05257 163 3PY -0.00025 -0.05299 -0.03746 0.00640 0.01448 164 3PZ -0.00044 -0.00419 -0.01274 -0.00534 -0.04513 165 4XX -0.00013 -0.00151 0.00004 0.00164 0.00327 166 4YY -0.00019 0.00678 -0.00067 -0.00146 -0.00536 167 4ZZ -0.00016 -0.00501 -0.00427 0.00067 0.00155 168 4XY -0.00004 0.00030 -0.00145 -0.00251 -0.01100 169 4XZ -0.00004 -0.00753 -0.00810 -0.00020 -0.00382 170 4YZ 0.00004 -0.00115 0.00026 0.00148 0.00925 171 21 C 1S 0.00000 -0.08050 0.00000 0.02323 0.11250 172 2S 0.00000 0.15611 0.00001 -0.04843 -0.23458 173 2PX 0.00000 0.06239 0.00000 -0.00427 0.00530 174 2PY -0.00003 0.00000 0.11949 0.00000 0.00000 175 2PZ 0.00000 -0.05124 0.00001 0.00826 -0.00692 176 3S 0.00000 0.03112 0.00000 -0.02839 -0.17371 177 3PX 0.00000 -0.00955 0.00000 0.00529 0.00682 178 3PY 0.00008 0.00000 0.00752 0.00000 0.00000 179 3PZ 0.00000 0.01048 0.00000 -0.00040 -0.00798 180 4XX 0.00000 0.00017 0.00000 0.00117 0.00444 181 4YY 0.00000 0.00686 0.00000 -0.00156 -0.00232 182 4ZZ 0.00000 -0.00290 0.00000 0.00066 0.00314 183 4XY 0.00001 0.00000 0.01777 0.00000 0.00000 184 4XZ 0.00000 -0.00824 0.00000 0.00028 -0.00418 185 4YZ 0.00001 0.00000 -0.01491 0.00000 0.00000 186 22 H 1S 0.00000 0.02579 0.00000 -0.01291 -0.07329 187 2S 0.00000 0.00165 0.00000 -0.00023 -0.01637 188 23 H 1S 0.00000 0.02612 0.00000 -0.01072 -0.07571 189 2S 0.00000 -0.00121 0.00000 0.00166 -0.01750 16 17 18 19 20 O O O O O Eigenvalues -- -0.73413 -0.73231 -0.64131 -0.61238 -0.59943 1 1 C 1S -0.01000 0.12479 0.00024 0.00397 0.02246 2 2S 0.01895 -0.24120 -0.00208 -0.00997 -0.04717 3 2PX 0.06177 -0.02296 -0.01765 0.01350 -0.09997 4 2PY 0.01231 -0.00563 0.00235 -0.00334 -0.00833 5 2PZ -0.08876 -0.00485 -0.00814 -0.08422 0.12188 6 3S 0.01746 -0.21197 0.00886 0.00255 -0.04074 7 3PX 0.00958 -0.00305 -0.00013 0.00270 -0.02521 8 3PY 0.00544 -0.00213 0.00645 0.00282 0.00162 9 3PZ -0.01479 0.00452 -0.00423 -0.03097 0.02914 10 4XX 0.00198 0.00649 -0.00089 0.00321 -0.00179 11 4YY 0.00045 0.00091 0.00012 -0.00001 -0.00051 12 4ZZ -0.00513 0.00124 0.00018 -0.00349 0.00581 13 4XY 0.00527 -0.00371 -0.00189 0.00116 -0.00390 14 4XZ -0.00204 0.00603 0.00146 0.00206 0.00365 15 4YZ -0.00733 -0.00116 -0.00081 -0.00306 0.00469 16 2 H 1S 0.00172 -0.07828 -0.00005 0.00193 -0.01152 17 2S 0.00111 -0.01823 -0.00143 0.00371 -0.00163 18 3 C 1S -0.10843 0.06339 0.01846 -0.02295 0.07959 19 2S 0.20953 -0.12559 -0.03691 0.04656 -0.16142 20 2PX -0.00773 0.04511 -0.01550 -0.00979 0.01727 21 2PY 0.05110 0.07651 -0.01042 -0.02970 0.10295 22 2PZ -0.00757 -0.03708 -0.00037 -0.00909 -0.00298 23 3S 0.15816 -0.07109 -0.03573 0.02990 -0.12911 24 3PX 0.00097 -0.00715 -0.00400 0.00458 -0.00748 25 3PY 0.00444 0.01915 -0.00066 -0.00732 0.03875 26 3PZ -0.00727 0.00942 -0.00311 -0.00900 0.01427 27 4XX -0.00625 -0.00053 0.00246 0.00023 0.00097 28 4YY 0.00474 0.00629 -0.00128 -0.00220 0.00721 29 4ZZ -0.00666 -0.00050 0.00022 -0.00123 0.00090 30 4XY -0.00114 -0.00397 -0.00010 0.00053 -0.00047 31 4XZ -0.00511 0.00717 0.00154 -0.00103 0.00644 32 4YZ 0.00169 0.00275 -0.00051 0.00133 -0.00153 33 4 H 1S 0.06197 -0.03729 -0.01524 0.02448 -0.08073 34 2S 0.01301 -0.00267 -0.00580 0.00883 -0.02761 35 5 C 1S -0.10842 -0.06341 0.01845 0.02294 -0.07961 36 2S 0.20951 0.12562 -0.03690 -0.04653 0.16146 37 2PX -0.00771 -0.04512 -0.01551 0.00981 -0.01727 38 2PY -0.05111 0.07649 0.01042 -0.02973 0.10291 39 2PZ -0.00759 0.03709 -0.00037 0.00908 0.00298 40 3S 0.15815 0.07111 -0.03573 -0.02987 0.12914 41 3PX 0.00097 0.00714 -0.00399 -0.00458 0.00748 42 3PY -0.00444 0.01916 0.00067 -0.00733 0.03875 43 3PZ -0.00726 -0.00942 -0.00312 0.00900 -0.01427 44 4XX -0.00625 0.00053 0.00246 -0.00023 -0.00097 45 4YY 0.00474 -0.00629 -0.00129 0.00220 -0.00721 46 4ZZ -0.00666 0.00050 0.00022 0.00123 -0.00090 47 4XY 0.00114 -0.00396 0.00010 0.00053 -0.00047 48 4XZ -0.00510 -0.00718 0.00154 0.00103 -0.00644 49 4YZ -0.00169 0.00275 0.00050 0.00133 -0.00153 50 6 H 1S 0.06197 0.03730 -0.01524 -0.02447 0.08075 51 2S 0.01301 0.00267 -0.00580 -0.00882 0.02761 52 7 C 1S -0.00998 -0.12479 0.00024 -0.00394 -0.02243 53 2S 0.01891 0.24121 -0.00209 0.00992 0.04712 54 2PX 0.06176 0.02298 -0.01765 -0.01348 0.09997 55 2PY -0.01227 -0.00563 -0.00235 -0.00339 -0.00830 56 2PZ -0.08876 0.00484 -0.00816 0.08423 -0.12188 57 3S 0.01742 0.21197 0.00886 -0.00259 0.04070 58 3PX 0.00957 0.00306 -0.00012 -0.00269 0.02521 59 3PY -0.00543 -0.00213 -0.00646 0.00280 0.00162 60 3PZ -0.01479 -0.00453 -0.00424 0.03098 -0.02913 61 4XX 0.00198 -0.00649 -0.00089 -0.00321 0.00179 62 4YY 0.00045 -0.00091 0.00012 0.00001 0.00050 63 4ZZ -0.00512 -0.00124 0.00018 0.00349 -0.00580 64 4XY -0.00527 -0.00371 0.00190 0.00116 -0.00390 65 4XZ -0.00204 -0.00603 0.00147 -0.00206 -0.00365 66 4YZ 0.00733 -0.00116 0.00081 -0.00307 0.00469 67 8 H 1S 0.00171 0.07828 -0.00006 -0.00196 0.01149 68 2S 0.00111 0.01823 -0.00144 -0.00372 0.00162 69 9 C 1S 0.10658 -0.06476 0.00533 -0.06162 0.07785 70 2S -0.20481 0.12567 -0.00939 0.12346 -0.15826 71 2PX 0.00994 0.01510 -0.00847 0.00234 0.01353 72 2PY 0.03917 0.06372 -0.00062 0.06301 -0.08062 73 2PZ -0.01562 -0.04382 -0.00528 0.00714 -0.01423 74 3S -0.18052 0.10371 -0.01190 0.11978 -0.15197 75 3PX 0.00629 0.00645 -0.00450 -0.00356 0.00947 76 3PY 0.00560 0.01883 -0.00049 0.01726 -0.03454 77 3PZ -0.00586 -0.00281 0.00123 0.00608 -0.01484 78 4XX 0.00098 0.00056 0.00007 0.00276 -0.00388 79 4YY -0.00361 -0.00733 0.00001 -0.00691 0.00871 80 4ZZ 0.00475 0.00539 0.00043 0.00010 0.00033 81 4XY 0.00044 0.00129 0.00026 0.00012 0.00128 82 4XZ -0.00197 -0.00239 0.00015 0.00045 -0.00237 83 4YZ -0.00137 -0.00375 0.00025 0.00130 -0.00183 84 10 H 1S -0.06330 0.04063 -0.00727 0.05718 -0.07088 85 2S -0.01499 0.00577 -0.00294 0.02241 -0.02580 86 11 H 1S -0.06629 0.03955 0.00003 0.05577 -0.07742 87 2S -0.01108 0.00803 -0.00103 0.02329 -0.02484 88 12 C 1S 0.10657 0.06478 0.00532 0.06161 -0.07786 89 2S -0.20479 -0.12570 -0.00936 -0.12344 0.15828 90 2PX 0.00995 -0.01511 -0.00847 -0.00235 -0.01353 91 2PY -0.03918 0.06370 0.00061 0.06303 -0.08061 92 2PZ -0.01564 0.04384 -0.00528 -0.00711 0.01422 93 3S -0.18051 -0.10373 -0.01187 -0.11977 0.15198 94 3PX 0.00629 -0.00644 -0.00450 0.00356 -0.00948 95 3PY -0.00560 0.01883 0.00049 0.01726 -0.03454 96 3PZ -0.00586 0.00281 0.00123 -0.00607 0.01484 97 4XX 0.00098 -0.00056 0.00007 -0.00276 0.00387 98 4YY -0.00362 0.00733 0.00001 0.00691 -0.00871 99 4ZZ 0.00475 -0.00539 0.00043 -0.00010 -0.00033 100 4XY -0.00044 0.00129 -0.00026 0.00012 0.00128 101 4XZ -0.00197 0.00239 0.00015 -0.00045 0.00237 102 4YZ 0.00137 -0.00374 -0.00025 0.00130 -0.00183 103 13 H 1S -0.06628 -0.03956 0.00004 -0.05576 0.07743 104 2S -0.01108 -0.00803 -0.00103 -0.02329 0.02484 105 14 H 1S -0.06330 -0.04063 -0.00726 -0.05717 0.07089 106 2S -0.01499 -0.00578 -0.00293 -0.02240 0.02581 107 15 C 1S 0.01747 0.01775 -0.07097 -0.08781 -0.04649 108 2S -0.03513 -0.03190 0.14491 0.18006 0.09460 109 2PX 0.01044 -0.01873 0.08177 -0.01563 -0.01863 110 2PY -0.00943 0.02197 0.15171 -0.12182 -0.06468 111 2PZ -0.00824 -0.00127 -0.07424 -0.02500 -0.00339 112 3S -0.02791 -0.04794 0.13021 0.17902 0.10392 113 3PX 0.00188 -0.00588 0.02270 0.00682 -0.00827 114 3PY -0.00061 -0.00306 0.02757 -0.02448 -0.01023 115 3PZ -0.00291 -0.00723 -0.01787 -0.01058 0.00468 116 4XX 0.00251 0.00037 -0.01324 -0.00266 -0.00280 117 4YY -0.00094 0.00133 0.00729 -0.00484 -0.00264 118 4ZZ -0.00002 0.00034 -0.00580 -0.00085 0.00058 119 4XY -0.00031 0.00169 -0.00771 0.00232 0.00250 120 4XZ 0.00044 -0.00095 0.00631 -0.00620 -0.00366 121 4YZ -0.00013 -0.00053 0.00706 0.00513 0.00148 122 16 H 1S -0.00553 -0.02085 0.04664 0.11446 0.05442 123 2S 0.00013 -0.00905 0.01220 0.04887 0.02452 124 17 C 1S 0.01747 -0.01772 -0.07098 0.08779 0.04649 125 2S -0.03513 0.03184 0.14493 -0.18003 -0.09460 126 2PX 0.01044 0.01874 0.08177 0.01564 0.01864 127 2PY 0.00943 0.02199 -0.15167 -0.12186 -0.06467 128 2PZ -0.00823 0.00128 -0.07428 0.02496 0.00337 129 3S -0.02791 0.04790 0.13024 -0.17899 -0.10392 130 3PX 0.00188 0.00588 0.02270 -0.00682 0.00828 131 3PY 0.00061 -0.00305 -0.02756 -0.02450 -0.01023 132 3PZ -0.00291 0.00723 -0.01788 0.01057 -0.00468 133 4XX 0.00251 -0.00037 -0.01324 0.00266 0.00280 134 4YY -0.00094 -0.00134 0.00729 0.00485 0.00264 135 4ZZ -0.00002 -0.00034 -0.00580 0.00085 -0.00058 136 4XY 0.00031 0.00169 0.00771 0.00232 0.00250 137 4XZ 0.00044 0.00095 0.00632 0.00620 0.00366 138 4YZ 0.00013 -0.00053 -0.00705 0.00513 0.00148 139 18 H 1S -0.00553 0.02083 0.04666 -0.11445 -0.05442 140 2S 0.00013 0.00904 0.01221 -0.04886 -0.02452 141 19 O 1S -0.00317 -0.01146 0.07181 0.02432 0.01582 142 2S 0.00736 0.02529 -0.16626 -0.05515 -0.03643 143 2PX -0.03191 -0.02190 -0.07463 0.15280 0.10565 144 2PY 0.00943 0.00934 0.08560 -0.04345 -0.02977 145 2PZ 0.01571 0.00795 0.05878 -0.13469 -0.07516 146 3S 0.01061 0.03705 -0.22638 -0.07952 -0.05563 147 3PX -0.01496 -0.00783 -0.03111 0.07049 0.05028 148 3PY 0.00577 0.00594 0.04600 -0.01969 -0.01493 149 3PZ 0.00550 0.00241 0.02358 -0.06594 -0.03251 150 4XX -0.00089 -0.00152 0.00042 0.00498 0.00281 151 4YY 0.00169 0.00017 0.01012 -0.00238 -0.00211 152 4ZZ -0.00041 -0.00097 0.00092 0.00336 0.00164 153 4XY -0.00276 -0.00074 -0.00227 0.00616 0.00415 154 4XZ -0.00003 0.00001 -0.00083 -0.00480 -0.00175 155 4YZ 0.00153 0.00038 0.00212 -0.00555 -0.00308 156 20 O 1S -0.00317 0.01146 0.07181 -0.02431 -0.01582 157 2S 0.00736 -0.02528 -0.16627 0.05512 0.03643 158 2PX -0.03191 0.02186 -0.07461 -0.15280 -0.10565 159 2PY -0.00944 0.00933 -0.08561 -0.04351 -0.02978 160 2PZ 0.01571 -0.00792 0.05873 0.13468 0.07515 161 3S 0.01061 -0.03705 -0.22640 0.07947 0.05563 162 3PX -0.01496 0.00781 -0.03110 -0.07049 -0.05028 163 3PY -0.00577 0.00593 -0.04600 -0.01972 -0.01494 164 3PZ 0.00550 -0.00239 0.02356 0.06593 0.03251 165 4XX -0.00089 0.00152 0.00042 -0.00498 -0.00281 166 4YY 0.00169 -0.00017 0.01012 0.00239 0.00211 167 4ZZ -0.00041 0.00097 0.00092 -0.00336 -0.00165 168 4XY 0.00276 -0.00074 0.00226 0.00616 0.00415 169 4XZ -0.00003 -0.00001 -0.00083 0.00480 0.00176 170 4YZ -0.00153 0.00038 -0.00212 -0.00555 -0.00308 171 21 C 1S -0.02684 -0.00002 -0.12593 -0.00001 0.00000 172 2S 0.05681 0.00004 0.26598 0.00002 0.00000 173 2PX -0.00667 0.00000 -0.06996 -0.00001 0.00000 174 2PY 0.00000 -0.02598 -0.00002 0.17217 0.11285 175 2PZ -0.00511 0.00000 0.06009 0.00002 0.00002 176 3S 0.04466 0.00003 0.25264 0.00002 0.00000 177 3PX -0.00815 0.00000 -0.02263 0.00000 0.00000 178 3PY 0.00000 -0.00373 -0.00001 0.04738 0.03006 179 3PZ 0.00227 0.00000 0.02333 0.00001 0.00000 180 4XX -0.00134 0.00000 0.00086 0.00000 0.00000 181 4YY 0.00051 0.00000 -0.01400 0.00000 0.00000 182 4ZZ -0.00064 0.00000 0.00323 0.00000 0.00000 183 4XY 0.00000 -0.00215 0.00000 0.01231 0.00732 184 4XZ 0.00066 0.00000 0.00706 0.00000 0.00000 185 4YZ 0.00000 0.00243 0.00000 -0.00976 -0.00690 186 22 H 1S 0.02052 0.00001 0.11782 0.00001 0.00000 187 2S 0.00291 0.00000 0.03884 0.00000 0.00000 188 23 H 1S 0.01388 0.00001 0.11964 0.00001 0.00000 189 2S -0.00391 0.00000 0.03919 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58712 -0.52754 -0.51145 -0.49356 -0.47095 1 1 C 1S -0.10044 0.01558 0.00859 0.01137 -0.06067 2 2S 0.20279 -0.03235 -0.01626 -0.02678 0.12514 3 2PX -0.01260 -0.01484 -0.05204 0.00980 -0.07969 4 2PY -0.07702 -0.04611 -0.04688 0.19471 -0.12109 5 2PZ -0.00581 -0.01738 -0.02620 0.00098 0.00932 6 3S 0.19308 -0.03431 -0.02156 -0.02377 0.14777 7 3PX -0.01069 -0.01157 -0.01838 -0.00796 -0.03125 8 3PY -0.03296 -0.02218 -0.02183 0.08412 -0.04746 9 3PZ -0.00729 -0.00758 -0.00783 0.00757 -0.00610 10 4XX -0.00762 0.00146 0.00369 0.00044 -0.00840 11 4YY 0.00386 -0.00072 0.00074 -0.00234 0.01124 12 4ZZ -0.00804 0.00312 0.00023 -0.00120 -0.00978 13 4XY 0.00102 0.00026 -0.00209 0.00110 0.00080 14 4XZ 0.00064 0.00172 -0.00080 0.00175 0.00523 15 4YZ 0.00140 0.00018 -0.00131 -0.00126 0.00177 16 2 H 1S 0.11653 0.01260 0.02175 -0.11119 0.13425 17 2S 0.04981 0.01108 0.01473 -0.06458 0.08428 18 3 C 1S 0.05778 -0.00579 -0.00595 0.00559 0.06866 19 2S -0.11585 0.01001 0.01309 -0.01089 -0.14101 20 2PX -0.08816 0.03562 0.03377 -0.11961 -0.06735 21 2PY -0.12788 -0.00868 -0.00486 0.12145 0.08172 22 2PZ 0.08051 -0.05546 -0.06810 0.12504 0.06344 23 3S -0.10819 0.02375 0.01902 -0.01965 -0.15357 24 3PX -0.02587 0.00722 0.00867 -0.03776 -0.02542 25 3PY -0.02597 -0.00465 -0.00353 0.03417 0.03608 26 3PZ 0.02629 -0.01627 -0.02269 0.03897 0.02711 27 4XX 0.00659 -0.00037 0.00104 0.00067 0.00256 28 4YY -0.00366 0.00078 0.00126 -0.00220 0.00865 29 4ZZ 0.00337 -0.00009 -0.00100 -0.00282 -0.00197 30 4XY 0.00488 -0.00003 -0.00048 -0.00197 0.00850 31 4XZ -0.00028 0.00072 0.00019 0.00166 0.00580 32 4YZ -0.00463 0.00032 0.00041 0.00049 -0.00856 33 4 H 1S -0.06384 0.03489 0.03923 -0.11519 -0.13647 34 2S -0.02654 0.02238 0.02498 -0.08180 -0.08572 35 5 C 1S 0.05777 -0.00579 -0.00593 0.00560 -0.06866 36 2S -0.11583 0.01000 0.01305 -0.01091 0.14101 37 2PX -0.08819 0.03562 0.03376 -0.11960 0.06733 38 2PY 0.12786 0.00870 0.00486 -0.12152 0.08175 39 2PZ 0.08054 -0.05546 -0.06809 0.12501 -0.06341 40 3S -0.10818 0.02375 0.01899 -0.01968 0.15358 41 3PX -0.02587 0.00721 0.00866 -0.03776 0.02541 42 3PY 0.02596 0.00465 0.00352 -0.03419 0.03609 43 3PZ 0.02629 -0.01627 -0.02268 0.03896 -0.02710 44 4XX 0.00659 -0.00037 0.00104 0.00067 -0.00257 45 4YY -0.00366 0.00078 0.00126 -0.00220 -0.00865 46 4ZZ 0.00338 -0.00009 -0.00100 -0.00282 0.00197 47 4XY -0.00488 0.00003 0.00048 0.00197 0.00851 48 4XZ -0.00028 0.00072 0.00019 0.00166 -0.00580 49 4YZ 0.00463 -0.00032 -0.00041 -0.00049 -0.00856 50 6 H 1S -0.06383 0.03488 0.03921 -0.11520 0.13646 51 2S -0.02654 0.02238 0.02497 -0.08181 0.08571 52 7 C 1S -0.10045 0.01558 0.00858 0.01136 0.06068 53 2S 0.20280 -0.03235 -0.01623 -0.02677 -0.12515 54 2PX -0.01259 -0.01486 -0.05208 0.00982 0.07973 55 2PY 0.07702 0.04613 0.04690 -0.19469 -0.12108 56 2PZ -0.00580 -0.01737 -0.02617 0.00094 -0.00935 57 3S 0.19310 -0.03432 -0.02154 -0.02375 -0.14779 58 3PX -0.01069 -0.01158 -0.01840 -0.00795 0.03126 59 3PY 0.03296 0.02219 0.02184 -0.08413 -0.04745 60 3PZ -0.00728 -0.00757 -0.00782 0.00755 0.00610 61 4XX -0.00762 0.00146 0.00369 0.00044 0.00840 62 4YY 0.00386 -0.00072 0.00074 -0.00234 -0.01124 63 4ZZ -0.00804 0.00312 0.00023 -0.00120 0.00978 64 4XY -0.00102 -0.00026 0.00209 -0.00110 0.00080 65 4XZ 0.00064 0.00172 -0.00080 0.00175 -0.00523 66 4YZ -0.00139 -0.00018 0.00131 0.00126 0.00176 67 8 H 1S 0.11653 0.01261 0.02177 -0.11117 -0.13425 68 2S 0.04981 0.01108 0.01474 -0.06457 -0.08428 69 9 C 1S 0.04253 -0.01093 0.00714 0.00495 -0.04759 70 2S -0.08539 0.02341 -0.01594 -0.00826 0.09547 71 2PX 0.02098 -0.01134 -0.11060 0.01839 -0.00289 72 2PY 0.08218 0.00277 0.02271 -0.08603 0.03680 73 2PZ -0.10019 0.06087 0.00881 -0.09230 0.10066 74 3S -0.08345 0.02135 -0.01807 -0.03038 0.12912 75 3PX 0.00887 0.00203 -0.04729 0.00937 -0.00628 76 3PY 0.02527 0.00230 0.00267 -0.03830 0.00884 77 3PZ -0.03444 0.02303 -0.00577 -0.03544 0.04443 78 4XX -0.00222 0.00181 0.00382 -0.00453 0.00649 79 4YY -0.00234 0.00128 -0.00083 -0.00068 -0.00797 80 4ZZ 0.00776 -0.00193 -0.00221 0.00159 -0.00279 81 4XY 0.00141 -0.00023 -0.00061 -0.00113 -0.00072 82 4XZ -0.00352 0.00153 -0.00046 -0.00308 0.00259 83 4YZ -0.00492 -0.00033 -0.00103 0.00361 0.00968 84 10 H 1S -0.04533 0.02696 -0.03563 -0.04742 0.08687 85 2S -0.02102 0.01430 -0.01686 -0.03211 0.05390 86 11 H 1S -0.04009 0.02251 0.06304 -0.03817 0.06613 87 2S -0.01544 0.02011 0.05457 -0.01538 0.03474 88 12 C 1S 0.04252 -0.01093 0.00714 0.00495 0.04759 89 2S -0.08538 0.02341 -0.01593 -0.00824 -0.09548 90 2PX 0.02099 -0.01134 -0.11060 0.01838 0.00295 91 2PY -0.08215 -0.00278 -0.02272 0.08605 0.03681 92 2PZ -0.10021 0.06087 0.00882 -0.09227 -0.10065 93 3S -0.08343 0.02133 -0.01805 -0.03037 -0.12913 94 3PX 0.00888 0.00204 -0.04728 0.00936 0.00630 95 3PY -0.02526 -0.00230 -0.00267 0.03831 0.00885 96 3PZ -0.03444 0.02303 -0.00577 -0.03543 -0.04442 97 4XX -0.00222 0.00181 0.00382 -0.00452 -0.00649 98 4YY -0.00234 0.00128 -0.00084 -0.00068 0.00797 99 4ZZ 0.00776 -0.00192 -0.00222 0.00158 0.00280 100 4XY -0.00141 0.00023 0.00061 0.00113 -0.00072 101 4XZ -0.00352 0.00153 -0.00045 -0.00308 -0.00259 102 4YZ 0.00491 0.00033 0.00103 -0.00361 0.00969 103 13 H 1S -0.04008 0.02250 0.06306 -0.03814 -0.06613 104 2S -0.01544 0.02011 0.05459 -0.01536 -0.03473 105 14 H 1S -0.04533 0.02697 -0.03561 -0.04742 -0.08685 106 2S -0.02102 0.01430 -0.01685 -0.03212 -0.05389 107 15 C 1S 0.01291 -0.01131 -0.00254 0.00040 0.00053 108 2S -0.02960 0.02329 0.00427 -0.00138 -0.00349 109 2PX 0.03287 0.04703 0.05286 0.05234 0.05580 110 2PY -0.06498 -0.20830 -0.03737 -0.07082 -0.00318 111 2PZ 0.00872 -0.14861 0.06085 -0.00724 -0.02278 112 3S -0.01326 0.04137 0.01191 0.00771 0.00196 113 3PX 0.00910 0.00981 0.02866 0.02081 0.01926 114 3PY -0.01985 -0.06535 -0.01353 -0.02152 -0.00888 115 3PZ 0.00791 -0.05091 0.03000 -0.00157 0.00152 116 4XX 0.00201 -0.00186 -0.00641 -0.00145 -0.00224 117 4YY -0.00119 0.00217 0.00006 -0.00027 0.00176 118 4ZZ 0.00208 0.00274 0.00668 0.00316 0.00097 119 4XY 0.00067 0.00497 0.00234 0.00558 -0.00606 120 4XZ 0.00182 0.00161 -0.00135 0.00177 0.00416 121 4YZ -0.00098 -0.00036 -0.00041 0.00024 0.00247 122 16 H 1S 0.01082 0.13596 0.00215 0.02903 0.02156 123 2S 0.00769 0.08376 0.00493 0.01458 0.01647 124 17 C 1S 0.01294 -0.01131 -0.00254 0.00040 -0.00054 125 2S -0.02967 0.02329 0.00426 -0.00137 0.00350 126 2PX 0.03289 0.04702 0.05286 0.05233 -0.05579 127 2PY 0.06493 0.20834 0.03735 0.07082 -0.00317 128 2PZ 0.00875 -0.14856 0.06087 -0.00722 0.02275 129 3S -0.01332 0.04137 0.01192 0.00771 -0.00196 130 3PX 0.00911 0.00981 0.02866 0.02081 -0.01925 131 3PY 0.01984 0.06537 0.01353 0.02152 -0.00888 132 3PZ 0.00792 -0.05091 0.03001 -0.00157 -0.00153 133 4XX 0.00201 -0.00186 -0.00641 -0.00145 0.00224 134 4YY -0.00119 0.00216 0.00006 -0.00027 -0.00176 135 4ZZ 0.00208 0.00274 0.00668 0.00316 -0.00096 136 4XY -0.00067 -0.00498 -0.00234 -0.00558 -0.00606 137 4XZ 0.00182 0.00161 -0.00135 0.00177 -0.00417 138 4YZ 0.00099 0.00036 0.00040 -0.00025 0.00247 139 18 H 1S 0.01078 0.13596 0.00214 0.02903 -0.02154 140 2S 0.00767 0.08376 0.00492 0.01457 -0.01645 141 19 O 1S -0.00799 -0.02287 -0.00112 -0.01701 0.00317 142 2S 0.02011 0.05215 0.00202 0.03816 -0.00614 143 2PX -0.00312 -0.03830 0.13224 0.02272 -0.06696 144 2PY -0.03234 -0.17750 -0.04788 -0.09701 0.01072 145 2PZ 0.01449 -0.05143 0.13442 0.03402 0.06729 146 3S 0.02130 0.07579 0.00337 0.06356 -0.01879 147 3PX -0.00554 -0.02678 0.07506 0.01037 -0.03647 148 3PY -0.01900 -0.10538 -0.02880 -0.05783 0.00343 149 3PZ 0.00938 -0.02520 0.07969 0.02027 0.03579 150 4XX 0.00211 0.00613 0.00223 0.00317 0.00071 151 4YY -0.00197 -0.01500 -0.00442 -0.00825 0.00140 152 4ZZ 0.00091 0.00754 0.00194 0.00244 0.00014 153 4XY -0.00246 -0.01009 0.00759 -0.00102 -0.00305 154 4XZ 0.00007 -0.00438 0.00023 -0.00147 0.00052 155 4YZ 0.00221 0.00180 0.01077 0.00478 0.00270 156 20 O 1S -0.00800 -0.02287 -0.00112 -0.01701 -0.00318 157 2S 0.02013 0.05215 0.00202 0.03816 0.00615 158 2PX -0.00318 -0.03830 0.13223 0.02273 0.06699 159 2PY 0.03232 0.17751 0.04785 0.09700 0.01076 160 2PZ 0.01455 -0.05139 0.13443 0.03403 -0.06725 161 3S 0.02132 0.07579 0.00336 0.06356 0.01882 162 3PX -0.00557 -0.02678 0.07505 0.01037 0.03649 163 3PY 0.01899 0.10538 0.02879 0.05782 0.00345 164 3PZ 0.00941 -0.02518 0.07969 0.02027 -0.03576 165 4XX 0.00211 0.00613 0.00223 0.00317 -0.00071 166 4YY -0.00197 -0.01500 -0.00441 -0.00825 -0.00140 167 4ZZ 0.00091 0.00754 0.00193 0.00243 -0.00013 168 4XY 0.00246 0.01009 -0.00759 0.00102 -0.00305 169 4XZ 0.00007 -0.00437 0.00023 -0.00147 -0.00052 170 4YZ -0.00221 -0.00180 -0.01077 -0.00478 0.00269 171 21 C 1S -0.00412 -0.01447 -0.00170 0.00102 0.00000 172 2S 0.01026 0.03235 0.00152 -0.00266 0.00000 173 2PX -0.01818 -0.19705 0.16160 -0.02034 0.00005 174 2PY 0.00003 -0.00001 -0.00003 -0.00002 -0.07633 175 2PZ 0.01336 0.06162 0.29227 0.11444 0.00005 176 3S 0.01064 0.04614 0.01173 0.00613 0.00000 177 3PX -0.00931 -0.07373 0.07515 -0.00515 0.00002 178 3PY 0.00001 0.00000 -0.00001 -0.00001 -0.03030 179 3PZ 0.00681 0.01504 0.11749 0.04975 0.00002 180 4XX -0.00072 -0.00217 -0.00518 -0.00282 0.00000 181 4YY 0.00082 -0.00330 -0.00295 0.00015 0.00000 182 4ZZ -0.00070 0.00216 0.00725 0.00198 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 -0.00342 184 4XZ 0.00230 0.01383 0.00293 0.00588 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00250 186 22 H 1S 0.00938 0.09678 -0.12048 -0.00901 -0.00004 187 2S 0.00391 0.05974 -0.06857 -0.00106 -0.00002 188 23 H 1S 0.00598 0.03495 0.16512 0.05585 0.00003 189 2S -0.00202 0.02820 0.10302 0.03189 0.00002 26 27 28 29 30 O O O O O Eigenvalues -- -0.44315 -0.44293 -0.43499 -0.40647 -0.39957 1 1 C 1S 0.00099 -0.02362 0.00214 0.00060 -0.02878 2 2S 0.00088 0.05024 -0.00586 -0.00137 0.06685 3 2PX 0.11441 0.01517 -0.01737 -0.12459 0.10472 4 2PY -0.00979 -0.02294 0.00583 -0.02321 0.25098 5 2PZ -0.02814 0.02658 -0.06190 0.23324 0.02889 6 3S -0.01788 0.06014 -0.00553 0.00544 0.09674 7 3PX 0.04370 0.00313 -0.01278 -0.03766 0.04688 8 3PY -0.02198 -0.00543 0.00260 -0.00139 0.07412 9 3PZ -0.00408 0.02484 -0.02408 0.08412 0.00990 10 4XX -0.00042 -0.00144 -0.00085 -0.00452 0.00004 11 4YY -0.00185 0.00310 0.00032 0.00209 -0.01130 12 4ZZ 0.00182 -0.00498 0.00088 0.00367 0.00286 13 4XY 0.00393 0.00077 -0.00137 -0.00134 0.00222 14 4XZ 0.00400 -0.00160 -0.00059 0.00424 0.00024 15 4YZ -0.00045 0.00098 -0.00216 0.00482 -0.00103 16 2 H 1S -0.00364 0.03350 -0.00104 0.01420 -0.13789 17 2S -0.00811 0.02241 -0.00155 0.01508 -0.13995 18 3 C 1S 0.00134 0.00621 0.00354 0.00558 -0.00395 19 2S -0.00446 -0.00994 -0.00966 -0.01249 0.01196 20 2PX -0.02260 -0.00928 -0.05314 0.15103 -0.13041 21 2PY -0.06927 0.00523 -0.01520 0.18284 0.01871 22 2PZ 0.06517 0.03252 -0.01818 -0.07808 0.16162 23 3S 0.00594 -0.02644 -0.00144 -0.01470 0.01996 24 3PX -0.00781 0.00396 -0.02730 0.05871 -0.01897 25 3PY -0.02206 -0.00812 -0.00634 0.06697 0.03737 26 3PZ 0.02937 0.01153 -0.01264 -0.02597 0.03718 27 4XX -0.00115 -0.00060 0.00277 -0.00383 0.00134 28 4YY -0.00109 0.00169 -0.00108 0.00236 -0.00746 29 4ZZ 0.00206 0.00060 -0.00214 0.00279 0.00139 30 4XY 0.00170 0.00151 -0.00064 -0.00142 0.00775 31 4XZ -0.00012 -0.00049 0.00132 0.00123 -0.00133 32 4YZ -0.00059 -0.00324 -0.00079 0.00117 -0.01108 33 4 H 1S -0.01403 -0.02421 -0.01003 0.02124 -0.11818 34 2S -0.00914 -0.02239 -0.00752 0.02054 -0.11369 35 5 C 1S 0.00126 -0.00623 0.00354 0.00558 0.00395 36 2S -0.00435 0.01000 -0.00966 -0.01250 -0.01197 37 2PX -0.02250 0.00960 -0.05315 0.15101 0.13047 38 2PY 0.06930 0.00422 0.01519 -0.18281 0.01871 39 2PZ 0.06471 -0.03346 -0.01818 -0.07805 -0.16164 40 3S 0.00629 0.02635 -0.00144 -0.01473 -0.01997 41 3PX -0.00788 -0.00385 -0.02730 0.05872 0.01900 42 3PY 0.02192 -0.00844 0.00633 -0.06697 0.03735 43 3PZ 0.02921 -0.01195 -0.01264 -0.02597 -0.03718 44 4XX -0.00114 0.00062 0.00277 -0.00383 -0.00134 45 4YY -0.00112 -0.00167 -0.00108 0.00236 0.00747 46 4ZZ 0.00205 -0.00063 -0.00214 0.00279 -0.00140 47 4XY -0.00168 0.00154 0.00064 0.00141 0.00774 48 4XZ -0.00012 0.00049 0.00132 0.00123 0.00134 49 4YZ 0.00055 -0.00325 0.00080 -0.00116 -0.01108 50 6 H 1S -0.01371 0.02441 -0.01004 0.02118 0.11820 51 2S -0.00884 0.02252 -0.00752 0.02049 0.11371 52 7 C 1S 0.00132 0.02360 0.00215 0.00059 0.02878 53 2S 0.00017 -0.05024 -0.00587 -0.00135 -0.06685 54 2PX 0.11416 -0.01684 -0.01737 -0.12454 -0.10482 55 2PY 0.00952 -0.02310 -0.00583 0.02306 0.25096 56 2PZ -0.02855 -0.02619 -0.06190 0.23324 -0.02873 57 3S -0.01874 -0.05988 -0.00554 0.00548 -0.09672 58 3PX 0.04365 -0.00377 -0.01278 -0.03763 -0.04692 59 3PY 0.02192 -0.00575 -0.00260 0.00134 0.07411 60 3PZ -0.00445 -0.02479 -0.02409 0.08413 -0.00986 61 4XX -0.00040 0.00145 -0.00085 -0.00453 -0.00004 62 4YY -0.00190 -0.00307 0.00032 0.00209 0.01130 63 4ZZ 0.00189 0.00496 0.00089 0.00367 -0.00286 64 4XY -0.00392 0.00082 0.00137 0.00133 0.00222 65 4XZ 0.00402 0.00154 -0.00059 0.00425 -0.00024 66 4YZ 0.00047 0.00097 0.00216 -0.00482 -0.00102 67 8 H 1S -0.00409 -0.03345 -0.00105 0.01416 0.13790 68 2S -0.00840 -0.02229 -0.00156 0.01505 0.13995 69 9 C 1S 0.00449 -0.01533 -0.00366 -0.00177 0.00810 70 2S -0.00971 0.03272 0.00817 0.00573 -0.01554 71 2PX 0.21497 -0.02009 -0.08696 0.11626 -0.12058 72 2PY 0.00506 0.01296 -0.03031 0.13154 0.01372 73 2PZ 0.12436 0.04751 0.02086 -0.16201 0.08073 74 3S -0.01740 0.04458 0.00701 0.00529 -0.05024 75 3PX 0.10088 0.00279 -0.03793 0.05322 -0.05858 76 3PY -0.00460 0.01057 -0.01203 0.06091 0.03104 77 3PZ 0.04644 0.02189 0.00907 -0.07290 0.02692 78 4XX -0.00016 0.00259 0.00136 -0.00505 0.00358 79 4YY -0.00074 -0.00218 0.00103 -0.00189 0.00493 80 4ZZ 0.00293 -0.00076 -0.00195 0.00497 -0.00674 81 4XY 0.00235 -0.00145 -0.00095 0.00076 -0.00736 82 4XZ 0.00784 0.00126 -0.00197 0.00161 0.00211 83 4YZ 0.00038 0.00381 0.00057 -0.00227 0.00153 84 10 H 1S 0.12845 0.02858 -0.02749 0.00668 -0.01894 85 2S 0.10110 0.01413 -0.02211 0.00441 -0.01049 86 11 H 1S -0.08798 0.03520 0.04329 -0.06239 0.07967 87 2S -0.04930 0.02787 0.03354 -0.04783 0.07168 88 12 C 1S 0.00471 0.01526 -0.00365 -0.00176 -0.00811 89 2S -0.01017 -0.03257 0.00815 0.00573 0.01555 90 2PX 0.21523 0.01690 -0.08696 0.11622 0.12062 91 2PY -0.00491 0.01307 0.03031 -0.13150 0.01376 92 2PZ 0.12369 -0.04934 0.02085 -0.16203 -0.08081 93 3S -0.01803 -0.04432 0.00699 0.00528 0.05026 94 3PX 0.10082 -0.00429 -0.03793 0.05320 0.05860 95 3PY 0.00474 0.01051 0.01203 -0.06090 0.03105 96 3PZ 0.04614 -0.02258 0.00907 -0.07291 -0.02694 97 4XX -0.00020 -0.00259 0.00136 -0.00505 -0.00358 98 4YY -0.00071 0.00219 0.00103 -0.00189 -0.00493 99 4ZZ 0.00295 0.00072 -0.00195 0.00497 0.00674 100 4XY -0.00237 -0.00141 0.00095 -0.00076 -0.00736 101 4XZ 0.00782 -0.00138 -0.00197 0.00161 -0.00212 102 4YZ -0.00033 0.00381 -0.00057 0.00227 0.00153 103 13 H 1S -0.08848 -0.03389 0.04328 -0.06235 -0.07970 104 2S -0.04970 -0.02713 0.03353 -0.04779 -0.07171 105 14 H 1S 0.12803 -0.03049 -0.02749 0.00665 0.01890 106 2S 0.10089 -0.01564 -0.02211 0.00439 0.01045 107 15 C 1S -0.00579 0.03941 0.00834 -0.00531 -0.00942 108 2S 0.01436 -0.07835 -0.02251 0.01022 0.01456 109 2PX -0.00564 -0.13646 0.15806 0.04211 -0.00850 110 2PY -0.00857 0.07101 0.02761 0.01880 -0.00426 111 2PZ -0.07901 0.19429 -0.14095 -0.06025 -0.02221 112 3S 0.00389 -0.13029 -0.01891 0.01862 0.06717 113 3PX -0.00187 -0.04036 0.05949 0.00976 -0.00015 114 3PY -0.00117 -0.00031 0.01213 0.00249 0.02437 115 3PZ -0.03539 0.05385 -0.05111 -0.02257 -0.01338 116 4XX -0.00319 0.01066 -0.00345 -0.00602 0.00226 117 4YY 0.00141 -0.00376 0.00225 0.00232 -0.00242 118 4ZZ 0.00109 -0.00182 0.00325 0.00236 -0.00172 119 4XY -0.00249 0.01426 -0.00454 -0.00074 0.00112 120 4XZ -0.00280 -0.00643 0.00580 0.00248 0.00030 121 4YZ 0.00105 -0.02156 0.00483 0.00061 0.00368 122 16 H 1S 0.04205 -0.18122 0.06456 0.02781 0.01484 123 2S 0.03140 -0.14429 0.05517 0.01826 0.00368 124 17 C 1S -0.00637 -0.03932 0.00833 -0.00532 0.00942 125 2S 0.01552 0.07813 -0.02249 0.01024 -0.01457 126 2PX -0.00360 0.13646 0.15810 0.04212 0.00849 127 2PY 0.00964 0.07093 -0.02756 -0.01877 -0.00420 128 2PZ -0.08190 -0.19304 -0.14101 -0.06030 0.02216 129 3S 0.00583 0.13022 -0.01887 0.01866 -0.06718 130 3PX -0.00127 0.04036 0.05951 0.00976 0.00014 131 3PY 0.00118 -0.00031 -0.01212 -0.00249 0.02439 132 3PZ -0.03618 -0.05330 -0.05113 -0.02259 0.01336 133 4XX -0.00335 -0.01061 -0.00345 -0.00602 -0.00226 134 4YY 0.00147 0.00375 0.00226 0.00232 0.00242 135 4ZZ 0.00112 0.00179 0.00325 0.00236 0.00172 136 4XY 0.00270 0.01422 0.00454 0.00074 0.00112 137 4XZ -0.00271 0.00647 0.00581 0.00248 -0.00030 138 4YZ -0.00137 -0.02154 -0.00483 -0.00061 0.00368 139 18 H 1S 0.04475 0.18055 0.06461 0.02785 -0.01479 140 2S 0.03355 0.14378 0.05521 0.01830 -0.00364 141 19 O 1S -0.00445 -0.01642 -0.02448 -0.00767 0.00130 142 2S 0.01016 0.03629 0.05360 0.01539 -0.00046 143 2PX -0.00013 0.21734 -0.21728 -0.05705 -0.04269 144 2PY 0.02185 -0.03286 0.02837 -0.01748 0.03479 145 2PZ 0.06001 -0.12300 0.16114 0.06549 -0.05202 146 3S 0.02326 0.08272 0.10850 0.03564 -0.00957 147 3PX 0.00180 0.11713 -0.11972 -0.03165 -0.03050 148 3PY 0.01716 -0.01006 0.01025 -0.01269 0.02099 149 3PZ 0.03218 -0.06031 0.08942 0.04127 -0.03668 150 4XX -0.00501 -0.00003 -0.00671 -0.00200 -0.00062 151 4YY 0.00238 -0.00222 0.00246 -0.00124 0.00221 152 4ZZ 0.00233 -0.00446 -0.00307 -0.00037 0.00130 153 4XY 0.00174 0.00905 -0.00852 -0.00233 -0.00110 154 4XZ -0.00183 0.00159 0.00474 0.00052 -0.00143 155 4YZ 0.00469 -0.00522 0.00620 0.00322 -0.00198 156 20 O 1S -0.00421 0.01649 -0.02447 -0.00766 -0.00129 157 2S 0.00961 -0.03645 0.05359 0.01538 0.00044 158 2PX -0.00337 -0.21723 -0.21736 -0.05710 0.04267 159 2PY -0.02235 -0.03254 -0.02844 0.01744 0.03471 160 2PZ 0.06184 0.12203 0.16115 0.06550 0.05203 161 3S 0.02203 -0.08309 0.10847 0.03561 0.00952 162 3PX 0.00005 -0.11710 -0.11976 -0.03168 0.03050 163 3PY -0.01731 -0.00981 -0.01029 0.01267 0.02094 164 3PZ 0.03308 0.05979 0.08943 0.04126 0.03669 165 4XX -0.00501 0.00010 -0.00671 -0.00200 0.00062 166 4YY 0.00241 0.00218 0.00246 -0.00123 -0.00221 167 4ZZ 0.00240 0.00442 -0.00307 -0.00037 -0.00130 168 4XY -0.00161 0.00908 0.00852 0.00233 -0.00110 169 4XZ -0.00185 -0.00156 0.00474 0.00052 0.00143 170 4YZ -0.00477 -0.00515 -0.00619 -0.00322 -0.00198 171 21 C 1S -0.00235 0.00001 0.02917 0.00247 -0.00001 172 2S 0.00772 -0.00005 -0.06150 -0.00452 0.00001 173 2PX 0.19392 -0.00148 0.21812 0.06922 0.00005 174 2PY 0.00152 0.20504 0.00007 0.00002 -0.02049 175 2PZ 0.14791 -0.00102 -0.19165 0.00805 -0.00001 176 3S 0.00551 -0.00003 -0.07672 0.00021 0.00002 177 3PX 0.06271 -0.00048 0.08781 0.01844 0.00002 178 3PY 0.00072 0.09711 0.00003 0.00001 -0.00145 179 3PZ 0.06413 -0.00045 -0.07668 0.01186 0.00000 180 4XX -0.01190 0.00009 -0.01437 -0.00650 0.00000 181 4YY 0.00489 -0.00004 0.03281 0.00883 0.00000 182 4ZZ 0.00637 -0.00005 -0.01647 -0.00244 0.00000 183 4XY 0.00005 0.00649 0.00000 0.00000 0.00070 184 4XZ -0.00454 0.00004 -0.00711 -0.00081 0.00000 185 4YZ -0.00006 -0.00821 0.00000 0.00000 0.00490 186 22 H 1S -0.13330 0.00101 -0.12822 -0.04845 -0.00002 187 2S -0.10781 0.00081 -0.09159 -0.04208 -0.00002 188 23 H 1S 0.09208 -0.00065 -0.13277 -0.00311 0.00000 189 2S 0.05372 -0.00037 -0.09189 -0.01989 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38839 -0.38588 -0.37218 -0.35579 -0.34715 1 1 C 1S -0.00409 -0.00098 -0.00385 -0.01062 0.00196 2 2S 0.00787 0.00371 0.01261 0.02605 -0.00727 3 2PX 0.00050 0.00008 -0.06250 0.11234 -0.01393 4 2PY 0.01206 0.05199 0.14659 0.02073 -0.03831 5 2PZ 0.03035 0.01806 -0.04097 0.06547 0.01662 6 3S 0.02100 0.00004 -0.01678 0.01804 0.02530 7 3PX 0.00987 0.01231 -0.06288 0.05855 0.01449 8 3PY -0.00151 0.00960 0.02508 0.00746 -0.00872 9 3PZ -0.00555 -0.01918 -0.01881 0.04516 -0.00207 10 4XX -0.00045 0.00126 0.00636 0.00091 -0.00092 11 4YY 0.00024 -0.00414 -0.00710 -0.00407 0.00173 12 4ZZ -0.00113 0.00076 0.00064 -0.00310 -0.00005 13 4XY 0.00199 -0.00742 -0.00244 0.00197 -0.00057 14 4XZ -0.00168 -0.00067 -0.00398 -0.00789 0.00095 15 4YZ 0.00299 0.01013 -0.00176 0.00221 0.00063 16 2 H 1S -0.00200 -0.03646 -0.08471 -0.02027 0.02178 17 2S -0.00986 -0.03849 -0.09123 -0.02025 0.01058 18 3 C 1S -0.00249 0.02007 -0.01224 -0.00643 0.00409 19 2S 0.00739 -0.04629 0.02434 0.01318 -0.00477 20 2PX 0.01460 0.08411 -0.05073 0.05046 0.02730 21 2PY 0.02475 -0.23853 0.00014 -0.08558 0.00101 22 2PZ 0.02374 -0.09533 0.00993 0.10290 -0.02503 23 3S -0.01283 -0.06434 0.08278 0.01973 -0.04663 24 3PX 0.01188 0.03057 -0.03248 0.02971 0.02513 25 3PY 0.01573 -0.07011 0.01161 -0.03441 0.00047 26 3PZ 0.01145 -0.03070 0.01655 0.05309 -0.02057 27 4XX -0.00201 0.00481 0.00353 -0.00353 -0.00028 28 4YY 0.00064 -0.00632 -0.00527 -0.00089 0.00150 29 4ZZ 0.00086 0.00891 -0.00095 0.00337 0.00086 30 4XY 0.00061 -0.00127 0.00183 0.00193 -0.00172 31 4XZ -0.00026 -0.00686 -0.00212 -0.00308 0.00052 32 4YZ 0.00076 0.00276 0.00083 0.00121 0.00182 33 4 H 1S -0.00869 0.12973 -0.00803 0.01036 0.01845 34 2S -0.00437 0.13146 -0.00690 0.01034 0.01737 35 5 C 1S -0.00249 0.02007 0.01223 -0.00643 -0.00409 36 2S 0.00739 -0.04629 -0.02433 0.01319 0.00477 37 2PX 0.01457 0.08406 0.05073 0.05045 -0.02730 38 2PY -0.02476 0.23856 0.00020 0.08556 0.00099 39 2PZ 0.02380 -0.09526 -0.00987 0.10291 0.02503 40 3S -0.01282 -0.06436 -0.08276 0.01978 0.04663 41 3PX 0.01188 0.03056 0.03248 0.02970 -0.02513 42 3PY -0.01576 0.07013 0.01165 0.03440 0.00046 43 3PZ 0.01147 -0.03069 -0.01652 0.05312 0.02056 44 4XX -0.00201 0.00481 -0.00353 -0.00353 0.00028 45 4YY 0.00064 -0.00632 0.00527 -0.00089 -0.00150 46 4ZZ 0.00086 0.00891 0.00095 0.00337 -0.00086 47 4XY -0.00061 0.00127 0.00183 -0.00193 -0.00172 48 4XZ -0.00026 -0.00686 0.00212 -0.00308 -0.00052 49 4YZ -0.00075 -0.00276 0.00083 -0.00121 0.00182 50 6 H 1S -0.00873 0.12972 0.00802 0.01037 -0.01846 51 2S -0.00441 0.13145 0.00690 0.01036 -0.01737 52 7 C 1S -0.00410 -0.00098 0.00385 -0.01062 -0.00196 53 2S 0.00790 0.00372 -0.01261 0.02606 0.00728 54 2PX 0.00056 0.00010 0.06255 0.11233 0.01394 55 2PY -0.01212 -0.05200 0.14660 -0.02077 -0.03829 56 2PZ 0.03038 0.01805 0.04101 0.06551 -0.01663 57 3S 0.02101 0.00007 0.01676 0.01803 -0.02530 58 3PX 0.00991 0.01232 0.06292 0.05853 -0.01449 59 3PY 0.00152 -0.00961 0.02509 -0.00745 -0.00873 60 3PZ -0.00556 -0.01917 0.01882 0.04518 0.00208 61 4XX -0.00045 0.00126 -0.00636 0.00091 0.00092 62 4YY 0.00024 -0.00413 0.00710 -0.00407 -0.00173 63 4ZZ -0.00113 0.00075 -0.00064 -0.00310 0.00005 64 4XY -0.00199 0.00742 -0.00244 -0.00197 -0.00057 65 4XZ -0.00168 -0.00067 0.00398 -0.00789 -0.00095 66 4YZ -0.00299 -0.01013 -0.00176 -0.00221 0.00063 67 8 H 1S -0.00203 -0.03646 0.08470 -0.02029 -0.02177 68 2S -0.00990 -0.03849 0.09122 -0.02028 -0.01056 69 9 C 1S -0.00654 -0.01877 0.00309 -0.00179 -0.00015 70 2S 0.01301 0.04165 -0.00173 0.00561 0.00170 71 2PX -0.05831 0.06967 0.17255 -0.10576 -0.03169 72 2PY -0.03751 -0.23074 0.01245 0.05254 -0.00289 73 2PZ -0.06979 -0.14251 0.09067 -0.06568 -0.00858 74 3S 0.03761 0.07142 -0.04568 -0.00574 -0.01208 75 3PX -0.02407 0.02867 0.06929 -0.04470 -0.00087 76 3PY -0.01170 -0.09716 0.04199 0.02231 -0.00786 77 3PZ -0.02587 -0.07914 0.05800 -0.02476 -0.01139 78 4XX -0.00084 -0.01120 -0.00203 0.00431 0.00077 79 4YY 0.00150 0.00684 0.00291 -0.00111 -0.00062 80 4ZZ -0.00216 -0.00187 0.00006 -0.00321 0.00004 81 4XY -0.00020 0.00041 0.01238 0.00007 -0.00243 82 4XZ -0.00543 -0.00042 0.00658 -0.01132 -0.00212 83 4YZ -0.00010 0.00053 0.00354 -0.00006 -0.00005 84 10 H 1S -0.05828 -0.06453 0.11654 -0.06735 -0.01938 85 2S -0.05976 -0.05738 0.10210 -0.06956 -0.01894 86 11 H 1S 0.01721 -0.09814 -0.09660 0.07036 0.02198 87 2S -0.00105 -0.09085 -0.10928 0.07219 0.04782 88 12 C 1S -0.00654 -0.01877 -0.00308 -0.00180 0.00014 89 2S 0.01301 0.04164 0.00172 0.00562 -0.00170 90 2PX -0.05838 0.06961 -0.17260 -0.10567 0.03169 91 2PY 0.03752 0.23078 0.01237 -0.05252 -0.00286 92 2PZ -0.06977 -0.14245 -0.09067 -0.06561 0.00857 93 3S 0.03758 0.07143 0.04566 -0.00575 0.01208 94 3PX -0.02411 0.02866 -0.06930 -0.04467 0.00086 95 3PY 0.01170 0.09719 0.04197 -0.02232 -0.00784 96 3PZ -0.02585 -0.07913 -0.05799 -0.02471 0.01139 97 4XX -0.00084 -0.01120 0.00204 0.00431 -0.00077 98 4YY 0.00150 0.00684 -0.00292 -0.00111 0.00062 99 4ZZ -0.00216 -0.00187 -0.00006 -0.00321 -0.00005 100 4XY 0.00021 -0.00040 0.01238 -0.00008 -0.00243 101 4XZ -0.00543 -0.00043 -0.00658 -0.01131 0.00212 102 4YZ 0.00010 -0.00053 0.00354 0.00006 -0.00005 103 13 H 1S 0.01725 -0.09809 0.09667 0.07034 -0.02199 104 2S -0.00102 -0.09080 0.10935 0.07215 -0.04783 105 14 H 1S -0.05830 -0.06458 -0.11654 -0.06726 0.01937 106 2S -0.05978 -0.05742 -0.10210 -0.06948 0.01892 107 15 C 1S 0.01571 -0.00159 -0.01068 -0.00250 -0.03205 108 2S -0.03537 0.00300 0.01984 0.01054 0.07144 109 2PX -0.10972 0.02793 0.07154 -0.12399 -0.07262 110 2PY -0.25434 0.00003 -0.00341 0.16227 0.00532 111 2PZ -0.09146 0.00564 0.07719 -0.14190 0.05691 112 3S -0.06186 0.00344 0.05619 0.00642 0.12186 113 3PX -0.05745 0.00813 0.05465 -0.08423 0.01023 114 3PY -0.06217 0.00313 0.01747 0.04984 0.05838 115 3PZ -0.03854 0.01192 0.04072 -0.08693 -0.00205 116 4XX 0.00967 -0.00187 -0.00525 -0.00071 0.00574 117 4YY -0.00921 0.00046 -0.00241 0.00530 -0.01187 118 4ZZ 0.00759 0.00162 0.00734 -0.00774 0.00279 119 4XY -0.00748 0.00123 -0.00577 -0.00094 -0.00356 120 4XZ -0.00774 0.00117 0.00024 0.00498 -0.00865 121 4YZ 0.00607 0.00064 -0.00468 -0.00586 0.00245 122 16 H 1S 0.11572 0.00448 -0.01105 -0.03130 -0.00177 123 2S 0.11047 0.01190 -0.01584 -0.04243 -0.01617 124 17 C 1S 0.01572 -0.00159 0.01068 -0.00250 0.03205 125 2S -0.03538 0.00300 -0.01983 0.01054 -0.07144 126 2PX -0.10974 0.02792 -0.07158 -0.12399 0.07262 127 2PY 0.25436 -0.00003 -0.00351 -0.16224 0.00530 128 2PZ -0.09143 0.00564 -0.07723 -0.14192 -0.05692 129 3S -0.06186 0.00344 -0.05617 0.00644 -0.12186 130 3PX -0.05746 0.00812 -0.05467 -0.08423 -0.01023 131 3PY 0.06218 -0.00314 0.01745 -0.04986 0.05838 132 3PZ -0.03854 0.01191 -0.04074 -0.08692 0.00205 133 4XX 0.00967 -0.00187 0.00525 -0.00071 -0.00574 134 4YY -0.00921 0.00046 0.00242 0.00530 0.01187 135 4ZZ 0.00759 0.00162 -0.00734 -0.00773 -0.00279 136 4XY 0.00748 -0.00123 -0.00577 0.00094 -0.00356 137 4XZ -0.00773 0.00117 -0.00024 0.00497 0.00865 138 4YZ -0.00608 -0.00064 -0.00468 0.00587 0.00245 139 18 H 1S 0.11574 0.00448 0.01103 -0.03129 0.00176 140 2S 0.11048 0.01191 0.01581 -0.04241 0.01616 141 19 O 1S 0.04205 -0.00511 0.00995 -0.01690 0.03799 142 2S -0.08310 0.01214 -0.02400 0.03330 -0.07673 143 2PX 0.04280 -0.00643 0.14499 -0.12731 0.06698 144 2PY 0.23596 -0.02271 0.03631 -0.10612 0.42880 145 2PZ -0.10944 0.02558 0.20797 -0.09654 -0.02955 146 3S -0.20046 0.01883 -0.03381 0.07613 -0.14364 147 3PX 0.03243 -0.00565 0.10552 -0.08709 0.04979 148 3PY 0.14419 -0.01526 0.02258 -0.07065 0.28866 149 3PZ -0.07323 0.01668 0.13971 -0.05904 -0.02115 150 4XX -0.00322 0.00103 0.00438 -0.00843 0.00006 151 4YY 0.01730 -0.00142 0.00062 -0.00745 0.02088 152 4ZZ 0.00541 -0.00012 -0.00342 0.00722 -0.00161 153 4XY 0.00004 -0.00031 0.00640 -0.00246 0.00735 154 4XZ -0.00071 -0.00017 0.00224 -0.00141 -0.00211 155 4YZ -0.00223 0.00205 0.00780 -0.00591 -0.00363 156 20 O 1S 0.04205 -0.00511 -0.00996 -0.01690 -0.03800 157 2S -0.08309 0.01214 0.02402 0.03329 0.07674 158 2PX 0.04277 -0.00645 -0.14501 -0.12724 -0.06702 159 2PY -0.23592 0.02269 0.03642 0.10608 0.42882 160 2PZ -0.10955 0.02556 -0.20796 -0.09645 0.02964 161 3S -0.20044 0.01883 0.03386 0.07611 0.14368 162 3PX 0.03241 -0.00566 -0.10554 -0.08704 -0.04982 163 3PY -0.14416 0.01525 0.02265 0.07062 0.28868 164 3PZ -0.07330 0.01666 -0.13969 -0.05897 0.02121 165 4XX -0.00322 0.00103 -0.00438 -0.00842 -0.00006 166 4YY 0.01730 -0.00142 -0.00062 -0.00745 -0.02088 167 4ZZ 0.00541 -0.00012 0.00342 0.00722 0.00161 168 4XY -0.00004 0.00031 0.00640 0.00245 0.00735 169 4XZ -0.00072 -0.00017 -0.00223 -0.00141 0.00211 170 4YZ 0.00224 -0.00205 0.00780 0.00591 -0.00363 171 21 C 1S -0.03269 0.00013 0.00001 0.02121 0.00000 172 2S 0.07839 0.00083 -0.00002 -0.05260 -0.00001 173 2PX 0.17815 0.00214 -0.00002 0.02845 0.00000 174 2PY 0.00000 0.00000 -0.03361 -0.00001 -0.19040 175 2PZ -0.03347 0.01699 0.00001 0.15464 -0.00001 176 3S 0.09178 0.00137 -0.00002 -0.06900 -0.00001 177 3PX 0.08318 -0.00149 -0.00001 -0.00399 0.00000 178 3PY 0.00000 0.00000 -0.01580 0.00000 -0.01446 179 3PZ -0.03464 0.01632 0.00000 0.03412 0.00000 180 4XX -0.00204 -0.00069 0.00000 -0.01620 0.00000 181 4YY -0.00918 0.00214 0.00000 0.00339 0.00000 182 4ZZ 0.00965 -0.00097 0.00000 0.01463 0.00000 183 4XY 0.00000 0.00000 -0.01160 0.00000 -0.01991 184 4XZ -0.01078 0.00093 0.00000 0.00067 0.00000 185 4YZ 0.00000 0.00000 -0.01044 0.00000 0.01547 186 22 H 1S -0.06400 -0.00488 0.00000 -0.08561 -0.00001 187 2S -0.07099 -0.00242 0.00001 -0.07630 -0.00001 188 23 H 1S 0.03919 0.00178 0.00000 0.09797 0.00001 189 2S 0.03542 -0.00914 0.00001 0.13091 0.00001 36 37 38 39 40 O O O O O Eigenvalues -- -0.32446 -0.31752 -0.31365 -0.27944 -0.20259 1 1 C 1S -0.00833 0.00034 -0.00845 0.01279 -0.01123 2 2S 0.02604 0.00606 0.01485 -0.02271 0.01858 3 2PX -0.12301 0.05687 0.03228 0.11194 -0.25348 4 2PY 0.05964 0.18070 0.00584 -0.07576 0.08213 5 2PZ 0.22796 0.05066 -0.11090 0.03192 -0.15060 6 3S -0.02016 -0.02506 0.06614 -0.07273 0.06271 7 3PX -0.06023 0.02250 0.01282 0.06070 -0.18263 8 3PY -0.01187 0.04872 0.03153 -0.06349 0.04204 9 3PZ 0.09646 0.02272 -0.04927 0.03407 -0.13974 10 4XX -0.00161 0.00786 -0.00023 0.01067 -0.00565 11 4YY -0.00318 -0.02045 0.00094 0.00402 -0.00212 12 4ZZ 0.00414 0.00964 -0.00371 -0.01062 0.00802 13 4XY -0.00506 -0.00308 0.00191 0.00449 -0.00324 14 4XZ -0.00251 -0.00403 -0.00743 0.00258 0.00411 15 4YZ 0.00712 -0.00309 -0.00327 0.00417 -0.00200 16 2 H 1S -0.03581 -0.15286 0.00842 0.03601 -0.02013 17 2S -0.05538 -0.16916 0.00744 0.04509 -0.05095 18 3 C 1S -0.00229 0.00340 -0.00545 -0.00924 0.00398 19 2S -0.00624 -0.01041 0.01642 0.02029 -0.01526 20 2PX 0.13530 -0.00181 -0.08377 0.17591 -0.09506 21 2PY 0.01236 -0.20394 -0.01135 0.02247 0.02684 22 2PZ -0.10583 0.02121 0.05972 0.20400 -0.14891 23 3S 0.09090 0.00231 -0.02638 0.05382 0.03573 24 3PX 0.01267 -0.00602 -0.01466 0.11803 -0.09120 25 3PY 0.03971 -0.07732 -0.01978 -0.00070 0.06712 26 3PZ 0.00268 0.01962 -0.00240 0.13858 -0.09882 27 4XX -0.00059 0.00427 0.00064 -0.00606 0.00989 28 4YY -0.00172 -0.00804 -0.00077 0.00364 -0.00386 29 4ZZ 0.00569 0.00686 -0.00376 0.00086 -0.00538 30 4XY -0.01178 -0.00301 0.00631 0.00740 0.00495 31 4XZ -0.00538 -0.00631 0.00155 0.00129 -0.00056 32 4YZ 0.00940 0.00279 -0.00462 0.00371 0.01169 33 4 H 1S 0.11542 0.06716 -0.05885 -0.03021 0.02964 34 2S 0.14339 0.07831 -0.07749 -0.03505 0.04919 35 5 C 1S 0.00229 0.00340 0.00545 -0.00924 -0.00399 36 2S 0.00625 -0.01040 -0.01642 0.02030 0.01527 37 2PX -0.13532 -0.00193 0.08375 0.17588 0.09483 38 2PY 0.01228 0.20394 -0.01125 -0.02248 0.02681 39 2PZ 0.10582 0.02130 -0.05973 0.20400 0.14875 40 3S -0.09089 0.00230 0.02638 0.05386 -0.03568 41 3PX -0.01269 -0.00606 0.01465 0.11800 0.09101 42 3PY 0.03970 0.07733 -0.01975 0.00068 0.06712 43 3PZ -0.00268 0.01965 0.00239 0.13858 0.09871 44 4XX 0.00059 0.00427 -0.00064 -0.00606 -0.00990 45 4YY 0.00172 -0.00804 0.00077 0.00364 0.00385 46 4ZZ -0.00569 0.00685 0.00376 0.00086 0.00538 47 4XY -0.01178 0.00301 0.00631 -0.00740 0.00495 48 4XZ 0.00538 -0.00631 -0.00155 0.00129 0.00056 49 4YZ 0.00940 -0.00279 -0.00463 -0.00371 0.01170 50 6 H 1S -0.11544 0.06710 0.05888 -0.03022 -0.02965 51 2S -0.14341 0.07824 0.07751 -0.03506 -0.04920 52 7 C 1S 0.00833 0.00034 0.00845 0.01280 0.01123 53 2S -0.02604 0.00605 -0.01485 -0.02271 -0.01857 54 2PX 0.12298 0.05693 -0.03227 0.11192 0.25352 55 2PY 0.05976 -0.18071 0.00574 0.07575 0.08215 56 2PZ -0.22798 0.05049 0.11089 0.03189 0.15064 57 3S 0.02016 -0.02506 -0.06618 -0.07278 -0.06278 58 3PX 0.06023 0.02251 -0.01283 0.06068 0.18263 59 3PY -0.01182 -0.04874 0.03150 0.06350 0.04208 60 3PZ -0.09648 0.02266 0.04928 0.03405 0.13980 61 4XX 0.00161 0.00786 0.00023 0.01068 0.00563 62 4YY 0.00318 -0.02045 -0.00094 0.00402 0.00212 63 4ZZ -0.00414 0.00964 0.00372 -0.01062 -0.00801 64 4XY -0.00506 0.00308 0.00190 -0.00449 -0.00324 65 4XZ 0.00250 -0.00403 0.00743 0.00258 -0.00412 66 4YZ 0.00712 0.00308 -0.00327 -0.00417 -0.00200 67 8 H 1S 0.03584 -0.15286 -0.00848 0.03600 0.02014 68 2S 0.05541 -0.16916 -0.00751 0.04507 0.05098 69 9 C 1S 0.00940 0.00681 0.00509 0.00413 0.00810 70 2S -0.02503 -0.02043 -0.01024 -0.01326 -0.01299 71 2PX 0.01108 -0.00754 0.22397 -0.04076 -0.07360 72 2PY -0.01702 0.27350 -0.00144 -0.08918 0.01060 73 2PZ 0.25126 -0.02792 -0.03402 0.02518 -0.03549 74 3S -0.05379 -0.00840 -0.01033 -0.02300 -0.08429 75 3PX 0.00706 -0.00500 0.12025 -0.01005 -0.03361 76 3PY -0.00371 0.13030 -0.01148 -0.06205 0.00464 77 3PZ 0.11872 -0.02970 -0.05350 -0.01207 -0.03165 78 4XX 0.00711 0.00784 -0.00684 0.00234 0.00593 79 4YY -0.00012 -0.01247 0.00104 0.00222 0.00397 80 4ZZ -0.00289 0.00724 0.00524 -0.00661 -0.00855 81 4XY 0.00104 -0.00042 0.01478 0.00026 -0.00296 82 4XZ 0.00686 -0.00235 0.00888 -0.00422 -0.01224 83 4YZ 0.01500 0.00374 -0.00240 -0.00216 -0.00342 84 10 H 1S 0.11844 0.04240 0.08726 -0.03957 -0.08509 85 2S 0.12351 0.04996 0.10057 -0.03001 -0.09853 86 11 H 1S 0.03632 0.06321 -0.15124 0.01265 0.06462 87 2S 0.05768 0.06757 -0.11572 0.04604 0.12296 88 12 C 1S -0.00940 0.00681 -0.00509 0.00413 -0.00812 89 2S 0.02503 -0.02042 0.01023 -0.01326 0.01302 90 2PX -0.01108 -0.00740 -0.22399 -0.04077 0.07363 91 2PY -0.01689 -0.27350 -0.00160 0.08917 0.01063 92 2PZ -0.25126 -0.02807 0.03400 0.02518 0.03544 93 3S 0.05380 -0.00840 0.01034 -0.02303 0.08435 94 3PX -0.00706 -0.00493 -0.12027 -0.01007 0.03363 95 3PY -0.00365 -0.13029 -0.01158 0.06204 0.00465 96 3PZ -0.11871 -0.02978 0.05348 -0.01204 0.03161 97 4XX -0.00710 0.00784 0.00685 0.00235 -0.00594 98 4YY 0.00011 -0.01247 -0.00105 0.00222 -0.00397 99 4ZZ 0.00289 0.00724 -0.00524 -0.00661 0.00855 100 4XY 0.00105 0.00041 0.01478 -0.00026 -0.00296 101 4XZ -0.00686 -0.00235 -0.00887 -0.00422 0.01224 102 4YZ 0.01500 -0.00374 -0.00240 0.00217 -0.00342 103 13 H 1S -0.03630 0.06311 0.15128 0.01266 -0.06465 104 2S -0.05766 0.06747 0.11575 0.04605 -0.12298 105 14 H 1S -0.11848 0.04243 -0.08721 -0.03959 0.08507 106 2S -0.12355 0.04999 -0.10052 -0.03004 0.09848 107 15 C 1S 0.00019 -0.00381 0.00902 -0.01513 0.00018 108 2S -0.00743 0.00511 -0.01953 0.03734 -0.00374 109 2PX -0.01924 0.04858 -0.07253 0.03251 0.09264 110 2PY 0.00130 -0.07874 0.02422 -0.00966 0.01862 111 2PZ -0.03747 0.02113 -0.02581 -0.02111 0.12446 112 3S 0.05051 0.01183 -0.02262 0.04464 0.00457 113 3PX -0.04631 0.03463 -0.05566 0.01775 0.08183 114 3PY 0.03058 -0.02216 0.02035 -0.01427 -0.01616 115 3PZ 0.01067 0.02150 -0.02806 0.00266 0.08324 116 4XX 0.00264 -0.00298 0.01220 -0.01632 0.01170 117 4YY 0.00039 -0.00272 -0.00193 0.00361 -0.00294 118 4ZZ -0.00236 0.00593 -0.00810 0.00976 -0.00493 119 4XY 0.00180 0.00107 0.00437 -0.00209 -0.00587 120 4XZ 0.00246 -0.00246 0.00151 -0.00445 0.00734 121 4YZ 0.00297 0.00334 0.00199 0.00135 -0.00942 122 16 H 1S 0.00988 0.03763 -0.02569 0.04694 -0.07627 123 2S 0.02416 0.03566 -0.02100 0.03846 -0.09238 124 17 C 1S -0.00018 -0.00380 -0.00902 -0.01513 -0.00016 125 2S 0.00742 0.00510 0.01953 0.03734 0.00371 126 2PX 0.01920 0.04857 0.07254 0.03251 -0.09287 127 2PY 0.00123 0.07873 0.02424 0.00967 0.01856 128 2PZ 0.03745 0.02115 0.02581 -0.02111 -0.12464 129 3S -0.05051 0.01183 0.02263 0.04466 -0.00472 130 3PX 0.04628 0.03463 0.05567 0.01776 -0.08194 131 3PY 0.03057 0.02214 0.02035 0.01426 -0.01623 132 3PZ -0.01068 0.02150 0.02806 0.00268 -0.08337 133 4XX -0.00264 -0.00298 -0.01220 -0.01632 -0.01172 134 4YY -0.00039 -0.00272 0.00193 0.00362 0.00295 135 4ZZ 0.00235 0.00593 0.00810 0.00976 0.00493 136 4XY 0.00180 -0.00107 0.00437 0.00209 -0.00586 137 4XZ -0.00246 -0.00246 -0.00150 -0.00445 -0.00735 138 4YZ 0.00297 -0.00334 0.00199 -0.00135 -0.00941 139 18 H 1S -0.00992 0.03762 0.02570 0.04694 0.07629 140 2S -0.02420 0.03566 0.02102 0.03848 0.09245 141 19 O 1S 0.00132 0.00629 0.00297 0.00264 -0.00170 142 2S 0.00106 -0.01286 -0.00591 -0.00660 0.00134 143 2PX -0.10742 0.06758 -0.15781 0.12465 -0.09390 144 2PY -0.00273 0.03675 0.05791 -0.00370 -0.00851 145 2PZ -0.11464 0.07049 -0.25874 0.20790 -0.10097 146 3S -0.03135 -0.02670 -0.01300 -0.01127 0.01665 147 3PX -0.08333 0.04808 -0.11581 0.09188 -0.07836 148 3PY -0.00911 0.02582 0.03858 -0.00049 -0.00216 149 3PZ -0.07669 0.04866 -0.18076 0.15336 -0.08684 150 4XX -0.00119 0.00387 -0.00493 0.00583 0.00209 151 4YY 0.00101 0.00176 0.00247 0.00026 -0.00094 152 4ZZ 0.00290 -0.00237 0.00286 -0.00482 -0.00440 153 4XY -0.00481 0.00120 -0.00528 0.00379 -0.00314 154 4XZ -0.00009 0.00098 -0.00004 0.00145 0.00100 155 4YZ -0.00405 0.00347 -0.01054 0.00726 -0.00377 156 20 O 1S -0.00133 0.00628 -0.00296 0.00264 0.00169 157 2S -0.00106 -0.01286 0.00590 -0.00660 -0.00133 158 2PX 0.10737 0.06757 0.15781 0.12468 0.09416 159 2PY -0.00273 -0.03675 0.05784 0.00367 -0.00851 160 2PZ 0.11457 0.07044 0.25878 0.20795 0.10125 161 3S 0.03137 -0.02669 0.01298 -0.01128 -0.01655 162 3PX 0.08329 0.04807 0.11581 0.09190 0.07858 163 3PY -0.00910 -0.02582 0.03854 0.00047 -0.00217 164 3PZ 0.07664 0.04862 0.18079 0.15341 0.08706 165 4XX 0.00118 0.00387 0.00493 0.00583 -0.00210 166 4YY -0.00101 0.00176 -0.00246 0.00026 0.00093 167 4ZZ -0.00290 -0.00237 -0.00286 -0.00482 0.00439 168 4XY -0.00481 -0.00120 -0.00528 -0.00379 -0.00315 169 4XZ 0.00009 0.00098 0.00004 0.00145 -0.00100 170 4YZ -0.00405 -0.00347 -0.01054 -0.00726 -0.00377 171 21 C 1S 0.00000 -0.00504 0.00000 -0.00052 0.00000 172 2S -0.00001 0.01454 0.00000 0.00252 -0.00001 173 2PX 0.00001 -0.02467 0.00000 -0.06746 -0.00005 174 2PY -0.00526 0.00000 0.00577 0.00001 0.00392 175 2PZ 0.00003 -0.08753 -0.00002 -0.11830 -0.00002 176 3S -0.00001 0.01468 0.00000 0.00364 -0.00001 177 3PX 0.00000 -0.00079 0.00000 0.00063 -0.00001 178 3PY -0.00332 0.00000 0.00681 0.00000 0.00558 179 3PZ 0.00000 -0.01908 -0.00001 -0.00092 0.00004 180 4XX 0.00000 0.00934 0.00000 0.01750 0.00001 181 4YY 0.00000 -0.00038 0.00000 0.00286 0.00000 182 4ZZ 0.00001 -0.00943 0.00000 -0.02088 -0.00001 183 4XY 0.00589 0.00000 0.00906 0.00000 0.00710 184 4XZ 0.00000 0.00151 0.00000 0.00509 0.00000 185 4YZ 0.00777 0.00000 0.01525 0.00001 0.00790 186 22 H 1S -0.00002 0.05030 0.00001 0.09557 0.00006 187 2S -0.00002 0.05295 0.00001 0.12334 0.00010 188 23 H 1S 0.00002 -0.06040 -0.00001 -0.11233 -0.00005 189 2S 0.00003 -0.07533 -0.00001 -0.15584 -0.00010 41 42 43 44 45 O V V V V Eigenvalues -- -0.18388 0.00073 0.01775 0.08054 0.10705 1 1 C 1S 0.00396 0.03019 -0.00622 0.02367 -0.04327 2 2S -0.01945 -0.04870 0.03738 -0.04802 0.06349 3 2PX -0.05476 0.28156 0.00300 0.00674 -0.05144 4 2PY 0.01081 -0.10505 0.01527 0.07193 -0.07507 5 2PZ -0.03162 0.18266 -0.00806 0.00458 -0.01306 6 3S 0.04639 -0.24680 -0.11681 -0.26033 0.60231 7 3PX -0.01763 0.38316 -0.00900 0.01944 -0.16853 8 3PY 0.04391 -0.13119 -0.03244 0.17683 -0.22759 9 3PZ -0.05071 0.22326 -0.04300 0.05106 0.05706 10 4XX 0.01184 0.00134 -0.02179 -0.00082 -0.00393 11 4YY -0.00224 0.00136 0.00320 0.00837 -0.00760 12 4ZZ -0.00619 0.00796 0.01500 -0.00274 0.00147 13 4XY -0.00185 -0.00563 0.00052 0.00218 0.00102 14 4XZ 0.00693 0.00497 -0.01098 0.00660 0.00195 15 4YZ -0.00022 -0.00439 0.00075 0.00394 0.00100 16 2 H 1S -0.01130 0.00474 0.01068 0.03020 -0.02216 17 2S -0.00865 0.03963 0.02186 0.42935 -0.59369 18 3 C 1S 0.00456 -0.00374 0.00320 0.02125 -0.01237 19 2S -0.01474 -0.00402 -0.00978 -0.04978 0.00877 20 2PX 0.18149 -0.08184 -0.23064 -0.03829 0.07398 21 2PY -0.01874 0.02890 0.00044 0.03244 -0.04720 22 2PZ 0.13880 -0.08988 -0.19066 0.01483 -0.06607 23 3S -0.04374 0.06142 0.03942 -0.22482 0.31281 24 3PX 0.15153 -0.13774 -0.35173 -0.08763 0.14573 25 3PY -0.00031 0.01250 0.04973 0.05458 -0.07711 26 3PZ 0.10956 -0.13752 -0.21732 0.06468 -0.12251 27 4XX 0.00380 -0.01460 -0.00100 -0.00093 0.00349 28 4YY -0.00221 0.00276 0.00167 -0.00395 -0.00226 29 4ZZ -0.00318 0.00823 0.00075 0.00495 -0.00278 30 4XY 0.00567 -0.00626 0.01260 -0.00460 0.00561 31 4XZ 0.00079 0.00682 -0.00087 -0.00211 0.00101 32 4YZ 0.00699 -0.01321 0.01084 0.00539 -0.00609 33 4 H 1S 0.00786 -0.03011 0.00451 0.02665 -0.01575 34 2S 0.01334 -0.08537 0.05729 0.33435 -0.44850 35 5 C 1S 0.00456 -0.00373 -0.00321 0.02125 -0.01236 36 2S -0.01473 -0.00403 0.00977 -0.04978 0.00875 37 2PX 0.18163 -0.08219 0.23052 -0.03825 0.07395 38 2PY 0.01878 -0.02890 0.00040 -0.03245 0.04723 39 2PZ 0.13899 -0.09017 0.19051 0.01485 -0.06610 40 3S -0.04382 0.06151 -0.03929 -0.22475 0.31284 41 3PX 0.15168 -0.13825 0.35151 -0.08760 0.14564 42 3PY 0.00040 -0.01258 0.04973 -0.05461 0.07714 43 3PZ 0.10969 -0.13783 0.21709 0.06474 -0.12255 44 4XX 0.00379 -0.01460 0.00097 -0.00093 0.00349 45 4YY -0.00220 0.00276 -0.00167 -0.00395 -0.00226 46 4ZZ -0.00317 0.00823 -0.00073 0.00495 -0.00277 47 4XY -0.00566 0.00624 0.01261 0.00461 -0.00561 48 4XZ 0.00079 0.00682 0.00089 -0.00211 0.00101 49 4YZ -0.00698 0.01320 0.01086 -0.00539 0.00609 50 6 H 1S 0.00783 -0.03011 -0.00456 0.02665 -0.01575 51 2S 0.01328 -0.08528 -0.05748 0.33435 -0.44850 52 7 C 1S 0.00398 0.03019 0.00627 0.02367 -0.04327 53 2S -0.01947 -0.04864 -0.03745 -0.04801 0.06348 54 2PX -0.05446 0.28151 -0.00254 0.00672 -0.05138 55 2PY -0.01071 0.10502 0.01545 -0.07196 0.07511 56 2PZ -0.03143 0.18264 0.00838 0.00454 -0.01299 57 3S 0.04632 -0.24711 0.11640 -0.26041 0.60223 58 3PX -0.01737 0.38311 0.00970 0.01940 -0.16844 59 3PY -0.04387 0.13125 -0.03220 -0.17684 0.22770 60 3PZ -0.05055 0.22320 0.04342 0.05098 0.05717 61 4XX 0.01185 0.00131 0.02180 -0.00081 -0.00393 62 4YY -0.00224 0.00136 -0.00320 0.00838 -0.00760 63 4ZZ -0.00620 0.00799 -0.01498 -0.00274 0.00147 64 4XY 0.00185 0.00563 0.00054 -0.00218 -0.00101 65 4XZ 0.00692 0.00495 0.01099 0.00660 0.00196 66 4YZ 0.00022 0.00439 0.00076 -0.00394 -0.00100 67 8 H 1S -0.01128 0.00476 -0.01069 0.03021 -0.02217 68 2S -0.00859 0.03969 -0.02188 0.42939 -0.59381 69 9 C 1S 0.01203 -0.01465 0.01791 0.05155 0.00796 70 2S -0.02636 0.02482 -0.03458 -0.07538 -0.00396 71 2PX -0.01766 0.01046 -0.02747 0.10273 0.10072 72 2PY 0.00886 -0.01820 -0.03107 -0.05146 -0.02430 73 2PZ 0.04951 -0.01913 0.06190 -0.08208 0.01938 74 3S -0.04367 0.14746 -0.17720 -0.70400 -0.22490 75 3PX -0.01542 0.01416 -0.05644 0.19535 0.21469 76 3PY 0.00387 0.01423 -0.05448 -0.18419 -0.14209 77 3PZ 0.04322 -0.02029 0.06253 -0.15186 0.10121 78 4XX 0.00155 0.00610 0.00270 0.01093 -0.00018 79 4YY -0.00247 0.00556 -0.00060 -0.00341 -0.00088 80 4ZZ 0.00328 -0.01483 -0.00025 0.00202 -0.00131 81 4XY 0.00015 0.00607 -0.00138 -0.00359 -0.00205 82 4XZ 0.00309 -0.01387 0.00162 -0.00073 -0.00196 83 4YZ 0.00106 -0.00283 0.00267 0.00710 -0.00865 84 10 H 1S 0.01843 -0.06300 0.01135 0.01101 -0.02093 85 2S 0.04698 -0.21229 0.10013 0.30776 -0.21580 86 11 H 1S 0.00195 0.02784 0.01088 0.04179 0.01069 87 2S -0.01965 0.03953 0.02221 0.66068 0.31639 88 12 C 1S 0.01202 -0.01462 -0.01794 0.05154 0.00797 89 2S -0.02634 0.02477 0.03462 -0.07537 -0.00396 90 2PX -0.01759 0.01041 0.02752 0.10274 0.10073 91 2PY -0.00887 0.01827 -0.03102 0.05146 0.02433 92 2PZ 0.04954 -0.01901 -0.06193 -0.08205 0.01940 93 3S -0.04353 0.14724 0.17746 -0.70393 -0.22509 94 3PX -0.01540 0.01406 0.05652 0.19533 0.21468 95 3PY -0.00388 -0.01411 -0.05448 0.18418 0.14210 96 3PZ 0.04326 -0.02013 -0.06255 -0.15169 0.10138 97 4XX 0.00154 0.00611 -0.00268 0.01093 -0.00018 98 4YY -0.00248 0.00555 0.00061 -0.00341 -0.00088 99 4ZZ 0.00329 -0.01484 0.00023 0.00201 -0.00130 100 4XY -0.00016 -0.00606 -0.00139 0.00359 0.00205 101 4XZ 0.00311 -0.01387 -0.00165 -0.00073 -0.00195 102 4YZ -0.00107 0.00283 0.00267 -0.00710 0.00865 103 13 H 1S 0.00187 0.02788 -0.01081 0.04179 0.01069 104 2S -0.01982 0.03957 -0.02207 0.66055 0.31647 105 14 H 1S 0.01853 -0.06299 -0.01147 0.01100 -0.02091 106 2S 0.04708 -0.21218 -0.10058 0.30772 -0.21573 107 15 C 1S -0.01745 -0.01219 0.05085 0.01344 -0.00942 108 2S 0.03014 0.03396 -0.10479 -0.03749 -0.00242 109 2PX 0.20574 0.18574 -0.19853 -0.00455 0.09223 110 2PY -0.06893 -0.02705 0.07518 0.03201 -0.06619 111 2PZ 0.17366 0.11097 -0.19147 0.03911 -0.14816 112 3S 0.12666 0.01988 -0.28744 -0.15211 0.34087 113 3PX 0.12524 0.25884 -0.26934 -0.06622 0.19342 114 3PY -0.07529 -0.01051 0.26146 0.05895 -0.16196 115 3PZ 0.14064 0.10470 -0.11098 0.10026 -0.33560 116 4XX 0.00647 -0.00431 0.00569 0.00223 0.00590 117 4YY 0.00030 0.00072 0.00299 0.00002 -0.00770 118 4ZZ -0.00906 -0.00410 0.00519 0.00181 -0.00165 119 4XY 0.00979 0.01635 0.00936 -0.00052 0.00539 120 4XZ 0.00419 -0.01559 -0.00622 0.00103 -0.00492 121 4YZ 0.01167 0.01161 0.00719 0.00335 -0.01753 122 16 H 1S -0.00369 0.02724 0.04787 0.00987 -0.05371 123 2S -0.04094 0.06508 0.36563 0.28064 -0.72969 124 17 C 1S -0.01746 -0.01211 -0.05088 0.01345 -0.00941 125 2S 0.03016 0.03379 0.10486 -0.03750 -0.00244 126 2PX 0.20563 0.18536 0.19884 -0.00458 0.09237 127 2PY 0.06891 0.02689 0.07520 -0.03202 0.06618 128 2PZ 0.17351 0.11060 0.19164 0.03909 -0.14817 129 3S 0.12670 0.01949 0.28755 -0.15217 0.34094 130 3PX 0.12513 0.25839 0.26980 -0.06627 0.19361 131 3PY 0.07525 0.01009 0.26147 -0.05897 0.16186 132 3PZ 0.14054 0.10452 0.11117 0.10026 -0.33563 133 4XX 0.00646 -0.00430 -0.00570 0.00223 0.00590 134 4YY 0.00031 0.00073 -0.00299 0.00003 -0.00772 135 4ZZ -0.00906 -0.00409 -0.00519 0.00180 -0.00164 136 4XY -0.00980 -0.01637 0.00933 0.00052 -0.00538 137 4XZ 0.00418 -0.01561 0.00619 0.00103 -0.00492 138 4YZ -0.01168 -0.01163 0.00717 -0.00336 0.01752 139 18 H 1S -0.00360 0.02733 -0.04784 0.00988 -0.05369 140 2S -0.04083 0.06567 -0.36558 0.28068 -0.72961 141 19 O 1S 0.00655 -0.01031 -0.02215 0.01235 -0.01318 142 2S -0.00525 0.01802 0.04552 -0.03256 0.02440 143 2PX -0.18260 0.00061 0.09996 -0.01274 0.08416 144 2PY 0.01587 0.02185 0.03226 -0.01655 0.03230 145 2PZ -0.19928 -0.09646 0.07150 -0.00392 -0.02197 146 3S -0.07244 0.11104 0.17596 -0.11001 0.14636 147 3PX -0.15826 0.00793 0.08843 -0.03402 0.09997 148 3PY 0.00396 0.04215 0.03152 -0.07066 0.06715 149 3PZ -0.15779 -0.11464 0.08174 0.02852 -0.00730 150 4XX 0.00467 0.00062 -0.01655 -0.00367 -0.00397 151 4YY 0.00360 -0.00042 -0.00023 -0.00128 -0.00240 152 4ZZ 0.00188 -0.00697 0.00277 0.00115 -0.00095 153 4XY -0.00659 0.00140 0.00223 -0.00034 -0.00354 154 4XZ 0.00028 -0.00164 0.00179 0.01061 0.00417 155 4YZ -0.00263 0.00117 0.00209 -0.00273 -0.00300 156 20 O 1S 0.00655 -0.01035 0.02213 0.01236 -0.01323 157 2S -0.00525 0.01810 -0.04549 -0.03257 0.02447 158 2PX -0.18249 0.00082 -0.09994 -0.01273 0.08410 159 2PY -0.01584 -0.02188 0.03223 0.01655 -0.03236 160 2PZ -0.19917 -0.09631 -0.07164 -0.00391 -0.02194 161 3S -0.07247 0.11131 -0.17574 -0.11004 0.14694 162 3PX -0.15817 0.00810 -0.08840 -0.03400 0.09989 163 3PY -0.00393 -0.04217 0.03146 0.07066 -0.06730 164 3PZ -0.15769 -0.11448 -0.08192 0.02855 -0.00726 165 4XX 0.00467 0.00059 0.01655 -0.00367 -0.00399 166 4YY 0.00360 -0.00041 0.00023 -0.00128 -0.00241 167 4ZZ 0.00189 -0.00696 -0.00278 0.00115 -0.00097 168 4XY 0.00659 -0.00141 0.00223 0.00033 0.00354 169 4XZ 0.00028 -0.00164 -0.00179 0.01061 0.00418 170 4YZ 0.00263 -0.00117 0.00209 0.00273 0.00300 171 21 C 1S -0.00710 0.00103 0.00000 0.05938 0.04107 172 2S 0.02011 0.00542 0.00000 -0.10577 -0.05730 173 2PX 0.06795 -0.00191 0.00000 0.08475 0.06595 174 2PY 0.00000 -0.00007 0.09630 0.00003 -0.00012 175 2PZ 0.02480 -0.01847 -0.00001 -0.19354 -0.14969 176 3S 0.02807 -0.04113 -0.00006 -0.81325 -0.68514 177 3PX 0.00482 0.00376 0.00000 0.20938 0.14972 178 3PY 0.00001 -0.00013 0.17159 0.00008 -0.00027 179 3PZ -0.05081 -0.02698 -0.00001 -0.46186 -0.39346 180 4XX -0.01733 0.00086 0.00000 0.01000 0.00288 181 4YY 0.00142 -0.00405 0.00000 0.00025 -0.00462 182 4ZZ 0.01574 0.00309 0.00000 0.00731 0.00790 183 4XY 0.00000 0.00001 -0.01259 0.00000 0.00001 184 4XZ -0.00341 -0.00046 0.00000 0.00993 0.00572 185 4YZ 0.00000 0.00000 -0.00399 0.00000 -0.00001 186 22 H 1S -0.08511 0.00078 0.00000 0.04155 0.03565 187 2S -0.14179 -0.00784 0.00000 0.45514 0.34840 188 23 H 1S 0.07141 0.01648 0.00001 0.04042 0.04854 189 2S 0.13467 0.08381 0.00009 0.85693 0.76461 46 47 48 49 50 V V V V V Eigenvalues -- 0.11393 0.12099 0.12597 0.13278 0.14451 1 1 C 1S 0.00054 -0.00016 0.00226 0.01034 0.04922 2 2S -0.00355 -0.00869 -0.01184 -0.02383 -0.06803 3 2PX -0.00551 0.04256 0.19755 -0.00007 0.14973 4 2PY -0.03362 -0.07546 -0.16588 0.03921 0.13499 5 2PZ 0.00353 -0.01637 0.10574 0.02380 0.08600 6 3S 0.02222 0.05975 0.11389 -0.12027 -0.86243 7 3PX 0.05997 0.08372 0.29402 0.09066 0.31391 8 3PY -0.11750 -0.17281 -0.42576 0.08083 0.43390 9 3PZ -0.04769 0.06959 0.13844 0.16417 0.05155 10 4XX 0.00290 0.00493 -0.00620 -0.00138 0.00493 11 4YY -0.00086 -0.00815 -0.00499 0.01023 -0.00019 12 4ZZ -0.00150 0.00114 0.01368 -0.00739 0.00825 13 4XY -0.00220 -0.01159 -0.01127 -0.00402 -0.00341 14 4XZ 0.00320 -0.00461 0.00436 0.00033 0.00912 15 4YZ 0.00008 0.00087 -0.00995 -0.00514 0.00142 16 2 H 1S -0.00390 -0.02851 -0.04206 0.03300 0.00058 17 2S -0.14107 -0.26434 -0.54383 0.27423 0.92233 18 3 C 1S 0.00415 -0.03493 0.01115 0.02235 0.02785 19 2S -0.01520 0.04997 -0.03052 -0.05152 -0.05177 20 2PX 0.06997 0.04694 -0.13787 -0.04256 -0.09716 21 2PY 0.00078 -0.04871 -0.03639 0.02935 0.05041 22 2PZ 0.05108 -0.10421 -0.18524 0.05440 0.00101 23 3S -0.01727 0.55645 0.06238 -0.27892 -0.57247 24 3PX 0.08375 0.11666 -0.23807 -0.10978 -0.33558 25 3PY 0.01727 -0.19412 0.01609 0.09732 -0.06658 26 3PZ 0.07517 -0.20731 -0.30854 0.12359 0.08960 27 4XX 0.00094 -0.00630 -0.00910 0.00577 -0.00389 28 4YY 0.00025 0.00444 0.00999 -0.00436 -0.00481 29 4ZZ -0.00144 -0.00542 0.00439 -0.00074 0.00645 30 4XY -0.00317 0.00633 0.00753 -0.00921 0.00275 31 4XZ 0.00273 0.00425 0.00421 -0.00013 0.00279 32 4YZ -0.00276 -0.01038 0.00398 0.00226 0.00036 33 4 H 1S -0.01259 -0.05187 -0.00118 0.02787 -0.00131 34 2S 0.00299 -0.72356 -0.13489 0.44984 0.50718 35 5 C 1S -0.00416 -0.03496 -0.01110 0.02235 -0.02786 36 2S 0.01522 0.05004 0.03045 -0.05151 0.05181 37 2PX -0.06992 0.04720 0.13778 -0.04257 0.09710 38 2PY 0.00083 0.04870 -0.03648 -0.02937 0.05046 39 2PZ -0.05114 -0.10386 0.18538 0.05439 -0.00115 40 3S 0.01759 0.55637 -0.06331 -0.27896 0.57280 41 3PX -0.08363 0.11715 0.23787 -0.10974 0.33560 42 3PY 0.01736 0.19427 0.01572 -0.09728 -0.06635 43 3PZ -0.07528 -0.20675 0.30889 0.12352 -0.08980 44 4XX -0.00094 -0.00629 0.00911 0.00577 0.00388 45 4YY -0.00025 0.00442 -0.01000 -0.00436 0.00481 46 4ZZ 0.00144 -0.00543 -0.00438 -0.00074 -0.00644 47 4XY -0.00318 -0.00632 0.00755 0.00921 0.00276 48 4XZ -0.00273 0.00424 -0.00422 -0.00013 -0.00280 49 4YZ -0.00275 0.01039 0.00397 -0.00226 0.00037 50 6 H 1S 0.01258 -0.05187 0.00128 0.02786 0.00133 51 2S -0.00343 -0.72346 0.13608 0.44977 -0.50758 52 7 C 1S -0.00057 -0.00016 -0.00229 0.01036 -0.04922 53 2S 0.00359 -0.00868 0.01190 -0.02386 0.06801 54 2PX 0.00548 0.04218 -0.19763 -0.00004 -0.14969 55 2PY -0.03357 0.07523 -0.16599 -0.03923 0.13497 56 2PZ -0.00356 -0.01656 -0.10576 0.02380 -0.08595 57 3S -0.02182 0.05973 -0.11358 -0.12034 0.86248 58 3PX -0.06007 0.08317 -0.29421 0.09068 -0.31402 59 3PY -0.11736 0.17211 -0.42599 -0.08101 0.43377 60 3PZ 0.04767 0.06938 -0.13867 0.16422 -0.05120 61 4XX -0.00290 0.00494 0.00619 -0.00138 -0.00492 62 4YY 0.00085 -0.00814 0.00500 0.01022 0.00018 63 4ZZ 0.00150 0.00111 -0.01369 -0.00738 -0.00825 64 4XY -0.00220 0.01158 -0.01129 0.00401 -0.00341 65 4XZ -0.00320 -0.00462 -0.00436 0.00033 -0.00911 66 4YZ 0.00008 -0.00090 -0.00994 0.00514 0.00142 67 8 H 1S 0.00388 -0.02844 0.04210 0.03300 -0.00059 68 2S 0.14063 -0.26356 0.54398 0.27443 -0.92221 69 9 C 1S 0.01775 0.02316 -0.00004 0.03086 0.00116 70 2S -0.00100 -0.02354 0.01635 -0.03835 -0.02014 71 2PX 0.04845 -0.12686 -0.01370 -0.13203 -0.03692 72 2PY -0.01302 -0.03617 -0.09476 -0.05354 0.02946 73 2PZ -0.02590 -0.14566 -0.00786 -0.06922 0.04437 74 3S -0.38147 -0.46580 -0.11696 -0.52093 0.10378 75 3PX 0.16396 -0.35187 -0.06079 -0.34931 -0.13636 76 3PY 0.01254 -0.17251 -0.16551 -0.14172 -0.13968 77 3PZ -0.01024 -0.36971 0.01690 -0.17227 0.08227 78 4XX 0.00190 0.00575 -0.00078 0.00083 -0.00717 79 4YY 0.00218 0.00072 -0.00945 0.00113 0.00367 80 4ZZ 0.00266 -0.00178 0.01318 0.00380 0.00037 81 4XY 0.00156 0.01241 -0.00481 0.00260 -0.00208 82 4XZ 0.00160 0.01254 0.00906 -0.00073 0.00761 83 4YZ -0.00068 0.00386 0.00213 0.00434 0.00041 84 10 H 1S 0.00814 0.06620 0.05441 0.02682 0.03307 85 2S 0.03645 0.92692 0.27030 0.74665 0.09203 86 11 H 1S 0.00048 -0.03316 -0.02157 -0.01123 -0.03045 87 2S 0.27583 -0.16474 0.00147 -0.10886 -0.20817 88 12 C 1S -0.01775 0.02315 0.00001 0.03085 -0.00110 89 2S 0.00101 -0.02357 -0.01633 -0.03836 0.02008 90 2PX -0.04841 -0.12678 0.01393 -0.13204 0.03700 91 2PY -0.01302 0.03606 -0.09482 0.05356 0.02959 92 2PZ 0.02589 -0.14566 0.00814 -0.06921 -0.04445 93 3S 0.38138 -0.46549 0.11766 -0.52066 -0.10492 94 3PX -0.16385 -0.35156 0.06143 -0.34933 0.13670 95 3PY 0.01262 0.17239 -0.16575 0.14184 -0.13934 96 3PZ 0.01026 -0.36983 -0.01623 -0.17239 -0.08245 97 4XX -0.00190 0.00575 0.00078 0.00082 0.00719 98 4YY -0.00218 0.00073 0.00944 0.00113 -0.00367 99 4ZZ -0.00266 -0.00180 -0.01318 0.00379 -0.00037 100 4XY 0.00156 -0.01242 -0.00479 -0.00259 -0.00206 101 4XZ -0.00160 0.01252 -0.00908 -0.00073 -0.00761 102 4YZ -0.00067 -0.00386 0.00214 -0.00434 0.00041 103 13 H 1S -0.00048 -0.03312 0.02164 -0.01124 0.03053 104 2S -0.27568 -0.16465 -0.00111 -0.10897 0.20925 105 14 H 1S -0.00814 0.06610 -0.05452 0.02682 -0.03311 106 2S -0.03655 0.92637 -0.27195 0.74668 -0.09164 107 15 C 1S 0.01372 -0.00078 -0.05643 0.00408 0.02130 108 2S -0.04375 -0.02125 0.10855 -0.02736 -0.02793 109 2PX 0.19179 -0.03698 0.17158 0.12111 0.14892 110 2PY 0.07826 -0.00648 -0.05244 -0.04441 -0.00457 111 2PZ -0.02160 0.04370 0.08139 -0.19487 0.20581 112 3S -0.00114 0.03963 0.62218 0.18219 -0.42909 113 3PX 0.29892 -0.07530 0.44380 0.33618 0.15850 114 3PY 0.23079 -0.00273 -0.04906 -0.09225 0.07070 115 3PZ 0.00374 0.09954 -0.11545 -0.39063 0.56211 116 4XX 0.00135 -0.00568 -0.00782 0.00484 0.00315 117 4YY -0.00824 -0.00156 -0.00629 -0.01012 0.00608 118 4ZZ 0.00396 0.00547 -0.00576 0.00227 -0.00463 119 4XY -0.01102 -0.00252 -0.00544 0.01728 -0.00494 120 4XZ -0.00592 0.00512 -0.00373 -0.00606 -0.00874 121 4YZ 0.00256 0.01027 0.00000 -0.01977 -0.00821 122 16 H 1S 0.04502 0.02733 -0.02258 -0.06348 0.00314 123 2S 0.19009 0.14270 -0.55226 -0.66735 0.66945 124 17 C 1S -0.01372 -0.00069 0.05641 0.00409 -0.02139 125 2S 0.04376 -0.02144 -0.10848 -0.02737 0.02810 126 2PX -0.19177 -0.03728 -0.17156 0.12112 -0.14912 127 2PY 0.07828 0.00637 -0.05237 0.04447 -0.00436 128 2PZ 0.02155 0.04354 -0.08152 -0.19483 -0.20579 129 3S 0.00132 0.03867 -0.62187 0.18208 0.43027 130 3PX -0.29885 -0.07604 -0.44375 0.33615 -0.15879 131 3PY 0.23088 0.00258 -0.04890 0.09236 0.07140 132 3PZ -0.00386 0.09970 0.11517 -0.39051 -0.56213 133 4XX -0.00134 -0.00566 0.00783 0.00484 -0.00316 134 4YY 0.00823 -0.00155 0.00629 -0.01013 -0.00606 135 4ZZ -0.00396 0.00548 0.00575 0.00228 0.00462 136 4XY -0.01102 0.00251 -0.00544 -0.01728 -0.00492 137 4XZ 0.00591 0.00513 0.00373 -0.00606 0.00876 138 4YZ 0.00257 -0.01027 0.00002 0.01977 -0.00822 139 18 H 1S -0.04504 0.02737 0.02253 -0.06348 -0.00315 140 2S -0.19049 0.14359 0.55153 -0.66722 -0.67049 141 19 O 1S -0.07604 0.01471 0.00054 -0.02379 0.00096 142 2S 0.10872 -0.02770 -0.00819 0.05227 0.00494 143 2PX -0.10758 -0.05898 -0.02811 0.13344 -0.01896 144 2PY 0.11965 -0.04734 -0.03577 0.02686 0.02968 145 2PZ 0.06626 0.00089 -0.03171 -0.09906 -0.07990 146 3S 0.88473 -0.17510 0.05562 0.24678 -0.04681 147 3PX -0.16148 -0.09884 0.00176 0.22421 -0.04682 148 3PY 0.25979 -0.08087 -0.00754 0.06576 -0.00362 149 3PZ 0.10433 0.00216 -0.06824 -0.15244 -0.11356 150 4XX -0.03187 0.00400 0.00899 -0.00293 0.00466 151 4YY -0.01264 -0.00054 -0.00474 -0.00125 0.00418 152 4ZZ -0.03539 0.00483 -0.00464 -0.00104 -0.00613 153 4XY -0.00066 0.00354 0.00320 -0.00324 -0.00328 154 4XZ 0.01106 0.00574 -0.00501 -0.00130 0.00227 155 4YZ 0.00188 0.00290 -0.00218 0.00102 0.00013 156 20 O 1S 0.07603 0.01471 -0.00054 -0.02379 -0.00089 157 2S -0.10870 -0.02767 0.00821 0.05226 -0.00503 158 2PX 0.10760 -0.05895 0.02818 0.13345 0.01887 159 2PY 0.11963 0.04727 -0.03583 -0.02684 0.02976 160 2PZ -0.06623 0.00097 0.03174 -0.09910 0.08008 161 3S -0.88461 -0.17512 -0.05557 0.24668 0.04594 162 3PX 0.16150 -0.09886 -0.00163 0.22424 0.04675 163 3PY 0.25975 0.08084 -0.00763 -0.06569 -0.00347 164 3PZ -0.10425 0.00231 0.06831 -0.15250 0.11391 165 4XX 0.03186 0.00398 -0.00899 -0.00292 -0.00462 166 4YY 0.01264 -0.00053 0.00475 -0.00125 -0.00416 167 4ZZ 0.03538 0.00484 0.00464 -0.00104 0.00616 168 4XY -0.00066 -0.00353 0.00321 0.00324 -0.00326 169 4XZ -0.01106 0.00575 0.00500 -0.00130 -0.00229 170 4YZ 0.00187 -0.00290 -0.00217 -0.00102 0.00014 171 21 C 1S 0.00002 0.01471 -0.00003 -0.04308 -0.00008 172 2S -0.00003 -0.04618 0.00006 0.07876 0.00013 173 2PX 0.00000 0.09813 -0.00010 -0.02240 -0.00032 174 2PY 0.43295 -0.00004 -0.01786 0.00002 -0.01984 175 2PZ 0.00002 0.02296 -0.00005 0.01505 -0.00020 176 3S -0.00027 -0.19999 0.00036 0.57840 0.00128 177 3PX 0.00000 0.34870 -0.00034 -0.00155 -0.00082 178 3PY 1.04282 -0.00013 -0.09208 0.00006 -0.03436 179 3PZ 0.00003 0.07428 -0.00016 0.02638 -0.00049 180 4XX 0.00000 0.00427 -0.00001 0.00280 -0.00002 181 4YY -0.00001 -0.00065 0.00000 -0.01276 0.00000 182 4ZZ 0.00001 -0.00127 0.00000 0.00092 -0.00001 183 4XY -0.02225 0.00001 0.00774 0.00000 0.00158 184 4XZ 0.00000 0.00676 0.00000 0.00160 0.00000 185 4YZ 0.02400 0.00000 0.00035 0.00000 0.00671 186 22 H 1S 0.00001 0.02211 -0.00003 0.01549 -0.00009 187 2S 0.00011 0.52623 -0.00065 -0.27014 -0.00190 188 23 H 1S 0.00001 -0.00288 0.00000 0.00222 -0.00003 189 2S 0.00025 -0.06712 0.00007 -0.30551 0.00011 51 52 53 54 55 V V V V V Eigenvalues -- 0.14639 0.16447 0.16840 0.17585 0.19158 1 1 C 1S -0.00912 -0.01201 -0.07114 0.00914 -0.02465 2 2S 0.01555 0.01217 0.08390 -0.03181 0.07325 3 2PX -0.03640 0.07391 0.03324 -0.02460 0.01841 4 2PY -0.00032 -0.00446 -0.06360 0.09752 0.05171 5 2PZ 0.00106 0.04906 0.09627 0.03167 -0.03716 6 3S 0.10292 0.25191 1.26771 -0.06951 -0.01660 7 3PX -0.01128 0.14615 0.14613 -0.00376 0.07175 8 3PY -0.03333 0.07399 -0.21566 0.45374 -0.20393 9 3PZ -0.07985 0.11297 0.17257 0.34962 -0.13215 10 4XX -0.00374 0.00073 -0.00493 -0.00215 -0.00560 11 4YY 0.00227 0.00088 0.00140 0.00138 0.01033 12 4ZZ -0.00058 -0.00524 -0.01014 0.00079 -0.00932 13 4XY 0.00056 0.00148 -0.00179 0.00318 -0.00665 14 4XZ -0.00163 0.00230 0.00208 0.00028 0.00638 15 4YZ -0.00219 -0.00543 -0.00521 -0.01193 0.00572 16 2 H 1S 0.00809 0.00026 -0.01593 0.00523 0.02693 17 2S -0.08285 0.00142 -0.72520 0.54488 -0.08953 18 3 C 1S 0.01327 0.01412 0.03651 -0.02843 0.07928 19 2S -0.02544 0.02036 -0.03018 0.05211 -0.12155 20 2PX 0.00487 -0.07943 -0.05358 -0.04742 -0.08958 21 2PY 0.02654 0.04529 0.09655 0.03310 0.07075 22 2PZ 0.08177 -0.01750 0.01976 -0.04725 0.08737 23 3S -0.25959 -0.40107 -0.77834 0.29417 -1.03678 24 3PX -0.03850 -0.08629 -0.07032 0.04211 -0.46138 25 3PY 0.11456 0.14742 0.36388 -0.03423 0.31487 26 3PZ 0.11457 -0.00366 0.01945 -0.21501 0.62835 27 4XX 0.00488 -0.00326 -0.00031 0.00373 0.00720 28 4YY -0.00174 0.00482 0.00091 -0.01232 0.00927 29 4ZZ -0.00274 0.00724 0.00675 0.00116 0.00237 30 4XY 0.00011 -0.00639 -0.00261 0.00015 0.00364 31 4XZ 0.00208 -0.00762 -0.00404 -0.00165 -0.00495 32 4YZ 0.00437 -0.00468 -0.00797 0.00327 -0.00471 33 4 H 1S 0.00117 0.03898 0.01835 0.00830 0.05140 34 2S 0.32647 0.33814 0.63100 -0.24850 1.39940 35 5 C 1S 0.01321 0.01412 0.03651 0.02842 -0.07928 36 2S -0.02532 0.02036 -0.03020 -0.05210 0.12153 37 2PX 0.00513 -0.07945 -0.05357 0.04745 0.08960 38 2PY -0.02645 -0.04529 -0.09655 0.03313 0.07078 39 2PZ 0.08181 -0.01755 0.01973 0.04725 -0.08732 40 3S -0.25834 -0.40119 -0.77847 -0.29393 1.03681 41 3PX -0.03767 -0.08628 -0.07032 -0.04208 0.46133 42 3PY -0.11473 -0.14735 -0.36386 -0.03417 0.31506 43 3PZ 0.11445 -0.00385 0.01935 0.21497 -0.62824 44 4XX 0.00489 -0.00327 -0.00032 -0.00373 -0.00721 45 4YY -0.00173 0.00482 0.00091 0.01232 -0.00927 46 4ZZ -0.00276 0.00725 0.00676 -0.00116 -0.00237 47 4XY -0.00010 0.00639 0.00261 0.00015 0.00363 48 4XZ 0.00207 -0.00762 -0.00404 0.00165 0.00495 49 4YZ -0.00436 0.00468 0.00797 0.00327 -0.00471 50 6 H 1S 0.00117 0.03897 0.01833 -0.00831 -0.05142 51 2S 0.32539 0.33803 0.63104 0.24827 -1.39938 52 7 C 1S -0.00923 -0.01200 -0.07113 -0.00912 0.02463 53 2S 0.01570 0.01213 0.08389 0.03179 -0.07322 54 2PX -0.03679 0.07400 0.03329 0.02459 -0.01845 55 2PY 0.00057 0.00449 0.06362 0.09752 0.05172 56 2PZ 0.00083 0.04910 0.09631 -0.03166 0.03717 57 3S 0.10485 0.25181 1.26764 0.06923 0.01690 58 3PX -0.01209 0.14635 0.14623 0.00364 -0.07183 59 3PY 0.03420 -0.07408 0.21571 0.45379 -0.20380 60 3PZ -0.08001 0.11298 0.17261 -0.34953 0.13208 61 4XX -0.00375 0.00073 -0.00493 0.00215 0.00560 62 4YY 0.00227 0.00087 0.00140 -0.00137 -0.01034 63 4ZZ -0.00060 -0.00523 -0.01014 -0.00080 0.00932 64 4XY -0.00057 -0.00148 0.00179 0.00318 -0.00665 65 4XZ -0.00166 0.00230 0.00208 -0.00028 -0.00638 66 4YZ 0.00219 0.00543 0.00522 -0.01193 0.00571 67 8 H 1S 0.00811 0.00025 -0.01595 -0.00523 -0.02695 68 2S -0.08476 0.00148 -0.72528 -0.54472 0.08917 69 9 C 1S -0.02366 0.00686 0.03514 -0.10381 0.01877 70 2S 0.01932 -0.01798 -0.03692 0.07721 0.00225 71 2PX -0.04211 0.01211 -0.08509 -0.00903 -0.00685 72 2PY 0.05093 -0.00863 -0.04359 0.00150 0.09569 73 2PZ 0.06252 0.07217 0.04918 0.10733 -0.03237 74 3S 0.46118 -0.03999 -0.57289 2.09095 -0.55400 75 3PX -0.15152 -0.04894 -0.28599 0.09461 0.03325 76 3PY 0.12854 -0.01250 -0.25541 -0.36690 0.40871 77 3PZ 0.12247 0.15571 0.21124 0.22314 0.04388 78 4XX -0.00582 0.00291 -0.00236 -0.00366 -0.00145 79 4YY -0.00267 -0.00105 -0.00232 -0.01319 0.00982 80 4ZZ 0.00178 -0.00071 0.01050 -0.00364 -0.00736 81 4XY 0.00458 0.00381 0.01026 0.00074 -0.00071 82 4XZ 0.00176 -0.00107 -0.00625 0.00031 0.00458 83 4YZ -0.00196 -0.00402 -0.01171 0.00113 -0.00244 84 10 H 1S 0.01057 -0.00899 -0.00537 -0.01027 -0.00915 85 2S -0.18236 -0.13356 0.31795 -0.86104 -0.00886 86 11 H 1S -0.03254 -0.00687 -0.02833 -0.00875 -0.01765 87 2S -0.48560 -0.06424 -0.12856 -0.66708 -0.03352 88 12 C 1S -0.02366 0.00688 0.03514 0.10380 -0.01877 89 2S 0.01936 -0.01800 -0.03693 -0.07721 -0.00225 90 2PX -0.04202 0.01209 -0.08511 0.00906 0.00686 91 2PY -0.05092 0.00867 0.04362 0.00152 0.09566 92 2PZ 0.06240 0.07215 0.04916 -0.10737 0.03244 93 3S 0.46096 -0.04024 -0.57302 -2.09091 0.55408 94 3PX -0.15118 -0.04899 -0.28610 -0.09452 -0.03322 95 3PY -0.12896 0.01263 0.25547 -0.36687 0.40874 96 3PZ 0.12219 0.15559 0.21119 -0.22333 -0.04369 97 4XX -0.00581 0.00291 -0.00236 0.00366 0.00145 98 4YY -0.00267 -0.00105 -0.00233 0.01319 -0.00983 99 4ZZ 0.00178 -0.00070 0.01051 0.00364 0.00736 100 4XY -0.00458 -0.00380 -0.01026 0.00074 -0.00071 101 4XZ 0.00173 -0.00107 -0.00626 -0.00031 -0.00457 102 4YZ 0.00196 0.00402 0.01170 0.00113 -0.00244 103 13 H 1S -0.03247 -0.00687 -0.02832 0.00876 0.01763 104 2S -0.48506 -0.06408 -0.12849 0.66714 0.03347 105 14 H 1S 0.01047 -0.00896 -0.00537 0.01027 0.00916 106 2S -0.18269 -0.13324 0.31813 0.86107 0.00873 107 15 C 1S 0.03450 -0.05663 -0.01783 -0.03435 -0.05040 108 2S -0.07203 0.09109 0.04372 0.05075 0.07206 109 2PX 0.07559 -0.05509 -0.06616 0.01822 -0.03755 110 2PY 0.06209 -0.11932 -0.06961 0.02975 -0.00252 111 2PZ -0.03739 0.01810 0.06597 -0.10778 -0.14105 112 3S -0.45670 0.93119 0.09778 0.49454 0.83699 113 3PX 0.11098 -0.18766 -0.12438 0.19043 0.07248 114 3PY 0.22040 -0.47409 0.00574 -0.07817 0.04747 115 3PZ -0.05242 0.02251 0.12786 -0.40422 -0.39424 116 4XX 0.00513 -0.00988 -0.00518 -0.00030 -0.00431 117 4YY -0.00731 0.01045 -0.00224 -0.01475 -0.00936 118 4ZZ 0.00441 -0.00381 0.00294 0.00162 0.00092 119 4XY 0.00810 -0.00085 -0.01023 -0.00256 0.00067 120 4XZ -0.00847 0.01377 0.00496 0.00272 0.00670 121 4YZ -0.00352 0.00841 0.01300 0.00600 0.00735 122 16 H 1S 0.00219 -0.01546 0.04974 -0.01670 -0.02507 123 2S 0.30798 -0.73125 0.11172 -0.61229 -0.73830 124 17 C 1S 0.03447 -0.05663 -0.01782 0.03436 0.05044 125 2S -0.07200 0.09110 0.04370 -0.05077 -0.07213 126 2PX 0.07521 -0.05506 -0.06612 -0.01817 0.03759 127 2PY -0.06211 0.11935 0.06960 0.02971 -0.00265 128 2PZ -0.03787 0.01820 0.06607 0.10778 0.14110 129 3S -0.45602 0.93119 0.09766 -0.49466 -0.83759 130 3PX 0.11051 -0.18764 -0.12436 -0.19033 -0.07242 131 3PY -0.22022 0.47406 -0.00588 -0.07833 0.04712 132 3PZ -0.05363 0.02273 0.12813 0.40417 0.39431 133 4XX 0.00513 -0.00988 -0.00518 0.00031 0.00431 134 4YY -0.00733 0.01045 -0.00223 0.01474 0.00936 135 4ZZ 0.00442 -0.00381 0.00293 -0.00162 -0.00092 136 4XY -0.00811 0.00085 0.01023 -0.00256 0.00067 137 4XZ -0.00845 0.01377 0.00495 -0.00273 -0.00670 138 4YZ 0.00350 -0.00841 -0.01299 0.00601 0.00735 139 18 H 1S 0.00218 -0.01546 0.04975 0.01669 0.02505 140 2S 0.30671 -0.73114 0.11207 0.61232 0.73889 141 19 O 1S -0.03334 0.06781 -0.01619 -0.01224 -0.00270 142 2S 0.04551 -0.08968 0.01468 -0.00154 0.00022 143 2PX 0.03714 -0.07736 -0.10216 -0.05599 -0.01810 144 2PY 0.05071 -0.17651 0.09894 0.03924 -0.02212 145 2PZ -0.06993 0.03778 0.11573 0.01245 0.05099 146 3S 0.39159 -0.89165 0.25025 0.24887 0.06016 147 3PX 0.02449 -0.19243 -0.17014 -0.03800 -0.00570 148 3PY 0.09080 -0.33440 0.22548 0.07500 0.00177 149 3PZ -0.14469 0.06722 0.18152 0.03599 0.06811 150 4XX -0.01739 0.02449 -0.00202 -0.01333 -0.00332 151 4YY -0.00955 0.01808 -0.00867 -0.00727 -0.00412 152 4ZZ -0.01399 0.02992 -0.00755 -0.00449 0.00520 153 4XY 0.00821 -0.00685 0.00541 0.00261 0.00395 154 4XZ 0.00482 0.00458 -0.00808 0.00512 -0.00251 155 4YZ 0.00387 0.00884 -0.00288 -0.00747 -0.00290 156 20 O 1S -0.03333 0.06782 -0.01619 0.01223 0.00272 157 2S 0.04549 -0.08968 0.01469 0.00156 -0.00023 158 2PX 0.03719 -0.07735 -0.10216 0.05602 0.01820 159 2PY -0.05064 0.17652 -0.09896 0.03922 -0.02199 160 2PZ -0.06976 0.03780 0.11569 -0.01247 -0.05106 161 3S 0.39162 -0.89175 0.25021 -0.24876 -0.06034 162 3PX 0.02459 -0.19243 -0.17016 0.03805 0.00591 163 3PY -0.09077 0.33443 -0.22551 0.07497 0.00202 164 3PZ -0.14446 0.06725 0.18143 -0.03602 -0.06824 165 4XX -0.01740 0.02450 -0.00201 0.01333 0.00332 166 4YY -0.00956 0.01808 -0.00867 0.00727 0.00413 167 4ZZ -0.01397 0.02992 -0.00755 0.00448 -0.00520 168 4XY -0.00822 0.00685 -0.00541 0.00261 0.00395 169 4XZ 0.00481 0.00458 -0.00808 -0.00512 0.00252 170 4YZ -0.00387 -0.00884 0.00288 -0.00747 -0.00290 171 21 C 1S 0.07714 -0.06199 0.07431 0.00000 -0.00003 172 2S -0.11734 0.10677 -0.12227 0.00000 0.00005 173 2PX 0.28357 0.30325 -0.17996 -0.00002 0.00001 174 2PY -0.00003 0.00004 0.00001 0.15174 0.06058 175 2PZ 0.18170 -0.00528 0.01879 0.00000 -0.00007 176 3S -1.16967 0.57734 -0.91442 -0.00001 0.00040 177 3PX 0.73272 0.83567 -0.54234 -0.00007 0.00007 178 3PY -0.00007 0.00010 -0.00001 0.24410 0.06570 179 3PZ 0.45672 -0.03852 0.11071 -0.00002 -0.00024 180 4XX 0.01254 -0.00292 -0.00446 0.00000 0.00000 181 4YY -0.00231 -0.00380 0.01987 0.00000 -0.00001 182 4ZZ 0.00640 -0.00060 -0.00850 0.00000 0.00000 183 4XY 0.00000 -0.00001 0.00000 -0.01054 -0.00318 184 4XZ -0.00293 0.02106 -0.01077 0.00000 0.00000 185 4YZ 0.00001 0.00000 0.00000 0.00410 -0.00304 186 22 H 1S 0.07504 0.01844 -0.03596 0.00000 0.00001 187 2S 1.71944 0.63594 -0.14475 -0.00008 -0.00024 188 23 H 1S 0.02855 -0.01661 -0.02121 0.00001 0.00002 189 2S -0.11525 -0.51879 0.47393 0.00008 0.00010 56 57 58 59 60 V V V V V Eigenvalues -- 0.19229 0.20308 0.22876 0.23538 0.24294 1 1 C 1S -0.04848 0.04747 0.01903 -0.02596 0.04843 2 2S 0.06110 -0.07401 -0.02570 0.04311 -0.05318 3 2PX -0.01618 0.01877 0.00844 -0.02873 0.03393 4 2PY -0.06127 0.11879 0.09908 -0.01219 -0.17853 5 2PZ 0.04025 -0.00361 0.08206 0.00954 -0.19305 6 3S 0.78847 -0.49958 -0.32219 0.41157 -0.89999 7 3PX -0.15592 0.09787 0.03903 -0.39795 0.21935 8 3PY -0.26879 0.70356 0.47089 -0.13420 -0.91648 9 3PZ 0.13503 0.03156 0.26027 -0.00038 -0.85952 10 4XX -0.00311 -0.00249 0.00449 -0.00602 0.00231 11 4YY -0.00418 0.00651 -0.00249 0.00449 -0.00044 12 4ZZ -0.00278 0.00592 0.00185 -0.00257 0.00501 13 4XY 0.00117 0.00629 -0.00386 0.01031 -0.00162 14 4XZ 0.00019 -0.00496 -0.00852 0.01283 -0.00078 15 4YZ 0.00031 -0.00032 -0.00839 0.00369 0.00452 16 2 H 1S -0.03004 0.07843 0.00256 0.02159 -0.01322 17 2S -0.64561 1.08379 0.67724 -0.30404 -0.68811 18 3 C 1S 0.01259 -0.04036 -0.01695 -0.00979 0.00729 19 2S -0.03354 0.11106 0.06522 -0.00436 -0.00115 20 2PX 0.01101 0.00853 -0.00699 0.06101 -0.07606 21 2PY 0.02641 0.00169 -0.03224 0.05393 0.10084 22 2PZ 0.04574 -0.04026 0.02213 0.00791 0.08287 23 3S -0.14729 0.15708 0.21875 0.50995 -0.41720 24 3PX -0.03700 0.34124 0.01356 0.07212 -0.26008 25 3PY 0.12558 -0.23725 -0.21032 0.29239 0.33486 26 3PZ 0.05719 -0.42914 -0.08727 0.05268 0.42016 27 4XX 0.00071 0.00334 0.00219 0.00209 -0.00408 28 4YY -0.00269 -0.01129 0.00528 -0.00613 0.01273 29 4ZZ 0.00075 0.00373 -0.00133 0.00527 -0.00895 30 4XY 0.00508 -0.00321 -0.00844 -0.00181 0.00853 31 4XZ 0.00207 -0.00145 -0.00353 -0.00557 0.01196 32 4YZ -0.00321 0.00497 0.00305 -0.00092 0.00205 33 4 H 1S -0.01658 -0.00319 0.01835 0.02264 -0.03822 34 2S 0.23662 -0.68276 -0.22600 -0.00418 0.72971 35 5 C 1S 0.01264 0.04036 -0.01694 0.00980 0.00728 36 2S -0.03362 -0.11106 0.06521 0.00431 -0.00116 37 2PX 0.01094 -0.00855 -0.00703 -0.06114 -0.07594 38 2PY -0.02645 0.00168 0.03225 0.05380 -0.10092 39 2PZ 0.04579 0.04026 0.02213 -0.00781 0.08280 40 3S -0.14791 -0.15704 0.21837 -0.51039 -0.41668 41 3PX -0.03733 -0.34125 0.01353 -0.07255 -0.25980 42 3PY -0.12581 -0.23742 0.21045 0.29195 -0.33521 43 3PZ 0.05760 0.42913 -0.08724 -0.05197 0.41996 44 4XX 0.00071 -0.00334 0.00218 -0.00209 -0.00408 45 4YY -0.00268 0.01129 0.00528 0.00613 0.01272 46 4ZZ 0.00075 -0.00373 -0.00133 -0.00528 -0.00894 47 4XY -0.00508 -0.00321 0.00844 -0.00182 -0.00854 48 4XZ 0.00207 0.00145 -0.00352 0.00558 0.01195 49 4YZ 0.00321 0.00497 -0.00305 -0.00092 -0.00205 50 6 H 1S -0.01655 0.00319 0.01834 -0.02268 -0.03819 51 2S 0.23753 0.68281 -0.22595 0.00520 0.72943 52 7 C 1S -0.04849 -0.04746 0.01904 0.02602 0.04841 53 2S 0.06114 0.07400 -0.02574 -0.04317 -0.05314 54 2PX -0.01617 -0.01880 0.00846 0.02873 0.03389 55 2PY 0.06124 0.11880 -0.09910 -0.01195 0.17862 56 2PZ 0.04024 0.00363 0.08201 -0.00979 -0.19301 57 3S 0.78847 0.49938 -0.32228 -0.41285 -0.89962 58 3PX -0.15592 -0.09799 0.03935 0.39815 0.21879 59 3PY 0.26893 0.70363 -0.47105 -0.13285 0.91695 60 3PZ 0.13504 -0.03145 0.26010 -0.00077 -0.85944 61 4XX -0.00311 0.00248 0.00450 0.00602 0.00230 62 4YY -0.00417 -0.00651 -0.00250 -0.00449 -0.00043 63 4ZZ -0.00279 -0.00592 0.00186 0.00258 0.00500 64 4XY -0.00116 0.00629 0.00386 0.01032 0.00162 65 4XZ 0.00019 0.00496 -0.00852 -0.01282 -0.00076 66 4YZ -0.00031 -0.00032 0.00839 0.00368 -0.00454 67 8 H 1S -0.03003 -0.07843 0.00254 -0.02161 -0.01318 68 2S -0.64573 -1.08379 0.67736 0.30306 -0.68843 69 9 C 1S 0.01189 0.07076 -0.03067 -0.01925 -0.06261 70 2S -0.00948 -0.09511 0.05615 0.03067 0.04815 71 2PX -0.01681 -0.04169 -0.11429 -0.30101 -0.01113 72 2PY 0.00087 0.01252 0.05682 0.03450 0.06982 73 2PZ 0.05063 -0.07292 0.07349 -0.10806 -0.09709 74 3S -0.25664 -0.91663 0.47479 0.23369 1.34197 75 3PX -0.08681 -0.02943 -0.49196 -1.20461 0.11764 76 3PY -0.16475 -0.05883 0.19597 0.19701 0.35271 77 3PZ 0.17539 -0.32458 0.31495 -0.45036 -0.83698 78 4XX -0.00150 0.00176 -0.01560 0.00000 0.01068 79 4YY -0.00298 0.01349 0.00367 -0.00045 0.00196 80 4ZZ 0.00494 0.00457 0.00811 -0.00369 -0.02398 81 4XY 0.00696 0.00048 0.01736 -0.00766 0.00049 82 4XZ 0.00010 -0.00169 0.00805 0.00167 0.01400 83 4YZ -0.00939 -0.00437 -0.00319 -0.00302 0.01286 84 10 H 1S 0.00330 0.01524 0.03774 0.02258 0.06429 85 2S 0.02639 0.72083 -0.08589 1.06796 0.04824 86 11 H 1S -0.03041 0.02091 -0.12170 -0.04099 0.02766 87 2S -0.08944 0.41862 -1.03811 -1.30709 -0.25880 88 12 C 1S 0.01190 -0.07076 -0.03067 0.01920 -0.06260 89 2S -0.00948 0.09511 0.05614 -0.03066 0.04815 90 2PX -0.01677 0.04169 -0.11415 0.30103 -0.01149 91 2PY -0.00094 0.01249 -0.05683 0.03443 -0.06997 92 2PZ 0.05061 0.07293 0.07350 0.10799 -0.09717 93 3S -0.25707 0.91680 0.47479 -0.23240 1.34170 94 3PX -0.08668 0.02944 -0.49141 1.20500 0.11639 95 3PY 0.16444 -0.05897 -0.19593 0.19661 -0.35328 96 3PZ 0.17545 0.32450 0.31501 0.44942 -0.83726 97 4XX -0.00150 -0.00176 -0.01560 0.00003 0.01066 98 4YY -0.00297 -0.01349 0.00367 0.00045 0.00198 99 4ZZ 0.00494 -0.00457 0.00812 0.00365 -0.02399 100 4XY -0.00696 0.00048 -0.01737 -0.00765 -0.00049 101 4XZ 0.00010 0.00169 0.00804 -0.00166 0.01401 102 4YZ 0.00939 -0.00437 0.00319 -0.00303 -0.01285 103 13 H 1S -0.03041 -0.02090 -0.12169 0.04110 0.02758 104 2S -0.08924 -0.41858 -1.03747 1.30743 -0.26058 105 14 H 1S 0.00328 -0.01524 0.03772 -0.02254 0.06431 106 2S 0.02626 -0.72091 -0.08652 -1.06785 0.04931 107 15 C 1S 0.05062 -0.04094 -0.01087 0.01230 -0.01416 108 2S -0.08621 0.09714 -0.00319 -0.01723 0.01965 109 2PX 0.03875 -0.00410 0.01472 0.02002 -0.00328 110 2PY 0.14697 -0.03209 -0.03001 0.02842 -0.02351 111 2PZ 0.03437 -0.10525 -0.01126 -0.00762 -0.02000 112 3S -0.79129 0.30952 0.23221 -0.10980 0.24538 113 3PX 0.04199 0.15859 -0.05033 -0.07920 0.02370 114 3PY 0.34717 -0.46169 -0.11892 0.15629 -0.09435 115 3PZ 0.03501 -0.44875 0.00201 0.00244 0.02964 116 4XX 0.00060 -0.00530 -0.00556 0.00792 -0.00268 117 4YY 0.00328 -0.00952 0.00056 0.00073 0.00227 118 4ZZ 0.00369 0.00033 0.00026 -0.00162 -0.00149 119 4XY 0.00752 0.00047 0.00013 -0.00334 -0.00630 120 4XZ 0.00085 0.00239 0.00290 -0.00338 -0.00138 121 4YZ -0.00793 0.00621 -0.00107 -0.00022 -0.00017 122 16 H 1S -0.01767 -0.02568 0.00147 0.00380 0.00550 123 2S 0.72568 -0.90763 -0.16144 0.15308 -0.23371 124 17 C 1S 0.05058 0.04093 -0.01089 -0.01233 -0.01414 125 2S -0.08614 -0.09713 -0.00318 0.01726 0.01964 126 2PX 0.03872 0.00411 0.01472 -0.02004 -0.00325 127 2PY -0.14698 -0.03208 0.03002 0.02845 0.02348 128 2PZ 0.03425 0.10525 -0.01126 0.00760 -0.02002 129 3S -0.79069 -0.30939 0.23237 0.11020 0.24524 130 3PX 0.04205 -0.15856 -0.05030 0.07929 0.02370 131 3PY -0.34723 -0.46175 0.11897 0.15644 0.09424 132 3PZ 0.03470 0.44865 0.00203 -0.00236 0.02956 133 4XX 0.00060 0.00530 -0.00557 -0.00792 -0.00267 134 4YY 0.00327 0.00951 0.00056 -0.00073 0.00227 135 4ZZ 0.00369 -0.00032 0.00026 0.00161 -0.00149 136 4XY -0.00752 0.00047 -0.00013 -0.00333 0.00631 137 4XZ 0.00085 -0.00238 0.00291 0.00337 -0.00138 138 4YZ 0.00793 0.00622 0.00107 -0.00022 0.00017 139 18 H 1S -0.01769 0.02566 0.00146 -0.00379 0.00549 140 2S 0.72518 0.90751 -0.16155 -0.15345 -0.23370 141 19 O 1S 0.02267 -0.00461 0.00738 -0.00661 0.00646 142 2S -0.02706 -0.01037 -0.01069 0.01109 -0.01164 143 2PX 0.15615 -0.01809 0.03638 -0.02054 -0.00332 144 2PY -0.19792 -0.01342 -0.04632 0.05545 -0.03493 145 2PZ -0.09186 0.05723 0.09590 -0.02913 0.02185 146 3S -0.32197 0.14185 -0.12059 0.06566 -0.09896 147 3PX 0.30581 -0.00348 0.03244 -0.00452 -0.01377 148 3PY -0.38001 0.05626 -0.05641 0.02713 -0.03115 149 3PZ -0.18967 0.08521 0.15523 -0.01530 0.05699 150 4XX 0.00856 -0.00484 0.00306 -0.00935 0.00253 151 4YY 0.00974 -0.00473 0.00656 -0.00062 0.00057 152 4ZZ 0.00685 -0.00684 -0.00459 0.00114 0.00111 153 4XY -0.00407 0.00112 -0.00603 0.00121 -0.00093 154 4XZ 0.00962 -0.00562 0.00355 0.00703 0.00303 155 4YZ 0.00344 0.00009 0.00003 -0.00631 -0.00223 156 20 O 1S 0.02268 0.00462 0.00739 0.00662 0.00645 157 2S -0.02707 0.01037 -0.01070 -0.01110 -0.01163 158 2PX 0.15614 0.01809 0.03637 0.02048 -0.00335 159 2PY 0.19798 -0.01337 0.04631 0.05541 0.03486 160 2PZ -0.09177 -0.05723 0.09591 0.02911 0.02181 161 3S -0.32203 -0.14197 -0.12065 -0.06568 -0.09884 162 3PX 0.30580 0.00348 0.03241 0.00442 -0.01375 163 3PY 0.38009 0.05633 0.05639 0.02705 0.03108 164 3PZ -0.18954 -0.08520 0.15524 0.01531 0.05695 165 4XX 0.00856 0.00484 0.00306 0.00934 0.00251 166 4YY 0.00974 0.00473 0.00656 0.00062 0.00057 167 4ZZ 0.00685 0.00685 -0.00459 -0.00113 0.00111 168 4XY 0.00406 0.00112 0.00603 0.00121 0.00092 169 4XZ 0.00962 0.00562 0.00355 -0.00703 0.00304 170 4YZ -0.00343 0.00009 -0.00003 -0.00630 0.00224 171 21 C 1S -0.09803 -0.00001 0.03331 0.00001 0.01038 172 2S 0.16900 0.00001 -0.02611 -0.00004 -0.03691 173 2PX 0.08640 0.00001 0.02156 -0.00005 -0.03066 174 2PY 0.00002 0.00250 0.00005 0.12703 -0.00008 175 2PZ -0.21223 0.00000 -0.30173 0.00002 -0.13993 176 3S 1.23268 0.00012 -0.77758 0.00001 -0.20142 177 3PX 0.32877 0.00005 -0.19345 -0.00007 -0.06221 178 3PY 0.00012 0.13156 0.00010 0.06873 0.00002 179 3PZ -0.66926 0.00001 -0.85417 0.00005 -0.34550 180 4XX 0.00781 0.00000 -0.00821 0.00000 -0.00515 181 4YY -0.02662 0.00000 -0.00240 0.00000 -0.00543 182 4ZZ 0.01483 0.00000 0.01853 0.00000 0.00512 183 4XY 0.00000 0.00282 0.00000 -0.01366 0.00001 184 4XZ 0.01855 0.00000 0.00093 0.00000 0.00371 185 4YZ 0.00000 -0.00082 0.00000 0.00371 0.00000 186 22 H 1S 0.03388 0.00000 -0.03006 0.00000 -0.00876 187 2S -0.55670 0.00000 -0.23259 -0.00008 -0.16513 188 23 H 1S 0.05690 0.00000 0.10971 -0.00001 0.03853 189 2S 0.14026 -0.00007 1.58273 -0.00004 0.61013 61 62 63 64 65 V V V V V Eigenvalues -- 0.25297 0.30958 0.31385 0.32789 0.35850 1 1 C 1S -0.00053 0.05373 0.05026 0.01651 0.00348 2 2S -0.02273 -0.05980 -0.05577 -0.02122 0.03355 3 2PX 0.03209 -0.05037 -0.17211 -0.09660 -0.01041 4 2PY -0.04144 -0.03789 -0.13472 0.01705 -0.00122 5 2PZ 0.02832 -0.15340 0.17537 -0.04642 -0.01764 6 3S 0.32800 -1.37872 -1.39631 -0.39047 -0.24844 7 3PX 0.32585 -0.05939 -1.07737 -0.07397 0.03064 8 3PY -0.10896 -0.09444 -0.85629 -0.07207 -0.19198 9 3PZ -0.20492 -0.67843 1.01579 -0.12147 -0.13349 10 4XX -0.00187 0.00942 0.01071 -0.00476 -0.00826 11 4YY 0.00691 -0.02183 -0.00208 0.00276 0.00235 12 4ZZ -0.00535 0.01837 -0.00274 0.00332 0.00675 13 4XY -0.01247 -0.01069 0.01256 -0.00577 0.01158 14 4XZ 0.00577 -0.01144 -0.00235 -0.00117 0.00131 15 4YZ 0.02128 0.01432 -0.01333 -0.00278 0.00785 16 2 H 1S 0.04518 -0.09561 -0.01879 0.01230 0.00635 17 2S -0.06870 0.10927 -0.47469 0.11821 -0.13288 18 3 C 1S 0.01308 0.04855 -0.06047 -0.00056 -0.00161 19 2S -0.02195 -0.04469 0.03091 -0.01076 -0.00660 20 2PX 0.07062 0.02304 -0.11884 0.07472 0.00111 21 2PY -0.02567 -0.20038 -0.04137 0.01996 0.02839 22 2PZ -0.14953 0.04189 0.10044 0.08242 0.01058 23 3S -0.31510 -1.43466 1.94507 -0.04924 0.23362 24 3PX 0.41866 0.00556 -0.91611 0.08755 -0.00642 25 3PY -0.26043 -1.40087 -0.71211 -0.22790 0.27290 26 3PZ -0.56985 0.28988 0.78314 0.15363 0.13400 27 4XX -0.00628 -0.00321 -0.01706 0.01122 0.00308 28 4YY 0.00220 0.02488 0.00751 -0.00845 -0.00166 29 4ZZ 0.00428 -0.01673 -0.00238 -0.00641 0.00052 30 4XY -0.00286 0.00339 -0.02463 -0.00295 0.00165 31 4XZ 0.00356 0.01395 0.01197 0.00969 -0.00061 32 4YZ 0.00662 0.00074 0.02282 -0.00112 0.00123 33 4 H 1S -0.00576 -0.05709 0.07837 -0.05158 0.00427 34 2S -0.70321 -0.14670 0.22067 -0.03816 0.14409 35 5 C 1S -0.01307 -0.04866 -0.06039 0.00055 0.00161 36 2S 0.02195 0.04476 0.03084 0.01076 0.00662 37 2PX -0.07060 -0.02323 -0.11884 -0.07474 -0.00112 38 2PY -0.02577 -0.20030 0.04170 0.01997 0.02838 39 2PZ 0.14955 -0.04174 0.10057 -0.08240 -0.01058 40 3S 0.31468 1.43797 1.94280 0.04946 -0.23389 41 3PX -0.41858 -0.00694 -0.91650 -0.08764 0.00645 42 3PY -0.26085 -1.39962 0.71433 -0.22779 0.27282 43 3PZ 0.56988 -0.28880 0.78399 -0.15361 -0.13400 44 4XX 0.00628 0.00318 -0.01707 -0.01123 -0.00308 45 4YY -0.00220 -0.02487 0.00757 0.00845 0.00166 46 4ZZ -0.00428 0.01673 -0.00242 0.00641 -0.00052 47 4XY -0.00286 0.00344 0.02462 -0.00295 0.00165 48 4XZ -0.00356 -0.01393 0.01201 -0.00969 0.00060 49 4YZ 0.00662 0.00070 -0.02282 -0.00113 0.00123 50 6 H 1S 0.00573 0.05721 0.07826 0.05159 -0.00427 51 2S 0.70346 0.14717 0.22052 0.03818 -0.14406 52 7 C 1S 0.00054 -0.05364 0.05036 -0.01650 -0.00348 53 2S 0.02271 0.05969 -0.05587 0.02122 -0.03356 54 2PX -0.03207 0.05014 -0.17223 0.09659 0.01043 55 2PY -0.04140 -0.03767 0.13470 0.01708 -0.00123 56 2PZ -0.02846 0.15369 0.17517 0.04648 0.01757 57 3S -0.32825 1.37621 -1.39907 0.39030 0.24840 58 3PX -0.32566 0.05765 -1.07787 0.07395 -0.03041 59 3PY -0.10884 -0.09303 0.85609 -0.07203 -0.19198 60 3PZ 0.20430 0.68017 1.01500 0.12158 0.13319 61 4XX 0.00187 -0.00940 0.01074 0.00477 0.00826 62 4YY -0.00692 0.02182 -0.00213 -0.00277 -0.00235 63 4ZZ 0.00536 -0.01837 -0.00270 -0.00332 -0.00675 64 4XY -0.01247 -0.01072 -0.01254 -0.00577 0.01159 65 4XZ -0.00577 0.01143 -0.00238 0.00117 -0.00131 66 4YZ 0.02128 0.01436 0.01331 -0.00278 0.00785 67 8 H 1S -0.04518 0.09558 -0.01897 -0.01230 -0.00634 68 2S 0.06854 -0.11012 -0.47447 -0.11829 0.13294 69 9 C 1S 0.05192 0.02144 0.01293 0.00759 0.01028 70 2S -0.05124 -0.02310 -0.01023 -0.01133 0.00660 71 2PX -0.01257 -0.14654 -0.02017 -0.01062 -0.00223 72 2PY 0.31927 -0.14792 -0.06823 -0.06113 0.01808 73 2PZ 0.13277 0.19311 0.02875 0.01520 0.06888 74 3S -0.96605 -0.35521 -0.52208 -0.15287 -0.26963 75 3PX -0.06536 -0.59240 0.17502 -0.08316 -0.00293 76 3PY 1.39688 -0.55900 -0.30847 -0.19962 0.17778 77 3PZ 0.50922 0.87560 0.04658 0.12397 0.31009 78 4XX -0.01463 0.00231 -0.00433 0.00453 -0.00029 79 4YY 0.02715 -0.00854 0.01127 -0.00406 0.00146 80 4ZZ -0.00567 0.00897 -0.00644 -0.00159 0.00404 81 4XY -0.00212 -0.00206 -0.00756 -0.00014 0.00153 82 4XZ 0.00129 -0.01371 0.00664 -0.00524 0.00902 83 4YZ 0.00504 0.00475 -0.02276 -0.00125 0.00204 84 10 H 1S -0.03895 -0.01593 -0.04217 -0.00422 0.01052 85 2S -0.55994 0.12337 0.06764 0.10529 -0.21556 86 11 H 1S -0.06278 0.01243 -0.02845 0.01971 -0.02737 87 2S -0.50324 -0.46591 0.19026 0.05383 -0.11976 88 12 C 1S -0.05196 -0.02142 0.01296 -0.00758 -0.01028 89 2S 0.05126 0.02309 -0.01026 0.01134 -0.00660 90 2PX 0.01260 0.14654 -0.02048 0.01061 0.00227 91 2PY 0.31926 -0.14773 0.06854 -0.06114 0.01811 92 2PZ -0.13273 -0.19309 0.02904 -0.01523 -0.06886 93 3S 0.96678 0.35430 -0.52257 0.15276 0.26991 94 3PX 0.06548 0.59282 0.17371 0.08316 0.00299 95 3PY 1.39679 -0.55820 0.30969 -0.19952 0.17775 96 3PZ -0.50921 -0.87568 0.04804 -0.12399 -0.31021 97 4XX 0.01463 -0.00232 -0.00432 -0.00453 0.00029 98 4YY -0.02715 0.00856 0.01124 0.00406 -0.00145 99 4ZZ 0.00566 -0.00898 -0.00641 0.00159 -0.00405 100 4XY -0.00212 -0.00205 0.00756 -0.00014 0.00153 101 4XZ -0.00128 0.01373 0.00661 0.00524 -0.00901 102 4YZ 0.00502 0.00480 0.02276 -0.00124 0.00204 103 13 H 1S 0.06281 -0.01246 -0.02839 -0.01971 0.02737 104 2S 0.50311 0.46622 0.18937 -0.05381 0.11977 105 14 H 1S 0.03898 0.01584 -0.04220 0.00421 -0.01050 106 2S 0.55994 -0.12315 0.06820 -0.10523 0.21554 107 15 C 1S -0.01034 -0.00837 -0.00394 -0.02114 0.11461 108 2S 0.00670 0.01020 0.00325 -0.02366 -0.13574 109 2PX 0.02296 -0.05681 -0.00684 0.13962 0.16049 110 2PY 0.03051 -0.03526 -0.01033 0.26534 -0.16117 111 2PZ 0.00464 -0.03894 0.03792 -0.13240 -0.23919 112 3S 0.27448 0.03971 0.01671 1.25579 -2.49568 113 3PX 0.06508 -0.07462 0.02477 0.63693 0.99495 114 3PY 0.20604 -0.30442 0.01727 1.83644 -1.87678 115 3PZ 0.00515 -0.03431 0.00863 -0.30023 -0.93254 116 4XX 0.00055 0.00042 -0.00134 0.00728 -0.00548 117 4YY -0.00554 0.00091 0.00033 -0.02739 0.02320 118 4ZZ 0.00196 -0.00292 0.00080 0.00496 -0.01108 119 4XY -0.00119 -0.00182 -0.00300 -0.00486 0.00161 120 4XZ -0.00068 0.00315 -0.00104 -0.01237 -0.01183 121 4YZ 0.00124 0.00233 -0.00108 -0.00145 0.00512 122 16 H 1S 0.00134 -0.01347 -0.00628 -0.00309 0.08271 123 2S 0.01477 -0.32529 0.04163 0.41700 -1.06368 124 17 C 1S 0.01035 0.00836 -0.00397 0.02114 -0.11461 125 2S -0.00672 -0.01020 0.00329 0.02369 0.13573 126 2PX -0.02295 0.05683 -0.00692 -0.13964 -0.16048 127 2PY 0.03052 -0.03523 0.01035 0.26532 -0.16120 128 2PZ -0.00466 0.03901 0.03787 0.13249 0.23913 129 3S -0.27450 -0.03959 0.01713 -1.25583 2.49573 130 3PX -0.06509 0.07467 0.02469 -0.63691 -0.99490 131 3PY 0.20602 -0.30443 -0.01712 1.83635 -1.87702 132 3PZ -0.00513 0.03425 0.00857 0.30070 0.93199 133 4XX -0.00054 -0.00043 -0.00134 -0.00729 0.00548 134 4YY 0.00553 -0.00091 0.00032 0.02740 -0.02320 135 4ZZ -0.00196 0.00293 0.00080 -0.00496 0.01109 136 4XY -0.00119 -0.00182 0.00301 -0.00486 0.00161 137 4XZ 0.00069 -0.00315 -0.00103 0.01237 0.01183 138 4YZ 0.00125 0.00233 0.00107 -0.00144 0.00511 139 18 H 1S -0.00135 0.01346 -0.00631 0.00309 -0.08268 140 2S -0.01482 0.32533 0.04118 -0.41697 1.06347 141 19 O 1S -0.00045 0.00438 0.00404 -0.02075 -0.04098 142 2S 0.00174 -0.01818 -0.03071 0.04998 0.04118 143 2PX -0.01574 -0.05948 -0.04991 0.19850 0.17779 144 2PY -0.00171 0.03156 0.03122 -0.07005 0.02893 145 2PZ -0.02702 0.01835 -0.01088 -0.15625 -0.16183 146 3S -0.00912 -0.03238 0.03606 0.21447 0.83665 147 3PX 0.00390 -0.09250 -0.04027 0.45590 0.35430 148 3PY -0.01558 0.03741 0.02066 -0.19911 0.30054 149 3PZ -0.03565 0.07162 -0.00161 -0.37551 -0.24690 150 4XX -0.00131 -0.00701 -0.00122 -0.00095 -0.02168 151 4YY -0.00274 -0.00216 -0.00749 -0.01037 0.00102 152 4ZZ 0.00419 0.00253 -0.00744 0.00231 -0.01848 153 4XY 0.00649 -0.00080 -0.00196 0.01683 -0.02170 154 4XZ 0.00520 0.00414 0.00157 0.00168 -0.00783 155 4YZ -0.00356 -0.00419 -0.00271 -0.01511 0.01397 156 20 O 1S 0.00045 -0.00437 0.00405 0.02076 0.04098 157 2S -0.00174 0.01812 -0.03075 -0.04998 -0.04117 158 2PX 0.01575 0.05939 -0.05003 -0.19851 -0.17780 159 2PY -0.00171 0.03150 -0.03127 -0.07007 0.02888 160 2PZ 0.02702 -0.01836 -0.01087 0.15623 0.16182 161 3S 0.00911 0.03242 0.03601 -0.21443 -0.83661 162 3PX -0.00388 0.09242 -0.04041 -0.45591 -0.35430 163 3PY -0.01558 0.03739 -0.02069 -0.19921 0.30045 164 3PZ 0.03566 -0.07160 -0.00152 0.37544 0.24695 165 4XX 0.00131 0.00701 -0.00123 0.00095 0.02168 166 4YY 0.00274 0.00215 -0.00750 0.01038 -0.00103 167 4ZZ -0.00419 -0.00254 -0.00743 -0.00232 0.01848 168 4XY 0.00649 -0.00079 0.00196 0.01683 -0.02170 169 4XZ -0.00519 -0.00414 0.00158 -0.00168 0.00783 170 4YZ -0.00356 -0.00419 0.00272 -0.01511 0.01396 171 21 C 1S 0.00000 0.00001 0.00575 0.00000 0.00000 172 2S -0.00002 -0.00003 -0.02305 0.00001 -0.00001 173 2PX -0.00002 0.00001 0.00646 0.00001 -0.00001 174 2PY 0.07898 0.08196 -0.00009 -0.05037 -0.28899 175 2PZ -0.00003 0.00003 0.03217 -0.00001 -0.00004 176 3S -0.00005 -0.00007 -0.03340 -0.00001 0.00001 177 3PX -0.00002 -0.00005 -0.02446 0.00003 0.00000 178 3PY -0.07251 0.13977 -0.00009 -0.85686 0.12353 179 3PZ -0.00010 0.00005 0.07107 -0.00009 0.00000 180 4XX 0.00000 -0.00001 -0.00472 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00402 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00016 0.00000 0.00000 183 4XY -0.00538 -0.00738 0.00001 0.00822 0.01072 184 4XZ 0.00000 0.00000 -0.00283 0.00000 0.00000 185 4YZ -0.00101 0.00307 0.00000 -0.00780 -0.01097 186 22 H 1S 0.00000 -0.00002 -0.01824 0.00000 0.00001 187 2S -0.00005 0.00004 0.05381 0.00002 -0.00002 188 23 H 1S 0.00001 0.00001 0.00120 0.00000 0.00000 189 2S 0.00016 -0.00002 -0.09290 -0.00001 0.00002 66 67 68 69 70 V V V V V Eigenvalues -- 0.43748 0.47155 0.47592 0.49324 0.51332 1 1 C 1S -0.07988 0.00383 0.04353 0.00159 0.00070 2 2S 0.06337 -0.10490 -0.00869 -0.01987 -0.12931 3 2PX -0.11272 0.14595 -0.05124 -0.17675 -0.21016 4 2PY 0.13498 -0.05631 -0.06991 0.01177 0.03733 5 2PZ 0.14862 -0.09292 0.20048 0.14969 0.06243 6 3S 2.35834 0.18344 -2.11197 -0.12563 -0.07619 7 3PX 0.26763 -0.24336 -1.71320 0.38321 0.22403 8 3PY 1.85129 0.05652 -0.95890 0.01235 -0.16829 9 3PZ 0.61899 0.25965 1.80996 -0.20653 -0.14830 10 4XX -0.00059 0.00433 0.02224 -0.01361 -0.00688 11 4YY 0.00036 0.00265 -0.00912 0.01368 -0.00275 12 4ZZ 0.00785 -0.02337 -0.01616 0.00267 -0.00183 13 4XY -0.01660 -0.00220 0.00775 -0.02479 -0.02110 14 4XZ -0.01043 0.00755 -0.01309 0.00919 0.03214 15 4YZ 0.00638 -0.02105 -0.01216 0.02140 0.00024 16 2 H 1S -0.08412 0.04986 -0.01981 0.03638 -0.02844 17 2S 0.73863 -0.01037 -0.28032 0.05359 -0.05108 18 3 C 1S 0.09115 -0.00060 -0.03872 0.00491 -0.00097 19 2S -0.02687 -0.05283 0.01788 -0.01122 -0.36630 20 2PX 0.05348 0.03019 -0.17525 0.11541 0.05862 21 2PY -0.15127 -0.12498 -0.20763 0.20795 0.01906 22 2PZ -0.10008 0.14905 0.11025 -0.07613 -0.11362 23 3S -3.50815 0.15681 1.55975 -0.01327 0.42640 24 3PX 1.01006 0.02579 -1.88656 -0.11576 -0.03165 25 3PY -2.27509 0.09911 -1.63524 -0.33010 -0.07904 26 3PZ -1.20403 -0.16714 1.48570 0.08490 0.11243 27 4XX -0.00299 0.00901 -0.01487 -0.00426 -0.00547 28 4YY 0.00762 -0.01812 0.01813 0.02596 -0.04396 29 4ZZ -0.00683 0.00503 0.00321 -0.01116 -0.02031 30 4XY -0.00924 0.00128 0.00359 -0.01867 -0.01028 31 4XZ 0.00449 -0.00176 0.00417 0.00965 0.04079 32 4YZ 0.00776 -0.00412 -0.00540 0.01768 0.00192 33 4 H 1S 0.04399 -0.01532 -0.05218 0.02509 -0.10546 34 2S -1.03091 -0.06434 0.49049 -0.05970 -0.07139 35 5 C 1S -0.09115 -0.00068 0.03871 0.00494 -0.00097 36 2S 0.02681 -0.05280 -0.01796 -0.01123 -0.36628 37 2PX -0.05348 0.02985 0.17533 0.11550 0.05861 38 2PY -0.15128 0.12527 -0.20738 -0.20794 -0.01901 39 2PZ 0.10000 0.14925 -0.11004 -0.07623 -0.11362 40 3S 3.50823 0.15979 -1.55908 -0.01401 0.42648 41 3PX -1.00969 0.02263 1.88677 -0.11520 -0.03173 42 3PY -2.27556 -0.09671 -1.63454 0.32975 0.07913 43 3PZ 1.20354 -0.16454 -1.48616 0.08443 0.11254 44 4XX 0.00299 0.00899 0.01488 -0.00426 -0.00547 45 4YY -0.00764 -0.01809 -0.01816 0.02597 -0.04396 46 4ZZ 0.00684 0.00504 -0.00321 -0.01116 -0.02031 47 4XY -0.00924 -0.00128 0.00359 0.01866 0.01028 48 4XZ -0.00449 -0.00176 -0.00417 0.00965 0.04080 49 4YZ 0.00775 0.00413 -0.00540 -0.01767 -0.00192 50 6 H 1S -0.04399 -0.01541 0.05218 0.02513 -0.10546 51 2S 1.03090 -0.06337 -0.49056 -0.05992 -0.07139 52 7 C 1S 0.07988 0.00392 -0.04352 0.00157 0.00070 53 2S -0.06333 -0.10497 0.00850 -0.01986 -0.12925 54 2PX 0.11262 0.14590 0.05146 -0.17669 -0.21016 55 2PY 0.13499 0.05650 -0.06972 -0.01185 -0.03742 56 2PZ -0.14856 -0.09267 -0.20068 0.14961 0.06245 57 3S -2.35843 0.17981 2.11209 -0.12474 -0.07636 58 3PX -0.26802 -0.24627 1.71268 0.38372 0.22384 59 3PY 1.85140 -0.05482 -0.95821 -0.01274 0.16850 60 3PZ -0.61852 0.26251 -1.80952 -0.20689 -0.14816 61 4XX 0.00059 0.00437 -0.02224 -0.01362 -0.00688 62 4YY -0.00037 0.00263 0.00912 0.01371 -0.00273 63 4ZZ -0.00783 -0.02339 0.01613 0.00266 -0.00182 64 4XY -0.01662 0.00219 0.00774 0.02479 0.02109 65 4XZ 0.01042 0.00753 0.01312 0.00921 0.03214 66 4YZ 0.00638 0.02108 -0.01212 -0.02140 -0.00023 67 8 H 1S 0.08411 0.04984 0.01985 0.03641 -0.02842 68 2S -0.73856 -0.01094 0.28025 0.05374 -0.05109 69 9 C 1S -0.05739 -0.00515 0.00875 -0.00274 -0.00149 70 2S -0.02419 -0.03490 0.00978 -0.08023 -0.02667 71 2PX -0.01448 0.08881 -0.00155 0.15036 -0.16920 72 2PY 0.03647 -0.06279 0.18818 0.29906 0.06802 73 2PZ -0.08629 0.15096 -0.14434 0.02447 0.04037 74 3S 1.88104 -0.04871 -0.10660 0.18175 0.13670 75 3PX 0.53760 -0.12212 -0.11933 -0.24213 0.18462 76 3PY -0.37847 0.06438 1.25068 -0.33946 -0.06142 77 3PZ -1.67354 -0.13286 -0.40439 -0.01123 -0.07561 78 4XX 0.02038 -0.00321 0.00265 0.01104 0.01152 79 4YY 0.00280 0.00780 0.00727 -0.06283 -0.01369 80 4ZZ -0.02821 -0.02412 -0.00780 0.02955 0.00392 81 4XY -0.00157 0.00986 0.00290 0.02351 -0.01992 82 4XZ 0.01019 0.02204 -0.01989 0.00988 -0.03732 83 4YZ -0.00151 0.01702 0.00745 -0.00668 -0.00689 84 10 H 1S 0.05758 0.08966 -0.06870 0.10387 -0.13844 85 2S 0.27188 -0.02151 0.03865 -0.07292 0.04343 86 11 H 1S 0.05900 -0.05455 0.06408 -0.02509 0.12818 87 2S 0.18403 -0.05756 -0.16545 -0.12592 -0.01356 88 12 C 1S 0.05739 -0.00512 -0.00876 -0.00274 -0.00149 89 2S 0.02418 -0.03491 -0.00979 -0.08025 -0.02669 90 2PX 0.01442 0.08879 0.00167 0.15034 -0.16921 91 2PY 0.03640 0.06243 0.18841 -0.29907 -0.06803 92 2PZ 0.08629 0.15079 0.14456 0.02440 0.04035 93 3S -1.88109 -0.04907 0.10624 0.18204 0.13667 94 3PX -0.53781 -0.12245 0.11903 -0.24198 0.18459 95 3PY -0.37887 -0.06643 1.25038 0.33982 0.06130 96 3PZ 1.67347 -0.13334 0.40461 -0.01122 -0.07565 97 4XX -0.02036 -0.00322 -0.00267 0.01104 0.01152 98 4YY -0.00281 0.00782 -0.00722 -0.06283 -0.01370 99 4ZZ 0.02821 -0.02412 0.00776 0.02956 0.00391 100 4XY -0.00157 -0.00987 0.00287 -0.02351 0.01993 101 4XZ -0.01022 0.02200 0.01991 0.00987 -0.03731 102 4YZ -0.00151 -0.01702 0.00741 0.00665 0.00689 103 13 H 1S -0.05903 -0.05447 -0.06420 -0.02510 0.12816 104 2S -0.18404 -0.05790 0.16546 -0.12586 -0.01353 105 14 H 1S -0.05756 0.08953 0.06879 0.10388 -0.13841 106 2S -0.27192 -0.02147 -0.03860 -0.07290 0.04344 107 15 C 1S 0.01341 -0.00236 0.00501 0.00711 -0.02684 108 2S -0.02066 -0.20675 -0.03717 -0.01202 -0.05745 109 2PX 0.02325 0.05717 0.09682 -0.11223 -0.22531 110 2PY -0.00420 -0.28131 0.03475 -0.06055 -0.23443 111 2PZ -0.03299 0.22678 -0.06460 -0.11101 0.24169 112 3S -0.30428 0.02907 0.03824 0.03842 0.06849 113 3PX 0.02398 -0.06711 0.07724 0.16589 0.23452 114 3PY -0.12460 0.36713 0.07610 0.01593 0.27410 115 3PZ -0.12705 -0.35610 -0.11289 0.07497 -0.23503 116 4XX -0.00349 0.00577 -0.00505 0.01137 0.00871 117 4YY 0.00138 -0.06836 -0.00437 -0.01683 -0.03000 118 4ZZ -0.00191 0.02543 0.00970 0.01760 -0.02327 119 4XY 0.00340 0.00755 -0.00202 -0.00699 -0.02876 120 4XZ 0.00138 0.02624 -0.00285 -0.00304 0.02992 121 4YZ -0.00108 -0.00294 -0.00149 0.01459 -0.00577 122 16 H 1S 0.00623 -0.13185 0.00923 0.07139 -0.17250 123 2S -0.00126 0.02700 -0.03692 -0.12329 0.02237 124 17 C 1S -0.01342 -0.00234 -0.00501 0.00710 -0.02684 125 2S 0.02074 -0.20677 0.03680 -0.01202 -0.05742 126 2PX -0.02332 0.05733 -0.09669 -0.11219 -0.22533 127 2PY -0.00428 0.28128 0.03515 0.06052 0.23437 128 2PZ 0.03296 0.22670 0.06503 -0.11102 0.24175 129 3S 0.30430 0.02902 -0.03817 0.03850 0.06857 130 3PX -0.02386 -0.06698 -0.07744 0.16575 0.23452 131 3PY -0.12451 -0.36718 0.07552 -0.01594 -0.27425 132 3PZ 0.12710 -0.35642 0.11229 0.07509 -0.23514 133 4XX 0.00349 0.00576 0.00507 0.01138 0.00872 134 4YY -0.00136 -0.06835 0.00426 -0.01683 -0.03000 135 4ZZ 0.00190 0.02545 -0.00968 0.01760 -0.02327 136 4XY 0.00341 -0.00756 -0.00203 0.00699 0.02876 137 4XZ -0.00139 0.02622 0.00290 -0.00303 0.02993 138 4YZ -0.00108 0.00291 -0.00147 -0.01460 0.00576 139 18 H 1S -0.00622 -0.13179 -0.00951 0.07138 -0.17250 140 2S 0.00122 0.02681 0.03702 -0.12322 0.02243 141 19 O 1S -0.00762 0.01175 -0.00333 0.00122 0.00999 142 2S 0.03159 0.01774 -0.03795 0.12023 -0.12706 143 2PX 0.06629 -0.06808 -0.02292 -0.03454 -0.00836 144 2PY -0.03357 0.09714 0.04937 0.01872 -0.14497 145 2PZ 0.00616 0.05549 -0.06515 0.00279 0.10387 146 3S 0.11713 -0.38753 0.13536 -0.46273 0.35593 147 3PX 0.04179 0.08677 0.06172 -0.03910 0.04523 148 3PY 0.03422 -0.30257 -0.00151 -0.16865 0.05718 149 3PZ -0.01242 0.03392 -0.03929 -0.06209 0.00974 150 4XX 0.00245 0.04548 -0.01079 0.03856 -0.01347 151 4YY 0.01097 -0.05462 -0.01435 -0.00266 -0.01467 152 4ZZ 0.00323 0.03130 -0.02069 0.05609 -0.02417 153 4XY -0.00808 0.01863 -0.00986 0.02478 0.00498 154 4XZ -0.01060 0.02242 0.01683 0.01008 -0.04413 155 4YZ 0.01002 -0.01944 -0.00173 -0.00939 -0.00587 156 20 O 1S 0.00762 0.01175 0.00335 0.00122 0.00999 157 2S -0.03158 0.01767 0.03798 0.12025 -0.12704 158 2PX -0.06631 -0.06813 0.02285 -0.03451 -0.00835 159 2PY -0.03357 -0.09726 0.04919 -0.01871 0.14494 160 2PZ -0.00617 0.05535 0.06529 0.00278 0.10392 161 3S -0.11710 -0.38729 -0.13598 -0.46281 0.35588 162 3PX -0.04183 0.08688 -0.06155 -0.03913 0.04527 163 3PY 0.03417 0.30256 -0.00103 0.16867 -0.05716 164 3PZ 0.01239 0.03391 0.03938 -0.06202 0.00969 165 4XX -0.00245 0.04546 0.01086 0.03856 -0.01346 166 4YY -0.01097 -0.05466 0.01427 -0.00266 -0.01467 167 4ZZ -0.00323 0.03127 0.02074 0.05610 -0.02416 168 4XY -0.00808 -0.01861 -0.00988 -0.02478 -0.00497 169 4XZ 0.01059 0.02244 -0.01680 0.01007 -0.04413 170 4YZ 0.01001 0.01942 -0.00170 0.00937 0.00587 171 21 C 1S 0.00000 0.00836 0.00001 0.00515 -0.01672 172 2S 0.00002 -0.31447 -0.00023 -0.20103 0.12249 173 2PX 0.00000 -0.32372 -0.00021 -0.41463 0.26168 174 2PY -0.15727 -0.00007 -0.00343 0.00001 -0.00002 175 2PZ -0.00002 0.30902 0.00028 0.15770 -0.05576 176 3S -0.00002 0.77713 0.00059 0.51992 -0.17746 177 3PX 0.00004 0.62990 0.00040 0.90772 -0.39565 178 3PY 0.15347 0.00013 -0.01347 0.00001 0.00008 179 3PZ 0.00008 -0.70288 -0.00064 -0.30929 -0.06808 180 4XX 0.00000 -0.02616 -0.00002 0.02068 -0.02146 181 4YY 0.00000 0.03225 0.00003 0.01262 -0.00302 182 4ZZ -0.00001 0.00637 0.00001 -0.02168 0.00323 183 4XY 0.00661 0.00000 -0.00275 0.00000 0.00000 184 4XZ 0.00000 0.00937 0.00001 0.02936 0.00214 185 4YZ -0.00886 -0.00001 0.01141 0.00001 0.00000 186 22 H 1S 0.00002 0.00222 -0.00001 0.18015 -0.09668 187 2S 0.00003 -0.02055 -0.00005 0.10347 -0.07295 188 23 H 1S -0.00002 0.10241 0.00010 0.00972 -0.00128 189 2S -0.00004 0.04542 0.00006 -0.05683 0.15616 71 72 73 74 75 V V V V V Eigenvalues -- 0.52268 0.54236 0.54442 0.55283 0.56182 1 1 C 1S 0.01107 0.00802 0.00090 0.00431 0.01563 2 2S 0.05302 -0.05977 -0.04822 0.03023 -0.04683 3 2PX -0.13076 0.08864 0.09581 -0.02927 -0.36708 4 2PY 0.08087 -0.08439 -0.13766 0.04773 0.07462 5 2PZ -0.14776 -0.06410 0.00638 0.04376 0.02985 6 3S -0.44065 -0.05566 0.22851 0.14078 -1.05694 7 3PX 0.17319 -0.16707 -0.05645 0.11780 0.25303 8 3PY -0.41236 -0.01921 0.31838 0.15445 -0.73685 9 3PZ 0.45945 -0.06947 -0.00125 -0.00342 0.31057 10 4XX 0.01520 -0.00039 -0.01096 0.01732 -0.00238 11 4YY 0.01846 -0.00191 0.03462 -0.04326 -0.00838 12 4ZZ -0.01917 -0.00184 -0.02417 0.04410 -0.00488 13 4XY 0.00771 -0.00445 -0.01514 -0.00953 -0.00493 14 4XZ 0.00526 0.00132 -0.00481 -0.02840 0.03307 15 4YZ -0.03814 0.01016 0.01444 0.00438 -0.02584 16 2 H 1S 0.03042 0.03208 0.14832 -0.18518 -0.10023 17 2S -0.13311 -0.05507 0.02583 0.24933 -0.22666 18 3 C 1S -0.00372 -0.00701 0.00580 -0.00735 -0.03955 19 2S -0.15084 -0.01244 0.15581 0.06755 -0.06049 20 2PX -0.09101 0.03611 0.18104 0.08515 -0.07425 21 2PY -0.19875 -0.02576 0.07176 0.06734 0.25189 22 2PZ 0.03707 0.02595 0.11008 0.29674 -0.10605 23 3S 0.38324 0.33242 -0.22372 -0.09378 0.78794 24 3PX -0.01008 -0.15225 -0.12482 0.06681 -0.42589 25 3PY 0.23789 0.24317 -0.15478 -0.14061 -0.31817 26 3PZ -0.04009 0.10703 -0.12443 -0.29757 0.51352 27 4XX 0.02423 -0.00654 -0.00114 0.00942 0.02252 28 4YY -0.04821 0.00995 0.03579 0.02181 -0.06173 29 4ZZ 0.00357 -0.00299 0.00882 -0.03360 -0.00145 30 4XY -0.01060 0.00400 -0.01020 0.03078 -0.00320 31 4XZ 0.00444 -0.00198 -0.02134 0.04191 0.03482 32 4YZ -0.00396 -0.00488 0.02108 -0.01772 0.00896 33 4 H 1S -0.03626 0.00591 0.12869 -0.23643 -0.16690 34 2S -0.04937 0.12695 -0.07768 0.06127 0.13163 35 5 C 1S -0.00370 0.00701 0.00579 -0.00739 0.03955 36 2S -0.15084 0.01244 0.15580 0.06747 0.06054 37 2PX -0.09103 -0.03609 0.18103 0.08505 0.07437 38 2PY 0.19869 -0.02580 -0.07176 -0.06765 0.25173 39 2PZ 0.03707 -0.02593 0.11002 0.29659 0.10640 40 3S 0.38252 -0.33241 -0.22353 -0.09290 -0.78797 41 3PX -0.00949 0.15222 -0.12477 0.06628 0.42592 42 3PY -0.23802 0.24327 0.15442 0.14116 -0.31777 43 3PZ -0.04063 -0.10700 -0.12436 -0.29694 -0.51387 44 4XX 0.02423 0.00654 -0.00114 0.00946 -0.02251 45 4YY -0.04822 -0.00994 0.03580 0.02173 0.06176 46 4ZZ 0.00358 0.00299 0.00880 -0.03359 0.00141 47 4XY 0.01061 0.00400 0.01020 -0.03079 -0.00325 48 4XZ 0.00444 0.00198 -0.02133 0.04194 -0.03479 49 4YZ 0.00395 -0.00488 -0.02108 0.01773 0.00900 50 6 H 1S -0.03624 -0.00596 0.12871 -0.23660 0.16664 51 2S -0.04959 -0.12693 -0.07762 0.06139 -0.13153 52 7 C 1S 0.01105 -0.00803 0.00091 0.00433 -0.01564 53 2S 0.05309 0.05981 -0.04829 0.03015 0.04683 54 2PX -0.13074 -0.08862 0.09581 -0.02969 0.36705 55 2PY -0.08089 -0.08447 0.13769 -0.04782 0.07455 56 2PZ -0.14782 0.06414 0.00629 0.04369 -0.02981 57 3S -0.44015 0.05557 0.22858 0.13958 1.05710 58 3PX 0.17366 0.16712 -0.05628 0.11807 -0.25279 59 3PY 0.41194 -0.01913 -0.31828 -0.15364 -0.73681 60 3PZ 0.45929 0.06945 -0.00147 -0.00291 -0.31085 61 4XX 0.01520 0.00040 -0.01097 0.01732 0.00241 62 4YY 0.01845 0.00189 0.03462 -0.04328 0.00831 63 4ZZ -0.01916 0.00185 -0.02418 0.04409 0.00491 64 4XY -0.00771 -0.00445 0.01515 0.00956 -0.00490 65 4XZ 0.00525 -0.00132 -0.00480 -0.02835 -0.03307 66 4YZ 0.03816 0.01015 -0.01442 -0.00438 -0.02583 67 8 H 1S 0.03042 -0.03214 0.14832 -0.18531 0.09989 68 2S -0.13301 0.05508 0.02578 0.24910 0.22690 69 9 C 1S 0.00217 0.00611 0.00137 -0.00055 -0.00223 70 2S -0.12859 -0.02532 -0.02702 0.13393 0.09965 71 2PX 0.02243 -0.08702 0.16640 0.22807 0.03866 72 2PY -0.05022 0.06482 0.09364 -0.15896 0.05114 73 2PZ 0.29387 0.09653 -0.01515 -0.27917 -0.17815 74 3S 0.15325 0.11771 -0.15337 -0.09457 -0.51730 75 3PX -0.05103 -0.12228 -0.18501 -0.29396 -0.26792 76 3PY -0.01631 -0.08923 -0.11668 0.22572 0.29059 77 3PZ -0.35085 0.06252 0.03707 0.34263 0.41391 78 4XX 0.00311 -0.01227 -0.00161 -0.04280 -0.00377 79 4YY -0.01094 0.00870 -0.02279 0.05144 0.00317 80 4ZZ -0.01403 0.01240 0.00782 0.01876 -0.00225 81 4XY 0.01379 0.00186 0.00785 0.02439 0.00098 82 4XZ 0.03096 -0.00296 0.02114 0.01451 0.00811 83 4YZ -0.00139 -0.00271 0.03166 -0.01266 0.00484 84 10 H 1S 0.08772 0.00005 0.14801 -0.00300 0.06009 85 2S -0.06853 0.01378 -0.03733 -0.01878 0.04749 86 11 H 1S -0.03427 -0.03276 -0.00653 -0.21360 -0.07869 87 2S -0.03311 -0.20115 0.04952 0.06939 -0.20097 88 12 C 1S 0.00216 -0.00611 0.00138 -0.00054 0.00224 89 2S -0.12856 0.02530 -0.02705 0.13404 -0.09955 90 2PX 0.02234 0.08707 0.16647 0.22820 -0.03848 91 2PY 0.05016 0.06484 -0.09366 0.15892 0.05136 92 2PZ 0.29379 -0.09650 -0.01513 -0.27933 0.17798 93 3S 0.15333 -0.11771 -0.15346 -0.09506 0.51736 94 3PX -0.05083 0.12226 -0.18511 -0.29434 0.26772 95 3PY 0.01667 -0.08916 0.11678 -0.22613 0.29032 96 3PZ -0.35078 -0.06253 0.03727 0.34300 -0.41359 97 4XX 0.00311 0.01227 -0.00163 -0.04280 0.00372 98 4YY -0.01094 -0.00870 -0.02277 0.05144 -0.00311 99 4ZZ -0.01402 -0.01239 0.00782 0.01876 0.00227 100 4XY -0.01380 0.00186 -0.00786 -0.02440 0.00095 101 4XZ 0.03096 0.00297 0.02113 0.01447 -0.00809 102 4YZ 0.00139 -0.00269 -0.03167 0.01267 0.00487 103 13 H 1S -0.03427 0.03275 -0.00656 -0.21364 0.07845 104 2S -0.03309 0.20117 0.04956 0.06917 0.20110 105 14 H 1S 0.08774 -0.00007 0.14799 -0.00301 -0.06012 106 2S -0.06848 -0.01375 -0.03737 -0.01869 -0.04750 107 15 C 1S -0.00226 -0.04530 -0.01508 -0.01012 -0.01365 108 2S 0.00030 0.08365 -0.11183 0.16012 -0.00897 109 2PX -0.34211 0.10807 0.09989 -0.23085 -0.42504 110 2PY -0.00756 0.20186 -0.22813 -0.06840 -0.08599 111 2PZ -0.17972 0.03267 0.00596 0.05526 0.02693 112 3S -0.03624 0.71974 -0.16611 -0.19812 0.36013 113 3PX 0.50884 -0.58318 -0.33309 0.34433 0.92246 114 3PY 0.06430 0.45030 0.52574 0.05432 0.13214 115 3PZ 0.20749 0.16113 0.07932 -0.13587 0.12799 116 4XX -0.02194 0.01115 -0.00977 0.00245 -0.01404 117 4YY -0.00034 -0.02732 -0.03337 0.01390 0.00959 118 4ZZ 0.01072 0.01093 0.01441 -0.01075 -0.02348 119 4XY -0.02456 0.01219 0.03408 -0.03320 0.00600 120 4XZ 0.00259 0.01401 0.02241 -0.00147 0.02436 121 4YZ 0.02621 -0.01557 0.00059 -0.00193 0.00142 122 16 H 1S 0.12260 -0.12205 -0.05983 -0.05648 -0.00692 123 2S 0.02872 0.32028 0.32796 -0.08021 -0.00059 124 17 C 1S -0.00225 0.04530 -0.01508 -0.01014 0.01364 125 2S 0.00021 -0.08367 -0.11183 0.16001 0.00907 126 2PX -0.34209 -0.10809 0.09989 -0.23124 0.42486 127 2PY 0.00759 0.20182 0.22816 0.06837 -0.08595 128 2PZ -0.17972 -0.03268 0.00596 0.05524 -0.02695 129 3S -0.03619 -0.71964 -0.16609 -0.19736 -0.36026 130 3PX 0.50894 0.58324 -0.33306 0.34511 -0.92225 131 3PY -0.06414 0.45045 -0.52579 -0.05449 0.13216 132 3PZ 0.20760 -0.16094 0.07935 -0.13557 -0.12808 133 4XX -0.02194 -0.01114 -0.00977 0.00244 0.01405 134 4YY -0.00033 0.02733 -0.03336 0.01389 -0.00958 135 4ZZ 0.01071 -0.01094 0.01440 -0.01077 0.02346 136 4XY 0.02456 0.01219 -0.03409 0.03319 0.00603 137 4XZ 0.00261 -0.01401 0.02239 -0.00144 -0.02436 138 4YZ -0.02621 -0.01555 -0.00061 0.00194 0.00142 139 18 H 1S 0.12264 0.12202 -0.05978 -0.05652 0.00681 140 2S 0.02868 -0.32026 0.32791 -0.08008 0.00046 141 19 O 1S -0.00395 0.00597 0.00237 0.00157 0.00235 142 2S -0.07639 -0.11398 -0.14414 -0.08082 -0.04486 143 2PX -0.10729 0.01028 0.01018 -0.07982 -0.07909 144 2PY -0.08916 -0.20203 -0.12436 -0.05903 -0.12304 145 2PZ -0.09550 -0.03833 -0.09498 -0.00183 0.03257 146 3S 0.34583 0.38363 0.52333 0.30885 0.39291 147 3PX -0.01690 -0.23568 -0.02549 0.05670 -0.07560 148 3PY 0.11037 0.05867 0.14246 0.06678 0.07921 149 3PZ -0.13751 0.25040 0.00874 -0.05764 -0.03442 150 4XX -0.02387 -0.02189 -0.04102 -0.00814 0.00407 151 4YY -0.00681 -0.00457 -0.00177 -0.02089 -0.00608 152 4ZZ -0.02254 -0.02589 -0.04451 -0.01561 0.00866 153 4XY 0.01361 -0.05683 -0.01548 0.00880 -0.00470 154 4XZ -0.01836 -0.01736 -0.01105 -0.03146 -0.04763 155 4YZ -0.00295 0.04997 0.02380 -0.00734 -0.00644 156 20 O 1S -0.00395 -0.00597 0.00237 0.00157 -0.00235 157 2S -0.07638 0.11398 -0.14410 -0.08088 0.04475 158 2PX -0.10727 -0.01030 0.01019 -0.07989 0.07903 159 2PY 0.08917 -0.20208 0.12437 0.05915 -0.12302 160 2PZ -0.09550 0.03826 -0.09495 -0.00182 -0.03263 161 3S 0.34581 -0.38367 0.52320 0.30920 -0.39259 162 3PX -0.01691 0.23567 -0.02549 0.05658 0.07562 163 3PY -0.11036 0.05874 -0.14244 -0.06683 0.07913 164 3PZ -0.13753 -0.25038 0.00868 -0.05763 0.03442 165 4XX -0.02387 0.02189 -0.04101 -0.00815 -0.00409 166 4YY -0.00681 0.00455 -0.00175 -0.02090 0.00606 167 4ZZ -0.02253 0.02591 -0.04451 -0.01561 -0.00868 168 4XY -0.01360 -0.05684 0.01548 -0.00878 -0.00471 169 4XZ -0.01836 0.01735 -0.01105 -0.03150 0.04760 170 4YZ 0.00295 0.04997 -0.02379 0.00733 -0.00643 171 21 C 1S -0.00429 0.00000 -0.02088 -0.01000 0.00000 172 2S -0.00628 -0.00002 0.19051 0.05753 0.00001 173 2PX -0.07756 -0.00002 0.27729 0.04111 0.00004 174 2PY 0.00005 -0.85987 0.00002 0.00016 -0.21156 175 2PZ -0.30447 -0.00009 -0.41906 -0.01495 -0.00005 176 3S -0.03768 0.00002 -0.25259 -0.02300 0.00000 177 3PX 0.24320 0.00002 -0.77581 0.08557 -0.00004 178 3PY -0.00010 1.53155 -0.00008 -0.00031 0.44572 179 3PZ 0.60665 0.00018 1.23895 0.03910 0.00015 180 4XX 0.02952 0.00000 0.02568 0.00335 0.00000 181 4YY -0.02037 0.00001 -0.03445 0.00818 0.00001 182 4ZZ -0.03646 -0.00001 -0.03380 -0.01796 -0.00001 183 4XY 0.00000 0.04093 0.00001 -0.00001 0.02136 184 4XZ 0.01453 0.00001 -0.02981 0.02053 0.00001 185 4YZ 0.00000 -0.03905 0.00000 0.00001 -0.01821 186 22 H 1S 0.12791 0.00001 -0.11610 0.05471 0.00001 187 2S 0.13110 0.00001 -0.08768 0.05258 0.00001 188 23 H 1S -0.11597 0.00000 -0.32321 -0.04186 -0.00004 189 2S -0.17725 -0.00001 -0.43427 -0.05882 -0.00006 76 77 78 79 80 V V V V V Eigenvalues -- 0.57468 0.60550 0.61900 0.63677 0.64622 1 1 C 1S -0.04634 0.02621 0.01410 0.01256 0.00102 2 2S 0.03248 0.00652 -0.11809 0.11270 -0.02830 3 2PX -0.12997 0.04992 0.03076 0.15885 0.00079 4 2PY 0.12520 -0.10276 0.01967 0.20484 0.01468 5 2PZ -0.07617 0.18487 0.06712 0.17143 -0.47614 6 3S -0.15219 0.31912 0.20917 -0.69170 0.47076 7 3PX 0.44484 -0.45049 -0.23799 -0.33668 0.07722 8 3PY 0.00242 0.30617 -0.18143 -1.03664 0.25303 9 3PZ 0.00240 0.14138 0.02335 -0.00419 0.67630 10 4XX 0.02053 -0.02114 0.01122 0.04992 -0.01347 11 4YY -0.03098 0.03325 -0.04554 -0.02830 0.01771 12 4ZZ -0.03576 0.02669 0.03475 -0.00281 -0.00486 13 4XY -0.04085 0.02577 -0.01116 0.02043 -0.02180 14 4XZ 0.05642 -0.04831 -0.02309 0.01903 -0.01277 15 4YZ -0.01873 0.03572 -0.00858 0.02277 -0.00156 16 2 H 1S -0.26021 0.16285 -0.12932 -0.07977 0.00918 17 2S 0.09720 0.03101 0.00549 -0.40115 0.06649 18 3 C 1S 0.02104 -0.01791 -0.01743 -0.01107 0.03919 19 2S -0.03459 0.14895 -0.14809 -0.11197 -0.04553 20 2PX 0.18536 0.04472 -0.42887 0.27096 -0.13849 21 2PY 0.29138 -0.07007 -0.02751 -0.09858 -0.18147 22 2PZ -0.12645 0.25523 -0.19827 0.24755 -0.08332 23 3S -0.07909 -0.22995 0.43135 0.60600 -0.16889 24 3PX -0.17108 -0.11885 0.41982 -0.56327 0.44445 25 3PY -0.32776 -0.28720 -0.08136 0.17865 0.07314 26 3PZ 0.00034 -0.07532 0.19053 -0.01101 -0.16157 27 4XX -0.00111 -0.00499 -0.00283 -0.03400 0.02027 28 4YY 0.03078 0.00895 -0.01517 -0.02849 0.04159 29 4ZZ -0.00806 0.00468 -0.03590 0.04568 -0.02868 30 4XY 0.01556 -0.00205 -0.00167 0.04490 0.01275 31 4XZ -0.01316 0.01792 0.04549 0.00028 -0.02524 32 4YZ -0.02102 0.00076 -0.04354 -0.01252 -0.00428 33 4 H 1S -0.00327 -0.05354 -0.27753 -0.11949 0.11449 34 2S 0.00405 0.07032 0.03213 0.19736 -0.16053 35 5 C 1S 0.02101 0.01793 -0.01740 -0.01109 -0.03918 36 2S -0.03456 -0.14886 -0.14819 -0.11205 0.04563 37 2PX 0.18531 -0.04465 -0.42893 0.27105 0.13816 38 2PY -0.29138 -0.07008 0.02748 0.09829 -0.18164 39 2PZ -0.12655 -0.25538 -0.19847 0.24743 0.08299 40 3S -0.07851 0.22938 0.43123 0.60626 0.16840 41 3PX -0.17153 0.11894 0.42017 -0.56345 -0.44380 42 3PY 0.32789 -0.28720 0.08115 -0.17898 0.07336 43 3PZ 0.00083 0.07525 0.19044 -0.01090 0.16156 44 4XX -0.00110 0.00499 -0.00282 -0.03400 -0.02024 45 4YY 0.03075 -0.00894 -0.01518 -0.02856 -0.04154 46 4ZZ -0.00806 -0.00468 -0.03590 0.04571 0.02862 47 4XY -0.01557 -0.00201 0.00165 -0.04489 0.01279 48 4XZ -0.01315 -0.01794 0.04546 0.00028 0.02525 49 4YZ 0.02102 0.00072 0.04355 0.01250 -0.00429 50 6 H 1S -0.00334 0.05381 -0.27745 -0.11957 -0.11446 51 2S 0.00424 -0.07043 0.03198 0.19743 0.16030 52 7 C 1S -0.04632 -0.02623 0.01407 0.01254 -0.00104 53 2S 0.03246 -0.00646 -0.11809 0.11278 0.02817 54 2PX -0.13013 -0.05007 0.03077 0.15881 -0.00097 55 2PY -0.12516 -0.10259 -0.01975 -0.20497 0.01473 56 2PZ -0.07625 -0.18502 0.06683 0.17170 0.47595 57 3S -0.15288 -0.31905 0.20928 -0.69232 -0.46994 58 3PX 0.44476 0.45086 -0.23763 -0.33636 -0.07692 59 3PY -0.00200 0.30561 0.18139 1.03705 0.25212 60 3PZ 0.00279 -0.14144 0.02337 -0.00479 -0.67613 61 4XX 0.02051 0.02110 0.01123 0.04994 0.01343 62 4YY -0.03097 -0.03321 -0.04555 -0.02833 -0.01771 63 4ZZ -0.03576 -0.02670 0.03473 -0.00282 0.00487 64 4XY 0.04085 0.02576 0.01120 -0.02042 -0.02176 65 4XZ 0.05642 0.04832 -0.02306 0.01908 0.01275 66 4YZ 0.01874 0.03574 0.00858 -0.02275 -0.00153 67 8 H 1S -0.26019 -0.16272 -0.12942 -0.07990 -0.00919 68 2S 0.09705 -0.03085 0.00554 -0.40122 -0.06601 69 9 C 1S 0.01557 -0.00149 -0.00882 -0.00145 0.03158 70 2S -0.10464 -0.10795 -0.00448 -0.02719 -0.29243 71 2PX 0.04330 -0.08075 0.12327 -0.16170 -0.07535 72 2PY -0.31593 -0.01080 0.18178 0.23225 0.42723 73 2PZ 0.29891 0.36421 -0.02920 0.13773 0.04013 74 3S 0.32124 0.41328 -0.11781 -0.07302 1.22635 75 3PX -0.14522 0.16687 -0.14363 0.36675 0.21030 76 3PY 0.46823 0.09321 -0.31464 -0.59833 -0.97404 77 3PZ -0.31326 -0.99073 0.10365 -0.48267 -0.28463 78 4XX -0.01735 0.02032 0.00495 0.04328 -0.03423 79 4YY 0.03125 -0.00695 -0.02413 -0.05751 0.04438 80 4ZZ -0.00012 -0.01721 0.00441 0.00663 0.00147 81 4XY 0.01913 0.00252 0.01481 0.00273 0.00479 82 4XZ 0.00450 0.01014 0.02309 0.00626 -0.02426 83 4YZ -0.00806 0.00242 -0.02783 -0.05117 -0.02132 84 10 H 1S 0.00579 0.01139 -0.00396 0.05501 0.05704 85 2S 0.00858 0.07788 -0.00857 0.14556 0.21601 86 11 H 1S -0.05612 0.05970 -0.12197 0.10626 0.06734 87 2S -0.02795 -0.00392 0.00002 0.20527 0.19068 88 12 C 1S 0.01558 0.00150 -0.00881 -0.00149 -0.03158 89 2S -0.10470 0.10796 -0.00450 -0.02677 0.29243 90 2PX 0.04321 0.08075 0.12325 -0.16172 0.07564 91 2PY 0.31571 -0.01040 -0.18187 -0.23180 0.42745 92 2PZ 0.29898 -0.36420 -0.02947 0.13735 -0.04007 93 3S 0.32126 -0.41311 -0.11768 -0.07465 -1.22630 94 3PX -0.14522 -0.16701 -0.14369 0.36674 -0.21095 95 3PY -0.46828 0.09233 0.31503 0.59750 -0.97469 96 3PZ -0.31332 0.99081 0.10431 -0.48136 0.28479 97 4XX -0.01737 -0.02034 0.00492 0.04331 0.03418 98 4YY 0.03126 0.00701 -0.02413 -0.05758 -0.04432 99 4ZZ -0.00012 0.01718 0.00444 0.00667 -0.00148 100 4XY -0.01914 0.00253 -0.01482 -0.00272 0.00478 101 4XZ 0.00448 -0.01019 0.02307 0.00629 0.02428 102 4YZ 0.00807 0.00238 0.02783 0.05114 -0.02137 103 13 H 1S -0.05616 -0.05964 -0.12199 0.10615 -0.06752 104 2S -0.02807 0.00387 0.00000 0.20502 -0.19095 105 14 H 1S 0.00581 -0.01146 -0.00395 0.05496 -0.05709 106 2S 0.00861 -0.07792 -0.00853 0.14521 -0.21611 107 15 C 1S -0.00241 0.01398 -0.01291 -0.00390 0.00895 108 2S -0.28981 0.27508 -0.23736 -0.07766 -0.12468 109 2PX 0.11146 -0.24784 0.18025 -0.02022 -0.06882 110 2PY 0.04290 -0.27923 -0.04557 0.14356 -0.18565 111 2PZ -0.11418 0.21643 -0.04811 -0.09260 0.10011 112 3S 0.55234 -0.71484 0.26887 0.48585 0.74142 113 3PX -0.21125 0.65957 -0.21913 -0.03836 0.31478 114 3PY -0.12517 0.40060 0.13120 -0.45206 0.84632 115 3PZ 0.20971 -0.55842 0.02902 0.04667 0.10669 116 4XX 0.01661 -0.02733 -0.02978 0.02367 -0.04150 117 4YY -0.03309 0.05325 -0.03418 0.01493 0.03354 118 4ZZ -0.00420 -0.00780 0.00771 -0.03248 -0.00370 119 4XY 0.00820 -0.00261 0.02017 0.00424 0.00331 120 4XZ 0.01690 -0.00070 0.01728 -0.00246 -0.00240 121 4YZ -0.03498 0.00645 -0.03068 -0.05268 0.00880 122 16 H 1S -0.08877 0.09516 -0.13797 -0.22942 0.17965 123 2S 0.03314 -0.04666 0.10725 -0.17987 0.27219 124 17 C 1S -0.00240 -0.01397 -0.01292 -0.00393 -0.00896 125 2S -0.28984 -0.27494 -0.23753 -0.07768 0.12459 126 2PX 0.11135 0.24790 0.18034 -0.02002 0.06894 127 2PY -0.04270 -0.27914 0.04555 -0.14392 -0.18539 128 2PZ -0.11415 -0.21637 -0.04819 -0.09275 -0.10008 129 3S 0.55275 0.71460 0.26965 0.48574 -0.74182 130 3PX -0.21108 -0.65962 -0.21942 -0.03910 -0.31493 131 3PY 0.12471 0.40035 -0.13153 0.45299 0.84568 132 3PZ 0.20991 0.55849 0.02933 0.04683 -0.10649 133 4XX 0.01660 0.02735 -0.02979 0.02373 0.04146 134 4YY -0.03307 -0.05324 -0.03420 0.01483 -0.03359 135 4ZZ -0.00420 0.00781 0.00772 -0.03245 0.00374 136 4XY -0.00820 -0.00260 -0.02018 -0.00424 0.00331 137 4XZ 0.01691 0.00070 0.01727 -0.00245 0.00241 138 4YZ 0.03497 0.00639 0.03067 0.05271 0.00875 139 18 H 1S -0.08872 -0.09495 -0.13795 -0.22968 -0.17951 140 2S 0.03328 0.04668 0.10740 -0.18006 -0.27188 141 19 O 1S 0.00410 -0.00690 0.00145 0.00694 -0.00342 142 2S -0.00993 0.01804 -0.07145 -0.07653 0.04182 143 2PX 0.05585 -0.08022 -0.02007 -0.02229 -0.02444 144 2PY 0.08114 -0.12706 0.08263 0.14743 -0.03775 145 2PZ -0.03657 0.04692 -0.08766 -0.02393 -0.04098 146 3S -0.19020 0.50387 0.06060 -0.08153 0.04225 147 3PX -0.09444 0.18600 -0.00225 -0.06859 0.04866 148 3PY -0.05426 0.09678 -0.05589 -0.04555 -0.03659 149 3PZ 0.09102 -0.12727 0.01949 0.05534 -0.04686 150 4XX -0.02203 0.04661 -0.02068 -0.03135 0.03345 151 4YY 0.00080 -0.00582 -0.02448 -0.02901 0.00037 152 4ZZ 0.00311 0.00776 -0.02402 -0.01838 0.00355 153 4XY -0.01178 0.01929 -0.01040 -0.01825 0.00145 154 4XZ 0.03318 -0.06067 0.02436 0.00955 -0.01231 155 4YZ 0.00504 -0.01504 0.01274 0.00404 -0.00315 156 20 O 1S 0.00409 0.00690 0.00145 0.00695 0.00342 157 2S -0.00994 -0.01795 -0.07148 -0.07663 -0.04179 158 2PX 0.05581 0.08031 -0.02005 -0.02224 0.02445 159 2PY -0.08106 -0.12695 -0.08264 -0.14749 -0.03762 160 2PZ -0.03659 -0.04687 -0.08773 -0.02395 0.04095 161 3S -0.19005 -0.50400 0.06047 -0.08170 -0.04214 162 3PX -0.09448 -0.18601 -0.00235 -0.06877 -0.04859 163 3PY 0.05422 0.09675 0.05595 0.04553 -0.03660 164 3PZ 0.09105 0.12729 0.01958 0.05552 0.04682 165 4XX -0.02202 -0.04659 -0.02070 -0.03141 -0.03343 166 4YY 0.00080 0.00586 -0.02448 -0.02901 -0.00035 167 4ZZ 0.00311 -0.00773 -0.02403 -0.01840 -0.00354 168 4XY 0.01178 0.01926 0.01042 0.01826 0.00142 169 4XZ 0.03316 0.06066 0.02439 0.00959 0.01231 170 4YZ -0.00505 -0.01502 -0.01275 -0.00406 -0.00315 171 21 C 1S 0.00467 0.00000 -0.00418 -0.00218 0.00000 172 2S -0.06295 0.00004 -0.06891 -0.07583 0.00001 173 2PX 0.04750 0.00003 -0.01913 -0.02634 0.00000 174 2PY 0.00007 -0.01228 0.00006 0.00006 -0.00271 175 2PZ 0.01036 0.00009 -0.12375 -0.03517 -0.00001 176 3S 0.08100 -0.00007 0.22557 0.14312 0.00002 177 3PX -0.32465 -0.00002 -0.14550 0.01450 -0.00005 178 3PY -0.00017 -0.02461 -0.00016 -0.00019 -0.07902 179 3PZ 0.07598 -0.00027 0.54225 0.14795 0.00008 180 4XX 0.00808 0.00000 0.01861 -0.00697 0.00001 181 4YY -0.00965 0.00000 0.00152 0.02446 -0.00002 182 4ZZ 0.00178 0.00001 -0.02913 -0.02349 0.00000 183 4XY 0.00000 0.02349 0.00001 0.00001 0.01405 184 4XZ -0.02425 0.00001 -0.03069 -0.01744 0.00000 185 4YZ 0.00000 -0.01306 0.00000 0.00001 0.00501 186 22 H 1S -0.07807 0.00002 -0.07362 -0.06627 0.00001 187 2S -0.16622 -0.00005 -0.02022 0.04145 -0.00004 188 23 H 1S -0.05596 0.00007 -0.21431 -0.11973 -0.00002 189 2S -0.02026 0.00012 -0.26697 -0.05898 -0.00005 81 82 83 84 85 V V V V V Eigenvalues -- 0.67782 0.68827 0.70862 0.72263 0.74506 1 1 C 1S -0.01486 0.00377 0.02265 0.00056 0.00012 2 2S 0.23454 0.07680 -0.27911 -0.10587 0.09723 3 2PX 0.16709 0.00403 -0.35156 -0.08747 0.33236 4 2PY 0.17320 0.16990 -0.27908 0.09137 -0.05521 5 2PZ -0.05642 -0.02903 -0.08506 -0.63554 0.09452 6 3S -0.99616 0.06966 0.63932 0.41419 -0.02829 7 3PX 0.01028 -0.15722 0.92122 -0.16716 -0.61405 8 3PY -0.64701 -0.28622 0.59585 -0.21433 0.14408 9 3PZ 0.15909 0.00423 0.17913 1.56111 -0.17521 10 4XX 0.03995 -0.00717 0.00257 -0.00473 -0.00579 11 4YY -0.01358 0.02143 0.01191 -0.04212 -0.01847 12 4ZZ -0.03019 -0.01239 -0.00404 0.03004 0.03233 13 4XY 0.00462 0.00978 -0.00073 -0.01693 0.01526 14 4XZ 0.02745 -0.02298 -0.02026 0.00634 -0.00072 15 4YZ 0.00317 -0.03626 -0.00773 0.01621 0.01003 16 2 H 1S -0.07502 0.18599 0.04133 -0.09148 -0.06893 17 2S -0.09122 -0.10612 0.21170 -0.00675 0.08036 18 3 C 1S 0.04736 0.03151 -0.02877 0.01461 0.02474 19 2S -0.13018 0.06946 -0.15338 0.09960 -0.14600 20 2PX 0.40769 -0.30388 0.06754 0.09296 -0.28339 21 2PY -0.22614 -0.12060 -0.23315 0.10832 -0.08127 22 2PZ 0.25051 -0.10120 0.20139 0.02113 -0.25060 23 3S 0.60515 -0.39489 -0.38276 0.45522 0.30245 24 3PX -0.75290 0.70109 -0.01543 -0.38533 0.83319 25 3PY 0.36785 -0.23613 0.36824 -0.26809 0.05484 26 3PZ -0.37875 -0.02768 -0.48206 -0.01669 0.47842 27 4XX -0.01682 0.01272 -0.02250 0.01209 -0.00159 28 4YY 0.04801 0.01641 -0.03854 0.02662 0.01474 29 4ZZ 0.01950 0.00298 -0.00616 0.00011 -0.01594 30 4XY -0.00142 -0.00880 -0.02997 0.03890 0.01242 31 4XZ -0.05012 -0.03019 0.06042 -0.03087 -0.00984 32 4YZ -0.00652 0.00994 0.03258 -0.01909 -0.00716 33 4 H 1S 0.17490 0.12539 -0.08957 0.06720 0.03626 34 2S -0.06330 -0.34275 -0.05941 0.07135 -0.11548 35 5 C 1S -0.04736 -0.03152 -0.02877 0.01461 -0.02474 36 2S 0.13019 -0.06950 -0.15334 0.09960 0.14590 37 2PX -0.40773 0.30391 0.06728 0.09286 0.28343 38 2PY -0.22617 -0.12049 0.23322 -0.10840 -0.08128 39 2PZ -0.25061 0.10123 0.20139 0.02097 0.25055 40 3S -0.60503 0.39507 -0.38292 0.45515 -0.30228 41 3PX 0.75292 -0.70120 -0.01508 -0.38503 -0.83324 42 3PY 0.36797 -0.23635 -0.36797 0.26805 0.05486 43 3PZ 0.37897 0.02759 -0.48196 -0.01652 -0.47841 44 4XX 0.01683 -0.01272 -0.02252 0.01211 0.00158 45 4YY -0.04800 -0.01643 -0.03850 0.02659 -0.01474 46 4ZZ -0.01951 -0.00298 -0.00617 0.00012 0.01594 47 4XY -0.00141 -0.00881 0.02996 -0.03890 0.01243 48 4XZ 0.05012 0.03020 0.06043 -0.03089 0.00984 49 4YZ -0.00651 0.00994 -0.03258 0.01909 -0.00716 50 6 H 1S -0.17490 -0.12543 -0.08953 0.06718 -0.03620 51 2S 0.06331 0.34280 -0.05944 0.07128 0.11544 52 7 C 1S 0.01486 -0.00377 0.02266 0.00056 -0.00011 53 2S -0.23457 -0.07681 -0.27908 -0.10582 -0.09745 54 2PX -0.16700 -0.00420 -0.35165 -0.08735 -0.33221 55 2PY 0.17316 0.16987 0.27910 -0.09125 -0.05508 56 2PZ 0.05654 0.02900 -0.08492 -0.63554 -0.09468 57 3S 0.99620 -0.06977 0.63927 0.41417 0.02867 58 3PX -0.01044 0.15742 0.92118 -0.16714 0.61389 59 3PY -0.64691 -0.28606 -0.59591 0.21399 0.14394 60 3PZ -0.15934 -0.00400 0.17905 1.56108 0.17561 61 4XX -0.03995 0.00717 0.00256 -0.00473 0.00579 62 4YY 0.01358 -0.02142 0.01191 -0.04210 0.01846 63 4ZZ 0.03019 0.01238 -0.00403 0.03003 -0.03234 64 4XY 0.00462 0.00977 0.00071 0.01694 0.01528 65 4XZ -0.02745 0.02299 -0.02028 0.00635 0.00074 66 4YZ 0.00317 -0.03627 0.00774 -0.01622 0.01003 67 8 H 1S 0.07502 -0.18600 0.04143 -0.09149 0.06892 68 2S 0.09117 0.10608 0.21172 -0.00679 -0.08030 69 9 C 1S -0.00797 -0.02505 -0.00226 -0.02535 0.00464 70 2S 0.16491 0.26123 -0.04192 0.13679 -0.02139 71 2PX 0.08389 -0.04485 0.07837 0.04921 0.09243 72 2PY -0.01255 -0.47086 0.02305 0.30072 0.00067 73 2PZ -0.26587 -0.15550 -0.15202 -0.15034 0.06753 74 3S -0.56612 -0.90179 0.05232 -1.05356 -0.01721 75 3PX -0.25721 -0.05421 -0.28947 -0.18033 -0.25451 76 3PY 0.32663 1.37140 0.12566 -0.70357 0.00565 77 3PZ 0.93253 0.65071 0.37097 0.49603 -0.28404 78 4XX -0.00531 0.01001 -0.01133 0.03569 0.00352 79 4YY 0.00156 -0.04255 0.00392 -0.01062 0.00005 80 4ZZ 0.00691 0.02920 0.00000 -0.05457 0.00040 81 4XY -0.00210 0.00173 0.01250 -0.03226 -0.00038 82 4XZ -0.00641 -0.01827 0.01278 0.00437 0.01386 83 4YZ -0.00107 0.00021 0.04778 0.00452 0.00446 84 10 H 1S -0.09575 -0.16754 0.02200 -0.21136 0.01982 85 2S -0.16257 -0.29659 -0.20838 0.09545 0.09583 86 11 H 1S -0.06335 -0.12409 -0.06941 0.00660 0.05904 87 2S -0.17719 -0.30006 -0.13138 -0.12678 -0.04591 88 12 C 1S 0.00797 0.02504 -0.00227 -0.02535 -0.00465 89 2S -0.16491 -0.26124 -0.04189 0.13681 0.02134 90 2PX -0.08391 0.04489 0.07849 0.04922 -0.09249 91 2PY -0.01265 -0.47096 -0.02293 -0.30065 0.00058 92 2PZ 0.26586 0.15540 -0.15199 -0.15040 -0.06773 93 3S 0.56611 0.90166 0.05230 -1.05365 0.01702 94 3PX 0.25735 0.05414 -0.28977 -0.18040 0.25456 95 3PY 0.32695 1.37174 -0.12607 0.70342 0.00574 96 3PZ -0.93240 -0.65035 0.37074 0.49622 0.28450 97 4XX 0.00531 -0.01002 -0.01133 0.03569 -0.00351 98 4YY -0.00157 0.04254 0.00393 -0.01062 -0.00007 99 4ZZ -0.00690 -0.02920 -0.00001 -0.05458 -0.00041 100 4XY -0.00209 0.00173 -0.01251 0.03227 -0.00038 101 4XZ 0.00641 0.01828 0.01279 0.00438 -0.01384 102 4YZ -0.00106 0.00025 -0.04778 -0.00450 0.00441 103 13 H 1S 0.06340 0.12412 -0.06948 0.00669 -0.05911 104 2S 0.17716 0.29997 -0.13145 -0.12680 0.04594 105 14 H 1S 0.09572 0.16748 0.02200 -0.21146 -0.01976 106 2S 0.16259 0.29670 -0.20838 0.09551 -0.09614 107 15 C 1S 0.00471 0.01032 -0.00338 -0.01239 0.00415 108 2S 0.10668 -0.07440 -0.23203 -0.06340 0.36521 109 2PX -0.28237 0.04701 0.07007 0.03554 -0.32929 110 2PY 0.01977 -0.18496 0.12127 0.03046 0.46111 111 2PZ -0.11062 0.14636 -0.17562 0.11673 -0.03574 112 3S -0.44328 0.68066 0.78796 0.35877 -2.12387 113 3PX 0.66028 0.01172 -0.23631 0.09975 1.11731 114 3PY -0.14848 0.94778 -0.42387 -0.18696 -1.35036 115 3PZ 0.13242 -0.18897 0.46718 -0.11777 -0.60307 116 4XX 0.01316 -0.04521 0.03279 -0.02780 0.01376 117 4YY -0.00341 0.03739 -0.00982 -0.00424 -0.06596 118 4ZZ 0.00411 0.01083 -0.03340 0.01242 0.02742 119 4XY -0.00607 0.00564 0.03990 0.01214 -0.01782 120 4XZ 0.00769 0.00540 -0.00982 0.01250 -0.00410 121 4YZ 0.00173 0.00875 0.01073 -0.01314 0.00657 122 16 H 1S 0.02860 0.19286 0.03957 -0.07259 0.06035 123 2S -0.03227 0.14885 -0.08362 -0.04543 -0.48324 124 17 C 1S -0.00471 -0.01033 -0.00339 -0.01238 -0.00416 125 2S -0.10664 0.07429 -0.23199 -0.06349 -0.36522 126 2PX 0.28231 -0.04695 0.07010 0.03551 0.32917 127 2PY 0.01978 -0.18496 -0.12128 -0.03039 0.46111 128 2PZ 0.11059 -0.14642 -0.17557 0.11661 0.03571 129 3S 0.44299 -0.68032 0.78783 0.35935 2.12387 130 3PX -0.66023 -0.01184 -0.23631 0.09976 -1.11722 131 3PY -0.14860 0.94790 0.42394 0.18642 -1.35051 132 3PZ -0.13253 0.18928 0.46718 -0.11740 0.60294 133 4XX -0.01316 0.04522 0.03278 -0.02780 -0.01373 134 4YY 0.00341 -0.03740 -0.00983 -0.00422 0.06595 135 4ZZ -0.00410 -0.01084 -0.03340 0.01243 -0.02744 136 4XY -0.00606 0.00564 -0.03989 -0.01214 -0.01780 137 4XZ -0.00769 -0.00540 -0.00983 0.01251 0.00412 138 4YZ 0.00172 0.00875 -0.01073 0.01314 0.00663 139 18 H 1S -0.02856 -0.19293 0.03960 -0.07252 -0.06042 140 2S 0.03227 -0.14885 -0.08367 -0.04520 0.48335 141 19 O 1S -0.00161 -0.00610 0.01144 0.00190 -0.00794 142 2S -0.04465 0.01377 -0.01284 0.04075 -0.06471 143 2PX -0.09087 -0.05776 0.20934 -0.05399 -0.09332 144 2PY -0.05282 -0.09920 0.08883 0.03721 -0.02704 145 2PZ -0.06582 -0.10080 0.09147 -0.00006 -0.04743 146 3S 0.31489 0.20137 -0.44551 -0.08661 0.64054 147 3PX 0.05623 0.09537 -0.28494 -0.01504 0.25152 148 3PY 0.07094 0.03257 -0.12037 0.00561 0.15911 149 3PZ -0.02782 0.03724 0.06586 -0.00611 -0.13162 150 4XX -0.00688 0.02825 -0.04103 0.02547 -0.01192 151 4YY -0.01110 -0.01141 0.00422 0.00959 0.00569 152 4ZZ -0.00353 0.00119 0.01525 0.00681 -0.03603 153 4XY 0.00092 -0.00320 -0.00484 -0.00371 0.02714 154 4XZ -0.01854 -0.00536 0.02734 -0.00767 -0.02341 155 4YZ -0.01850 0.01236 0.01356 0.01419 -0.04448 156 20 O 1S 0.00160 0.00610 0.01144 0.00190 0.00794 157 2S 0.04465 -0.01382 -0.01280 0.04072 0.06475 158 2PX 0.09083 0.05779 0.20936 -0.05403 0.09332 159 2PY -0.05280 -0.09927 -0.08883 -0.03722 -0.02706 160 2PZ 0.06580 0.10076 0.09148 -0.00015 0.04748 161 3S -0.31477 -0.20148 -0.44556 -0.08659 -0.64062 162 3PX -0.05616 -0.09546 -0.28494 -0.01503 -0.25152 163 3PY 0.07090 0.03263 0.12033 -0.00556 0.15909 164 3PZ 0.02780 -0.03720 0.06587 -0.00609 0.13165 165 4XX 0.00689 -0.02827 -0.04102 0.02547 0.01192 166 4YY 0.01111 0.01139 0.00424 0.00958 -0.00566 167 4ZZ 0.00352 -0.00119 0.01525 0.00680 0.03603 168 4XY 0.00091 -0.00320 0.00482 0.00373 0.02714 169 4XZ 0.01854 0.00537 0.02733 -0.00766 0.02341 170 4YZ -0.01849 0.01236 -0.01356 -0.01419 -0.04449 171 21 C 1S 0.00000 0.00000 -0.01304 0.00774 0.00000 172 2S -0.00001 -0.00006 -0.05464 0.09205 0.00005 173 2PX 0.00000 -0.00003 0.06731 -0.07115 0.00006 174 2PY -0.04970 -0.12001 -0.00004 0.00003 0.02840 175 2PZ -0.00003 -0.00005 0.20819 -0.08727 0.00008 176 3S 0.00001 0.00012 0.14531 -0.21427 -0.00010 177 3PX 0.00003 0.00003 -0.39488 0.27979 -0.00013 178 3PY 0.10932 0.19880 0.00007 -0.00006 -0.15241 179 3PZ 0.00002 0.00012 -0.33254 0.18581 -0.00021 180 4XX 0.00000 0.00000 -0.00365 0.01374 0.00001 181 4YY 0.00000 0.00000 0.00333 0.02460 0.00001 182 4ZZ 0.00000 -0.00001 -0.01096 -0.00908 0.00000 183 4XY 0.01351 0.01329 0.00000 0.00000 0.01918 184 4XZ 0.00001 0.00000 -0.03945 0.00756 0.00000 185 4YZ -0.00709 -0.01344 0.00000 0.00000 -0.00026 186 22 H 1S 0.00002 -0.00003 -0.23398 0.07234 0.00004 187 2S 0.00001 0.00001 -0.23030 0.20854 -0.00012 188 23 H 1S 0.00004 -0.00004 -0.14821 -0.00145 0.00001 189 2S -0.00002 -0.00006 0.24813 -0.03820 0.00016 86 87 88 89 90 V V V V V Eigenvalues -- 0.77135 0.77858 0.80106 0.80766 0.81615 1 1 C 1S 0.00463 0.00187 -0.01843 -0.00525 0.00186 2 2S 0.12133 0.03109 0.14360 0.13228 0.00982 3 2PX -0.28848 0.32675 0.34964 -0.13693 0.06870 4 2PY 0.33544 0.07800 0.01438 0.13506 -0.07128 5 2PZ 0.08012 -0.15179 0.14933 -0.02696 0.05650 6 3S -0.06503 -0.43538 -0.14990 0.03653 -0.18870 7 3PX 0.29678 -0.85517 -0.29259 0.26659 -0.09338 8 3PY -0.73705 -0.45035 0.24591 -0.05075 0.10554 9 3PZ -0.27897 0.61844 -0.85750 0.10551 -0.12696 10 4XX 0.01672 -0.00349 0.00786 -0.01541 -0.01098 11 4YY -0.01877 0.00286 0.03483 0.01799 0.00083 12 4ZZ 0.00557 -0.01341 -0.04320 0.00377 0.01087 13 4XY 0.02093 -0.03487 -0.02431 0.01598 0.00163 14 4XZ -0.03513 0.00021 -0.00741 -0.00284 0.01101 15 4YZ -0.01483 0.01455 0.00001 -0.00176 0.00476 16 2 H 1S 0.06060 -0.02122 -0.06773 0.09869 -0.02449 17 2S -0.31260 -0.20198 0.03377 -0.06833 0.08514 18 3 C 1S -0.01653 0.01280 0.00317 0.01290 -0.00692 19 2S 0.28340 -0.12340 0.08901 0.06920 -0.03466 20 2PX -0.02790 0.05731 -0.01038 -0.16199 0.07158 21 2PY -0.09316 0.13739 0.44098 0.08468 -0.03932 22 2PZ 0.15393 -0.09339 -0.09486 -0.00763 -0.01960 23 3S -0.38927 0.99458 -1.14360 -0.10118 0.02472 24 3PX -0.06816 -0.24816 0.73632 0.22859 -0.09547 25 3PY 0.27246 -0.43931 -1.05559 -0.06777 0.03355 26 3PZ -0.13582 0.33274 -0.22748 -0.07124 0.11284 27 4XX -0.00633 0.01615 0.02267 0.01887 0.00594 28 4YY 0.01757 0.00644 -0.06216 0.00373 -0.00381 29 4ZZ 0.01096 -0.01250 0.03017 -0.00373 -0.01214 30 4XY 0.02104 0.03056 0.00674 -0.02692 0.01057 31 4XZ 0.00357 -0.02096 -0.02086 -0.02557 0.01433 32 4YZ -0.00764 -0.04833 -0.01419 0.02003 -0.00783 33 4 H 1S -0.16349 -0.04464 -0.06102 0.16767 -0.06395 34 2S 0.21455 0.06384 -0.49692 -0.24844 0.14563 35 5 C 1S -0.01654 0.01281 -0.00319 0.01289 -0.00692 36 2S 0.28353 -0.12352 -0.08884 0.06915 -0.03463 37 2PX -0.02782 0.05742 0.01045 -0.16202 0.07169 38 2PY 0.09272 -0.13744 0.44108 -0.08403 0.03907 39 2PZ 0.15396 -0.09343 0.09508 -0.00749 -0.01959 40 3S -0.39017 0.99489 1.14376 -0.10018 0.02465 41 3PX -0.06782 -0.24844 -0.73658 0.22794 -0.09579 42 3PY -0.27190 0.43947 -1.05583 0.06623 -0.03290 43 3PZ -0.13643 0.33284 0.22722 -0.07119 0.11279 44 4XX -0.00630 0.01618 -0.02271 0.01883 0.00596 45 4YY 0.01751 0.00640 0.06219 0.00384 -0.00385 46 4ZZ 0.01099 -0.01249 -0.03016 -0.00379 -0.01212 47 4XY -0.02105 -0.03056 0.00666 0.02694 -0.01057 48 4XZ 0.00356 -0.02099 0.02090 -0.02551 0.01431 49 4YZ 0.00766 0.04834 -0.01410 -0.02006 0.00784 50 6 H 1S -0.16358 -0.04464 0.06063 0.16774 -0.06397 51 2S 0.21426 0.06376 0.49743 -0.24781 0.14550 52 7 C 1S 0.00463 0.00187 0.01844 -0.00523 0.00186 53 2S 0.12128 0.03106 -0.14370 0.13208 0.00977 54 2PX -0.28825 0.32685 -0.34969 -0.13748 0.06882 55 2PY -0.33555 -0.07794 0.01423 -0.13493 0.07115 56 2PZ 0.07999 -0.15197 -0.14939 -0.02711 0.05639 57 3S -0.06446 -0.43538 0.14997 0.03724 -0.18870 58 3PX 0.29698 -0.85547 0.29238 0.26733 -0.09358 59 3PY 0.73706 0.45020 0.24624 0.05049 -0.10511 60 3PZ -0.27898 0.61909 0.85807 0.10652 -0.12655 61 4XX 0.01673 -0.00352 -0.00780 -0.01540 -0.01099 62 4YY -0.01876 0.00286 -0.03489 0.01793 0.00085 63 4ZZ 0.00554 -0.01339 0.04319 0.00383 0.01083 64 4XY -0.02087 0.03487 -0.02431 -0.01603 -0.00160 65 4XZ -0.03515 0.00023 0.00740 -0.00284 0.01102 66 4YZ 0.01481 -0.01456 -0.00001 0.00178 -0.00478 67 8 H 1S 0.06060 -0.02130 0.06762 0.09880 -0.02448 68 2S -0.31263 -0.20201 -0.03394 -0.06808 0.08484 69 9 C 1S 0.00384 -0.00603 -0.00299 0.01099 -0.00094 70 2S 0.11380 -0.10505 0.06593 0.14093 -0.13436 71 2PX 0.09211 -0.04722 0.06695 -0.01899 0.22904 72 2PY 0.03246 0.12758 0.19351 -0.03507 -0.04437 73 2PZ 0.16190 -0.07121 -0.08262 0.01036 -0.01111 74 3S -0.14547 -0.22528 0.00604 -0.31236 0.37147 75 3PX -0.00693 0.24968 -0.11135 -0.10885 -0.27550 76 3PY -0.25479 -0.34373 -1.01661 -0.10442 0.18078 77 3PZ -0.57289 0.22867 0.39395 -0.16545 0.07773 78 4XX 0.02277 -0.00076 0.02975 0.01948 -0.00009 79 4YY -0.00520 -0.03617 0.02294 -0.00093 -0.00470 80 4ZZ 0.00114 0.00756 -0.04574 0.01033 -0.01619 81 4XY -0.03406 -0.01148 -0.00933 0.06605 -0.05627 82 4XZ -0.01151 0.03418 -0.05485 0.02050 -0.03946 83 4YZ -0.07807 0.00835 -0.00355 0.00911 -0.00709 84 10 H 1S -0.09754 0.00966 -0.23480 0.30332 -0.23590 85 2S 0.45609 -0.21910 0.31042 -0.04704 0.22848 86 11 H 1S 0.17435 -0.06558 0.23391 -0.02178 0.16207 87 2S 0.12467 0.19561 -0.06056 0.13230 -0.43670 88 12 C 1S 0.00383 -0.00602 0.00299 0.01098 -0.00094 89 2S 0.11385 -0.10510 -0.06597 0.14084 -0.13426 90 2PX 0.09183 -0.04722 -0.06664 -0.01912 0.22891 91 2PY -0.03251 -0.12750 0.19337 0.03530 0.04446 92 2PZ 0.16194 -0.07124 0.08277 0.01046 -0.01101 93 3S -0.14548 -0.22526 -0.00643 -0.31204 0.37114 94 3PX -0.00599 0.24971 0.11112 -0.10853 -0.27507 95 3PY 0.25528 0.34324 -1.01609 0.10335 -0.18124 96 3PZ -0.57275 0.22872 -0.39428 -0.16619 0.07754 97 4XX 0.02280 -0.00077 -0.02974 0.01943 -0.00006 98 4YY -0.00522 -0.03618 -0.02295 -0.00096 -0.00471 99 4ZZ 0.00115 0.00759 0.04572 0.01040 -0.01620 100 4XY 0.03406 0.01147 -0.00920 -0.06606 0.05628 101 4XZ -0.01157 0.03420 0.05479 0.02055 -0.03947 102 4YZ 0.07809 -0.00836 -0.00350 -0.00913 0.00711 103 13 H 1S 0.17452 -0.06558 -0.23357 -0.02212 0.16215 104 2S 0.12494 0.19564 0.06015 0.13247 -0.43656 105 14 H 1S -0.09778 0.00971 0.23429 0.30365 -0.23599 106 2S 0.45617 -0.21926 -0.30973 -0.04740 0.22843 107 15 C 1S 0.00227 0.01592 0.00726 0.00217 0.00563 108 2S -0.06093 -0.02475 -0.07085 0.18552 -0.07736 109 2PX 0.25940 -0.19819 0.03091 -0.12442 -0.02618 110 2PY -0.07383 -0.09692 -0.32910 0.11281 0.02714 111 2PZ 0.13617 -0.21764 -0.19915 0.27563 -0.05409 112 3S 0.09310 -0.53362 0.92196 0.13015 0.07816 113 3PX -0.20827 0.31712 -0.45604 0.35415 -0.02171 114 3PY 0.20739 0.51863 1.60037 -0.34434 -0.06473 115 3PZ -0.07701 0.28325 0.55009 -0.41803 -0.01846 116 4XX -0.01873 0.00414 -0.02093 -0.02256 -0.01201 117 4YY -0.01877 -0.02157 0.05748 0.03282 -0.00530 118 4ZZ 0.04121 0.02455 -0.00761 0.00441 0.01788 119 4XY -0.03460 -0.05040 0.00389 0.03333 0.00000 120 4XZ -0.03448 -0.04005 0.00702 -0.04223 0.00445 121 4YZ 0.06527 0.01549 -0.00386 -0.03376 0.00874 122 16 H 1S 0.30932 0.23121 -0.01143 -0.05217 0.00834 123 2S -0.27364 0.22538 0.71848 -0.27064 -0.10755 124 17 C 1S 0.00228 0.01593 -0.00727 0.00216 0.00563 125 2S -0.06125 -0.02472 0.07043 0.18556 -0.07747 126 2PX 0.25948 -0.19828 -0.03051 -0.12439 -0.02617 127 2PY 0.07429 0.09669 -0.32900 -0.11318 -0.02704 128 2PZ 0.13596 -0.21742 0.19891 0.27581 -0.05418 129 3S 0.09505 -0.53481 -0.92164 0.12943 0.07877 130 3PX -0.20888 0.31786 0.45546 0.35446 -0.02187 131 3PY -0.20934 -0.51727 1.60013 0.34609 0.06419 132 3PZ -0.07610 0.28210 -0.54940 -0.41829 -0.01813 133 4XX -0.01877 0.00413 0.02091 -0.02253 -0.01203 134 4YY -0.01866 -0.02162 -0.05754 0.03274 -0.00529 135 4ZZ 0.04117 0.02456 0.00765 0.00442 0.01789 136 4XY 0.03460 0.05041 0.00397 -0.03332 -0.00001 137 4XZ -0.03445 -0.04004 -0.00695 -0.04224 0.00445 138 4YZ -0.06528 -0.01551 -0.00396 0.03377 -0.00875 139 18 H 1S 0.30932 0.23123 0.01168 -0.05218 0.00838 140 2S -0.27282 0.22451 -0.71846 -0.27125 -0.10733 141 19 O 1S -0.00764 -0.00464 -0.00317 0.00978 -0.00216 142 2S -0.01523 -0.19649 -0.03787 -0.13158 -0.01785 143 2PX 0.08529 0.10475 -0.08780 0.16795 0.05074 144 2PY -0.18638 -0.05669 -0.01220 0.12053 -0.00498 145 2PZ -0.05548 -0.05522 -0.13322 -0.05837 0.09649 146 3S 0.09086 0.45953 0.01562 0.20763 0.02192 147 3PX -0.01507 0.10121 0.08727 -0.17036 -0.12278 148 3PY 0.15716 -0.03144 -0.09973 -0.10335 0.01238 149 3PZ 0.08141 0.04195 0.09188 0.03416 -0.20248 150 4XX -0.01378 -0.04119 -0.00334 0.01732 0.02339 151 4YY 0.02010 -0.05453 -0.04217 -0.08485 -0.00220 152 4ZZ -0.02750 -0.08430 0.00095 -0.03589 -0.04408 153 4XY 0.02877 0.00832 -0.02725 -0.02156 -0.02759 154 4XZ 0.02725 0.01584 0.01320 -0.04417 0.01831 155 4YZ -0.01445 -0.04456 0.00421 0.00446 -0.03409 156 20 O 1S -0.00764 -0.00465 0.00315 0.00979 -0.00215 157 2S -0.01521 -0.19658 0.03812 -0.13145 -0.01792 158 2PX 0.08524 0.10469 0.08752 0.16813 0.05068 159 2PY 0.18641 0.05668 -0.01191 -0.12050 0.00494 160 2PZ -0.05554 -0.05521 0.13329 -0.05817 0.09639 161 3S 0.09055 0.46004 -0.01588 0.20728 0.02194 162 3PX -0.01510 0.10138 -0.08698 -0.17057 -0.12278 163 3PY -0.15703 0.03130 -0.10008 0.10323 -0.01227 164 3PZ 0.08147 0.04192 -0.09195 0.03403 -0.20239 165 4XX -0.01377 -0.04121 0.00335 0.01734 0.02337 166 4YY 0.02005 -0.05456 0.04233 -0.08477 -0.00224 167 4ZZ -0.02748 -0.08432 -0.00092 -0.03587 -0.04408 168 4XY -0.02874 -0.00834 -0.02728 0.02155 0.02760 169 4XZ 0.02727 0.01583 -0.01313 -0.04418 0.01833 170 4YZ 0.01444 0.04458 0.00424 -0.00449 0.03410 171 21 C 1S -0.02006 -0.03746 0.00004 -0.04923 0.00014 172 2S -0.13745 -0.16740 -0.00021 0.31125 -0.06341 173 2PX 0.00700 0.18396 0.00009 -0.26388 -0.50890 174 2PY 0.00001 -0.00006 -0.06047 -0.00005 0.00009 175 2PZ 0.10317 0.35405 -0.00009 -0.03310 -0.61875 176 3S 0.21161 0.48791 0.00020 -0.43825 0.08285 177 3PX -0.37742 -0.86893 -0.00041 0.72212 1.00809 178 3PY -0.00006 0.00013 0.10804 0.00012 -0.00019 179 3PZ -0.00440 -0.90733 0.00034 -0.06942 1.24058 180 4XX -0.00666 -0.08745 0.00006 -0.11198 -0.13097 181 4YY -0.07589 -0.03255 -0.00009 0.10600 -0.01004 182 4ZZ 0.00887 0.04597 0.00004 -0.00847 0.13226 183 4XY 0.00001 0.00000 -0.00357 -0.00001 0.00001 184 4XZ -0.02815 -0.05095 -0.00002 0.00591 -0.04038 185 4YZ -0.00001 -0.00001 -0.00150 0.00001 -0.00002 186 22 H 1S -0.16185 -0.49148 0.00033 -0.58643 -0.54981 187 2S -0.19980 -0.42882 -0.00047 0.99055 1.36843 188 23 H 1S -0.08963 -0.01517 0.00024 -0.20589 0.54513 189 2S -0.05625 0.34851 -0.00033 0.12719 -1.34455 91 92 93 94 95 V V V V V Eigenvalues -- 0.83405 0.85086 0.85167 0.85699 0.88176 1 1 C 1S -0.00011 -0.00209 0.00889 -0.00635 -0.01050 2 2S 0.01323 -0.03853 0.14096 0.15427 0.27849 3 2PX 0.04896 0.05926 0.05227 0.06842 -0.19619 4 2PY 0.22103 0.06068 -0.03472 0.09014 -0.51446 5 2PZ 0.29125 0.09103 0.05821 0.18276 0.22556 6 3S -1.19567 0.28885 -0.41714 -1.09154 0.30308 7 3PX -0.65484 0.22885 0.17253 0.12161 1.26601 8 3PY -0.74407 0.32058 -0.04341 -0.73407 1.71115 9 3PZ -1.40058 -0.34187 -0.69122 -0.85553 -1.52417 10 4XX -0.03219 -0.03444 -0.04398 0.00144 0.05301 11 4YY 0.02643 0.05114 0.00574 -0.02315 -0.04393 12 4ZZ -0.02696 -0.02431 0.06306 0.01667 0.04053 13 4XY 0.02993 0.03350 0.01610 -0.01685 0.04382 14 4XZ 0.03653 0.01252 0.00968 0.01258 -0.03128 15 4YZ -0.00242 -0.00592 -0.00898 0.02645 -0.06002 16 2 H 1S 0.19081 0.07094 -0.00349 -0.01928 -0.26585 17 2S -0.55697 -0.08439 0.05205 -0.18225 1.29866 18 3 C 1S 0.00941 0.00978 0.00791 -0.02288 0.00123 19 2S -0.15357 0.03977 -0.04140 0.15861 0.08539 20 2PX -0.00072 -0.05762 0.06674 0.25100 -0.31634 21 2PY -0.19226 0.31800 -0.04239 -0.28294 -0.15016 22 2PZ -0.12456 0.24899 -0.04510 -0.43457 0.26619 23 3S 0.63129 -1.26684 -0.44760 0.73789 -1.22035 24 3PX -0.11083 0.59589 -0.03062 -0.89975 1.79101 25 3PY 0.39347 -1.20431 0.36822 1.69622 0.88520 26 3PZ 0.93122 -0.87702 0.19099 1.59225 -1.46440 27 4XX -0.01458 0.01446 0.02804 0.00930 -0.02759 28 4YY 0.01806 -0.05139 -0.02343 0.05777 0.02149 29 4ZZ 0.00055 0.01611 -0.01425 -0.01053 -0.02342 30 4XY -0.01217 -0.01383 0.00277 0.01482 -0.00641 31 4XZ -0.01103 -0.01809 -0.01707 0.01500 0.03539 32 4YZ 0.02134 0.01264 0.04455 -0.01465 0.01039 33 4 H 1S 0.03534 0.13689 0.21011 -0.30325 0.08879 34 2S 0.29155 -0.84078 0.08107 1.54650 -0.69754 35 5 C 1S -0.00940 -0.00992 0.00770 0.02289 -0.00115 36 2S 0.15347 -0.03906 -0.04199 -0.15874 -0.08624 37 2PX 0.00071 0.05649 0.06820 -0.25077 0.31501 38 2PY -0.19233 0.31733 0.04889 -0.28296 -0.15102 39 2PZ 0.12454 -0.24823 -0.05034 0.43432 -0.26469 40 3S -0.63184 1.27477 -0.42251 -0.73859 1.22220 41 3PX 0.11118 -0.59544 -0.04314 0.89912 -1.78767 42 3PY 0.39365 -1.19802 -0.39355 1.69584 0.88699 43 3PZ -0.93141 0.87364 0.21017 -1.59126 1.46072 44 4XX 0.01460 -0.01496 0.02778 -0.00926 0.02756 45 4YY -0.01807 0.05178 -0.02236 -0.05782 -0.02148 46 4ZZ -0.00057 -0.01583 -0.01458 0.01052 0.02331 47 4XY -0.01213 -0.01382 -0.00301 0.01481 -0.00609 48 4XZ 0.01102 0.01839 -0.01671 -0.01502 -0.03551 49 4YZ 0.02129 0.01348 -0.04432 -0.01474 0.01016 50 6 H 1S -0.03514 -0.14073 0.20712 0.30360 -0.08757 51 2S -0.29192 0.83965 0.09923 -1.54609 0.69224 52 7 C 1S 0.00011 0.00194 0.00893 0.00637 0.01046 53 2S -0.01303 0.03607 0.14176 -0.15405 -0.27819 54 2PX -0.04901 -0.06009 0.05121 -0.06836 0.19617 55 2PY 0.22147 0.05992 0.03529 0.09005 -0.51330 56 2PZ -0.29114 -0.09202 0.05715 -0.18264 -0.22554 57 3S 1.19522 -0.28193 -0.42490 1.09064 -0.30180 58 3PX 0.65564 -0.23211 0.16831 -0.12109 -1.26529 59 3PY -0.74538 0.32036 0.05179 -0.73353 1.70654 60 3PZ 1.39983 0.35415 -0.68750 0.85409 1.52519 61 4XX 0.03216 0.03519 -0.04341 -0.00153 -0.05291 62 4YY -0.02641 -0.05120 0.00482 0.02315 0.04392 63 4ZZ 0.02701 0.02318 0.06350 -0.01654 -0.04050 64 4XY 0.02994 0.03381 -0.01552 -0.01689 0.04376 65 4XZ -0.03653 -0.01268 0.00951 -0.01256 0.03128 66 4YZ -0.00242 -0.00613 0.00881 0.02646 -0.05989 67 8 H 1S -0.19093 -0.07075 -0.00448 0.01937 0.26511 68 2S 0.55772 0.08302 0.05231 0.18185 -1.29569 69 9 C 1S -0.00193 0.01323 -0.02682 -0.00717 -0.00068 70 2S 0.00043 -0.07762 0.22970 0.07210 -0.08066 71 2PX 0.44089 -0.35891 -0.06802 -0.45981 -0.05472 72 2PY 0.26716 0.13855 0.04605 0.08276 0.14291 73 2PZ -0.18443 -0.22658 0.03634 -0.17552 -0.27449 74 3S -0.18868 0.30147 0.36574 -0.63224 0.38964 75 3PX -1.74290 1.10116 0.07998 1.18288 0.06118 76 3PY -1.15402 -0.57731 0.32276 -0.54709 -1.17485 77 3PZ 1.09211 0.82355 -0.16341 0.79962 1.18361 78 4XX -0.01557 0.00059 -0.04893 -0.00687 -0.02151 79 4YY 0.02373 0.00748 0.07754 0.01187 0.00373 80 4ZZ -0.01844 0.00304 0.00017 -0.01427 0.01216 81 4XY 0.00042 0.01075 0.00101 0.01380 -0.00692 82 4XZ 0.05083 0.03161 -0.06105 0.05510 0.00193 83 4YZ 0.00195 0.00210 -0.05302 0.00760 0.04481 84 10 H 1S 0.02087 0.13423 -0.42824 0.18315 0.05300 85 2S 0.32978 -0.82886 0.36174 -0.80763 -0.42009 86 11 H 1S -0.06697 -0.06074 -0.24698 -0.16855 -0.10315 87 2S -0.71070 0.59634 0.01772 0.92423 0.00067 88 12 C 1S 0.00192 -0.01276 -0.02706 0.00712 0.00072 89 2S -0.00029 0.07349 0.23123 -0.07167 0.08165 90 2PX -0.44120 0.36002 -0.06229 0.45957 0.05546 91 2PY 0.26710 0.13926 -0.04390 0.08261 0.14259 92 2PZ 0.18444 0.22600 0.03990 0.17571 0.27529 93 3S 0.18891 -0.30760 0.35865 0.63308 -0.39307 94 3PX 1.74343 -1.10223 0.06167 -1.18250 -0.06214 95 3PY -1.15412 -0.57126 -0.33142 -0.54742 -1.17373 96 3PZ -1.09214 -0.82098 -0.17585 -0.80043 -1.18472 97 4XX 0.01554 0.00027 -0.04893 0.00678 0.02169 98 4YY -0.02366 -0.00887 0.07741 -0.01174 -0.00367 99 4ZZ 0.01844 -0.00303 0.00008 0.01427 -0.01223 100 4XY 0.00041 0.01079 -0.00083 0.01380 -0.00675 101 4XZ -0.05084 -0.03052 -0.06146 -0.05521 -0.00190 102 4YZ 0.00194 0.00116 0.05306 0.00770 0.04496 103 13 H 1S 0.06672 0.06508 -0.24623 0.16800 0.10414 104 2S 0.71099 -0.59656 0.00836 -0.92409 -0.00122 105 14 H 1S -0.02106 -0.12666 -0.43013 -0.18392 -0.05351 106 2S -0.32987 0.82234 0.37502 0.80829 0.42236 107 15 C 1S 0.00944 0.01993 0.01201 0.00845 0.00130 108 2S -0.00241 -0.17419 -0.06734 -0.00242 0.15266 109 2PX 0.11288 -0.01847 -0.06372 0.00827 0.04087 110 2PY -0.11097 0.31218 -0.01294 -0.08999 -0.10983 111 2PZ 0.27728 0.40484 0.05726 -0.04902 -0.09171 112 3S 0.09471 -0.68005 0.14169 0.13130 -0.42392 113 3PX -0.33130 0.31139 0.03259 -0.15534 -0.16446 114 3PY 0.25948 -1.57093 -0.01260 0.44456 0.06749 115 3PZ -0.94875 -1.59731 -0.07728 0.14508 0.27519 116 4XX 0.01230 -0.03111 0.05516 -0.00776 0.01059 117 4YY 0.01772 -0.05266 -0.01968 0.01597 0.01172 118 4ZZ -0.02450 0.02497 0.00134 0.01184 -0.00084 119 4XY -0.00342 -0.00964 0.00392 -0.00271 0.00519 120 4XZ 0.00228 0.00105 -0.06158 0.00862 0.00369 121 4YZ -0.00945 0.02544 0.03506 0.00001 -0.00169 122 16 H 1S -0.06196 0.27435 0.08157 0.03945 -0.06285 123 2S -0.32783 -1.54646 -0.22555 0.19777 0.28522 124 17 C 1S -0.00944 -0.02013 0.01167 -0.00843 -0.00129 125 2S 0.00251 0.17541 -0.06432 0.00214 -0.15276 126 2PX -0.11298 0.01950 -0.06328 -0.00832 -0.04121 127 2PY -0.11085 0.31201 0.01869 -0.09006 -0.11011 128 2PZ -0.27734 -0.40586 0.05024 0.04922 0.09153 129 3S -0.09459 0.67726 0.15426 -0.13051 0.42416 130 3PX 0.33138 -0.31172 0.02655 0.15535 0.16520 131 3PY 0.25929 -1.57139 -0.01618 0.44488 0.06818 132 3PZ 0.94904 1.59827 -0.04942 -0.14529 -0.27554 133 4XX -0.01223 0.03012 0.05570 0.00785 -0.01068 134 4YY -0.01773 0.05299 -0.01869 -0.01601 -0.01170 135 4ZZ 0.02449 -0.02497 0.00087 -0.01184 0.00087 136 4XY -0.00349 -0.00955 -0.00407 -0.00271 0.00519 137 4XZ -0.00231 0.00002 -0.06157 -0.00874 -0.00362 138 4YZ -0.00947 0.02608 -0.03460 -0.00008 -0.00164 139 18 H 1S 0.06191 -0.27571 0.07666 -0.03924 0.06272 140 2S 0.32795 1.55033 -0.19800 -0.19853 -0.28560 141 19 O 1S -0.00277 -0.00751 0.00866 -0.00195 -0.00073 142 2S 0.06296 -0.09983 -0.23801 0.01327 0.07104 143 2PX 0.07312 -0.03821 0.14025 -0.01819 0.01256 144 2PY -0.03799 -0.03970 0.13364 -0.05504 -0.05734 145 2PZ 0.08959 -0.03134 -0.15244 -0.03070 -0.00137 146 3S 0.06799 0.48282 0.06012 -0.05656 -0.14609 147 3PX 0.05499 0.19176 -0.21269 0.05131 -0.01501 148 3PY 0.03839 0.20030 -0.30574 0.03244 0.06325 149 3PZ -0.01755 0.07600 0.07334 0.00784 -0.00441 150 4XX 0.01966 -0.01802 -0.09603 0.02175 0.01261 151 4YY 0.01098 -0.02302 -0.07881 -0.01504 0.01027 152 4ZZ 0.02504 -0.04110 -0.04412 0.00440 0.03510 153 4XY 0.00251 0.03169 0.05366 0.00174 0.00599 154 4XZ -0.02309 0.02327 0.01670 0.01215 -0.01089 155 4YZ -0.00133 -0.00339 -0.01164 0.00100 0.00765 156 20 O 1S 0.00278 0.00735 0.00879 0.00196 0.00071 157 2S -0.06312 0.10396 -0.23613 -0.01371 -0.07106 158 2PX -0.07297 0.03572 0.14093 0.01843 -0.01271 159 2PY -0.03821 -0.03738 -0.13414 -0.05529 -0.05738 160 2PZ -0.08970 0.03402 -0.15187 0.03039 0.00135 161 3S -0.06813 -0.48367 0.05147 0.05663 0.14652 162 3PX -0.05524 -0.18794 -0.21596 -0.05174 0.01553 163 3PY 0.03882 0.19493 0.30910 0.03297 0.06303 164 3PZ 0.01764 -0.07727 0.07208 -0.00766 0.00455 165 4XX -0.01974 0.01970 -0.09564 -0.02193 -0.01259 166 4YY -0.01106 0.02440 -0.07841 0.01491 -0.01032 167 4ZZ -0.02503 0.04183 -0.04334 -0.00448 -0.03511 168 4XY 0.00246 0.03263 -0.05310 0.00164 0.00602 169 4XZ 0.02308 -0.02354 0.01628 -0.01211 0.01087 170 4YZ -0.00134 -0.00359 0.01156 0.00102 0.00762 171 21 C 1S -0.00001 0.00027 -0.03077 -0.00003 0.00000 172 2S -0.00021 0.00533 -0.61196 -0.00055 0.00014 173 2PX 0.00005 0.00088 -0.09571 -0.00014 0.00030 174 2PY -0.01383 0.04115 0.00034 0.04280 0.01435 175 2PZ 0.00000 0.00108 -0.12217 -0.00016 0.00037 176 3S 0.00053 -0.01209 1.38843 0.00123 -0.00027 177 3PX 0.00012 -0.00439 0.48615 0.00061 -0.00077 178 3PY 0.01030 -0.05901 -0.00045 -0.13198 -0.02057 179 3PZ -0.00009 -0.00253 0.27549 0.00041 -0.00110 180 4XX 0.00003 -0.00034 0.03710 0.00004 -0.00002 181 4YY 0.00001 0.00033 -0.03779 -0.00004 0.00005 182 4ZZ -0.00006 0.00088 -0.09864 -0.00010 -0.00003 183 4XY 0.00143 0.01424 0.00011 0.02100 0.00192 184 4XZ 0.00003 -0.00023 0.02567 0.00002 0.00001 185 4YZ -0.01222 -0.01466 -0.00011 -0.00132 -0.01703 186 22 H 1S 0.00015 -0.00081 0.08914 0.00009 0.00002 187 2S -0.00026 0.00173 -0.20685 -0.00006 -0.00062 188 23 H 1S -0.00014 0.00256 -0.28073 -0.00027 -0.00015 189 2S 0.00006 0.00248 -0.28560 -0.00035 0.00104 96 97 98 99 100 V V V V V Eigenvalues -- 0.88271 0.88865 0.89391 0.89601 0.91400 1 1 C 1S 0.00379 0.03412 0.00140 0.01639 0.00183 2 2S 0.01501 -0.26981 -0.16330 -0.20037 0.00599 3 2PX -0.07863 -0.07750 0.10808 0.11142 -0.05794 4 2PY 0.18905 0.33129 0.14463 0.21814 0.14954 5 2PZ -0.05446 0.16396 -0.00489 0.04539 -0.03777 6 3S -0.27311 0.94499 -0.04333 0.12769 0.17250 7 3PX -0.09393 0.69691 -0.15351 0.04086 -0.00199 8 3PY -0.67914 -0.77865 -0.44327 -0.78985 -0.14601 9 3PZ -0.08844 -0.84657 -0.01021 -0.14531 0.41414 10 4XX -0.01393 -0.03058 -0.02165 -0.05708 -0.01159 11 4YY 0.01316 0.08449 0.00201 0.02845 0.03468 12 4ZZ -0.01541 -0.05192 -0.01510 -0.00009 -0.02608 13 4XY -0.01318 0.03952 0.00693 0.00909 -0.00441 14 4XZ -0.01462 -0.00625 0.03318 0.03912 -0.00481 15 4YZ 0.01744 -0.00318 0.02872 0.01160 0.01653 16 2 H 1S 0.15194 0.31342 0.06942 0.24558 0.17844 17 2S -0.50557 -1.04246 -0.36411 -0.76470 -0.26642 18 3 C 1S -0.01910 0.00695 -0.00361 -0.01163 -0.00195 19 2S 0.30795 -0.04918 -0.28923 0.16252 -0.03655 20 2PX 0.27765 -0.26698 0.13154 0.16027 -0.07973 21 2PY -0.23020 -0.05881 0.00294 -0.19117 0.07140 22 2PZ -0.34130 0.20113 -0.08113 -0.29735 0.02120 23 3S -0.63373 0.07662 0.42881 -0.58729 0.38468 24 3PX -0.70355 0.88881 -0.33483 -0.49913 0.04019 25 3PY 0.52297 0.65263 0.07859 0.61717 -0.23223 26 3PZ 0.75447 -0.69026 0.29274 0.78677 -0.03083 27 4XX -0.00313 -0.01187 -0.00099 0.05371 0.01173 28 4YY 0.01418 -0.00252 -0.04087 -0.01249 0.00022 29 4ZZ 0.03068 0.00088 0.01239 -0.01271 -0.01953 30 4XY 0.07344 -0.03394 0.00512 0.00797 -0.01981 31 4XZ 0.02784 -0.02042 0.01424 0.01371 -0.00163 32 4YZ -0.05101 0.03043 -0.00727 -0.02173 -0.02139 33 4 H 1S -0.34214 0.17296 0.01768 -0.06555 -0.00755 34 2S 1.19553 -0.58630 0.18416 0.90366 -0.14158 35 5 C 1S -0.01909 -0.00697 -0.00361 -0.01164 -0.00194 36 2S 0.30760 0.04927 -0.28925 0.16268 -0.03685 37 2PX 0.27836 0.26734 0.13187 0.16068 -0.07978 38 2PY 0.22986 -0.05854 -0.00312 0.19101 -0.07163 39 2PZ -0.34191 -0.20141 -0.08147 -0.29760 0.02125 40 3S -0.62945 -0.07713 0.43017 -0.58737 0.38508 41 3PX -0.70864 -0.88964 -0.33703 -0.50094 0.04024 42 3PY -0.52078 0.65184 -0.07758 -0.61589 0.23371 43 3PZ 0.75865 0.69091 0.29461 0.78786 -0.03078 44 4XX -0.00302 0.01183 -0.00094 0.05375 0.01172 45 4YY 0.01405 0.00249 -0.04091 -0.01253 0.00019 46 4ZZ 0.03078 -0.00081 0.01243 -0.01267 -0.01953 47 4XY -0.07342 -0.03403 -0.00511 -0.00800 0.01980 48 4XZ 0.02766 0.02045 0.01417 0.01369 -0.00165 49 4YZ 0.05101 0.03047 0.00726 0.02177 0.02140 50 6 H 1S -0.34222 -0.17330 0.01759 -0.06574 -0.00741 51 2S 1.19719 0.58731 0.18500 0.90451 -0.14229 52 7 C 1S 0.00388 -0.03413 0.00144 0.01638 0.00181 53 2S 0.01357 0.26982 -0.16377 -0.20026 0.00607 54 2PX -0.07798 0.07722 0.10834 0.11161 -0.05767 55 2PY -0.19134 0.33112 -0.14556 -0.21812 -0.14933 56 2PZ -0.05505 -0.16396 -0.00515 0.04501 -0.03787 57 3S -0.27266 -0.94506 -0.04321 0.12687 0.17189 58 3PX -0.09776 -0.69674 -0.15495 0.03964 -0.00303 59 3PY 0.68624 -0.77843 0.44608 0.78997 0.14533 60 3PZ -0.08391 0.84609 -0.00818 -0.14315 0.41480 61 4XX -0.01418 0.03055 -0.02176 -0.05707 -0.01159 62 4YY 0.01344 -0.08447 0.00214 0.02844 0.03465 63 4ZZ -0.01562 0.05190 -0.01520 -0.00010 -0.02607 64 4XY 0.01328 0.03956 -0.00692 -0.00905 0.00437 65 4XZ -0.01450 0.00624 0.03322 0.03912 -0.00475 66 4YZ -0.01763 -0.00325 -0.02880 -0.01164 -0.01651 67 8 H 1S 0.15333 -0.31330 0.06999 0.24548 0.17830 68 2S -0.51163 1.04204 -0.36660 -0.76450 -0.26592 69 9 C 1S -0.00127 -0.00952 -0.00884 -0.00172 0.01763 70 2S -0.19782 0.17555 -0.19575 0.04689 0.02537 71 2PX -0.26540 -0.22998 -0.10384 0.47766 0.18873 72 2PY -0.07187 0.18598 -0.03619 -0.04819 -0.05455 73 2PZ -0.14440 0.07268 -0.19673 0.05476 -0.09527 74 3S 0.65754 -0.63295 0.56969 0.28023 -0.33964 75 3PX 0.40621 0.40271 0.06146 -0.92167 -0.32216 76 3PY 0.19964 -0.82818 0.08805 0.12257 -0.16940 77 3PZ 0.20174 0.15282 0.20632 -0.22244 0.13442 78 4XX -0.03970 -0.01100 -0.02265 0.01185 0.03197 79 4YY -0.01420 0.02489 -0.02894 0.01547 -0.03348 80 4ZZ 0.02785 -0.00647 0.00730 -0.01049 0.01732 81 4XY 0.03951 0.01224 0.05382 -0.01457 -0.02339 82 4XZ 0.01038 0.02000 0.00250 -0.07105 -0.00004 83 4YZ 0.03312 -0.01938 0.03774 0.02782 0.03077 84 10 H 1S 0.15345 0.02176 0.21686 -0.17612 0.17875 85 2S -0.60683 0.06607 -0.46240 0.65623 0.02637 86 11 H 1S -0.21763 -0.19737 -0.17239 0.14838 0.25598 87 2S 0.24502 0.65389 0.02077 -0.83450 -0.22587 88 12 C 1S -0.00128 0.00951 -0.00885 -0.00171 0.01763 89 2S -0.19732 -0.17585 -0.19544 0.04680 0.02553 90 2PX -0.26568 0.22915 -0.10413 0.47769 0.18861 91 2PY 0.07218 0.18611 0.03633 0.04845 0.05456 92 2PZ -0.14339 -0.07294 -0.19632 0.05496 -0.09526 93 3S 0.65542 0.63400 0.56861 0.28062 -0.33960 94 3PX 0.40696 -0.40136 0.06239 -0.92117 -0.32224 95 3PY -0.20283 -0.82851 -0.08928 -0.12399 0.16902 96 3PZ 0.19768 -0.15258 0.20441 -0.22381 0.13436 97 4XX -0.03966 0.01092 -0.02263 0.01191 0.03191 98 4YY -0.01417 -0.02490 -0.02891 0.01546 -0.03346 99 4ZZ 0.02780 0.00651 0.00727 -0.01054 0.01739 100 4XY -0.03956 0.01214 -0.05384 0.01460 0.02337 101 4XZ 0.01041 -0.01994 0.00251 -0.07108 0.00001 102 4YZ -0.03296 -0.01942 -0.03768 -0.02780 -0.03079 103 13 H 1S -0.21761 0.19678 -0.17242 0.14869 0.25563 104 2S 0.24626 -0.65285 0.02180 -0.83465 -0.22552 105 14 H 1S 0.15345 -0.02134 0.21691 -0.17617 0.17882 106 2S -0.60561 -0.06763 -0.46203 0.65622 0.02612 107 15 C 1S -0.00818 -0.01513 0.00786 0.00520 -0.00178 108 2S 0.29390 0.27369 -0.58969 -0.05659 0.03148 109 2PX 0.10949 -0.00573 0.01652 -0.12351 -0.08529 110 2PY -0.19422 -0.00834 0.29731 0.13735 0.03211 111 2PZ -0.05831 -0.40088 0.32801 0.01037 0.06990 112 3S -0.60993 -0.44093 1.42291 0.16446 0.05799 113 3PX -0.25961 -0.14617 0.05017 0.24488 0.19493 114 3PY 0.47855 0.32245 -0.77797 -0.32265 -0.02532 115 3PZ 0.34636 1.45305 -0.64778 -0.13477 -0.06173 116 4XX 0.03487 0.02273 -0.02824 -0.01248 -0.00846 117 4YY 0.00188 0.01181 -0.01661 0.02218 0.00342 118 4ZZ 0.01085 0.00570 -0.03692 -0.02833 0.00966 119 4XY 0.04041 0.00382 -0.07091 0.00503 0.00766 120 4XZ -0.01406 -0.00806 -0.02523 0.02407 -0.04074 121 4YZ -0.01999 -0.01358 0.08890 -0.02766 -0.00859 122 16 H 1S -0.08717 -0.16903 0.32103 -0.08605 0.00228 123 2S 0.63821 1.04917 -1.34243 -0.12269 -0.05073 124 17 C 1S -0.00820 0.01513 0.00785 0.00521 -0.00176 125 2S 0.29360 -0.27368 -0.58962 -0.05686 0.03137 126 2PX 0.10931 0.00606 0.01648 -0.12354 -0.08525 127 2PY 0.19379 -0.00827 -0.29752 -0.13753 -0.03192 128 2PZ -0.05838 0.40112 0.32767 0.01065 0.06992 129 3S -0.60913 0.44102 1.42307 0.16506 0.05802 130 3PX -0.25902 0.14548 0.05012 0.24501 0.19508 131 3PY -0.47841 0.32246 0.77776 0.32313 0.02498 132 3PZ 0.34670 -1.45303 -0.64656 -0.13558 -0.06249 133 4XX 0.03485 -0.02268 -0.02826 -0.01252 -0.00847 134 4YY 0.00183 -0.01184 -0.01657 0.02214 0.00343 135 4ZZ 0.01086 -0.00569 -0.03693 -0.02830 0.00965 136 4XY -0.04039 0.00381 0.07091 -0.00504 -0.00765 137 4XZ -0.01408 0.00802 -0.02522 0.02405 -0.04070 138 4YZ 0.02000 -0.01364 -0.08889 0.02764 0.00862 139 18 H 1S -0.08713 0.16924 0.32101 -0.08572 0.00209 140 2S 0.63811 -1.04927 -1.34173 -0.12364 -0.05080 141 19 O 1S 0.00997 0.00551 -0.00920 0.00031 0.00240 142 2S 0.00940 0.02060 -0.00992 -0.00239 -0.14979 143 2PX 0.07584 0.04739 -0.06994 -0.05138 0.05032 144 2PY 0.06808 0.01988 -0.09504 -0.01437 0.25153 145 2PZ -0.01020 0.06519 -0.01303 0.04251 0.01484 146 3S -0.19077 -0.34823 0.06208 0.06858 0.05094 147 3PX -0.19023 -0.18599 0.04379 0.13039 0.05423 148 3PY -0.23730 -0.07258 0.28958 0.10752 -0.39956 149 3PZ -0.02191 -0.12356 0.02545 -0.00738 -0.05410 150 4XX 0.00721 0.01342 -0.03879 0.01984 -0.04648 151 4YY -0.00931 0.00512 0.05283 -0.02057 -0.05059 152 4ZZ 0.01750 -0.00254 -0.02737 0.01804 -0.07026 153 4XY 0.00438 -0.01193 0.00866 -0.01311 0.03206 154 4XZ -0.00907 0.00596 0.03326 -0.01124 0.00850 155 4YZ -0.00161 0.00187 -0.02104 0.03226 -0.02325 156 20 O 1S 0.00998 -0.00550 -0.00919 0.00031 0.00239 157 2S 0.00919 -0.02061 -0.01002 -0.00251 -0.14973 158 2PX 0.07588 -0.04730 -0.06997 -0.05147 0.05032 159 2PY -0.06826 0.01982 0.09494 0.01432 -0.25148 160 2PZ -0.01008 -0.06527 -0.01300 0.04234 0.01488 161 3S -0.19063 0.34795 0.06196 0.06889 0.05108 162 3PX -0.19035 0.18562 0.04369 0.13047 0.05446 163 3PY 0.23751 -0.07234 -0.28941 -0.10750 0.39948 164 3PZ -0.02206 0.12356 0.02533 -0.00718 -0.05421 165 4XX 0.00720 -0.01347 -0.03879 0.01981 -0.04644 166 4YY -0.00934 -0.00508 0.05280 -0.02057 -0.05062 167 4ZZ 0.01737 0.00253 -0.02743 0.01799 -0.07023 168 4XY -0.00435 -0.01195 -0.00865 0.01310 -0.03205 169 4XZ -0.00902 -0.00594 0.03329 -0.01122 0.00848 170 4YZ 0.00163 0.00191 0.02107 -0.03227 0.02325 171 21 C 1S 0.00682 0.00001 -0.00226 -0.01054 0.00337 172 2S -0.04698 -0.00014 -0.11422 0.21258 -1.01523 173 2PX -0.11442 -0.00021 -0.08488 0.10866 0.47469 174 2PY -0.00001 0.03500 0.00000 0.00000 0.00000 175 2PZ -0.17659 -0.00035 -0.15703 0.30201 -0.21224 176 3S 0.16764 0.00033 0.13702 -0.52214 2.70559 177 3PX 0.42669 0.00065 0.14379 -0.28771 -0.61419 178 3PY 0.00007 -0.09227 -0.00002 -0.00003 0.00015 179 3PZ 0.39348 0.00096 0.64125 -0.75682 0.03739 180 4XX 0.00318 0.00001 0.02174 0.01565 -0.03140 181 4YY 0.00444 -0.00004 -0.05993 0.05573 -0.06220 182 4ZZ 0.00935 0.00003 0.00413 -0.06340 0.01717 183 4XY -0.00002 0.01832 0.00000 0.00001 -0.00001 184 4XZ 0.02392 0.00000 -0.04527 0.00593 0.02944 185 4YZ -0.00005 0.02788 -0.00004 0.00003 -0.00002 186 22 H 1S 0.03047 0.00007 0.05136 -0.01875 0.36325 187 2S 0.25980 0.00046 0.16305 -0.22940 -1.29740 188 23 H 1S 0.10965 0.00019 -0.00271 -0.32997 0.43122 189 2S -0.45696 -0.00101 -0.48344 1.08011 -0.98218 101 102 103 104 105 V V V V V Eigenvalues -- 0.92472 0.94192 0.95261 1.00792 1.01483 1 1 C 1S -0.00750 0.00126 0.01237 -0.00956 0.00351 2 2S -0.16264 -0.51790 -0.19451 -0.33128 0.25084 3 2PX 0.23858 -0.01680 -0.20541 0.01755 -0.05674 4 2PY 0.03717 0.43574 0.19251 0.14429 -0.03656 5 2PZ -0.11033 0.02206 0.14877 0.11404 0.01473 6 3S 0.39750 1.35774 1.48331 2.04843 -0.54681 7 3PX -1.12603 0.21916 1.31413 0.89884 0.28725 8 3PY -0.14958 -0.93607 -0.39596 -0.39662 -0.47975 9 3PZ 0.95275 -0.48917 -1.22304 -0.65352 -0.38403 10 4XX -0.03352 -0.05517 -0.00250 0.03713 0.02409 11 4YY -0.03852 0.01047 0.01560 -0.07510 -0.06749 12 4ZZ 0.04669 -0.02537 -0.00252 0.01031 0.07993 13 4XY 0.01989 0.02983 -0.01637 -0.05328 0.02387 14 4XZ 0.04511 0.02721 -0.06767 -0.01860 0.03589 15 4YZ 0.01810 -0.00489 -0.00367 -0.03461 -0.04123 16 2 H 1S -0.02108 0.25951 0.11383 -0.16215 -0.34355 17 2S -0.13232 -1.14522 -0.53618 -0.21362 0.21291 18 3 C 1S 0.00617 0.00451 -0.00414 -0.00930 0.00991 19 2S -0.45049 -0.22679 0.22195 -0.49478 0.26154 20 2PX -0.05523 -0.13618 -0.04209 -0.14445 -0.05817 21 2PY 0.07516 0.07139 -0.19840 -0.29829 -0.14302 22 2PZ 0.05018 0.16676 0.07967 0.15879 -0.06162 23 3S 1.48133 0.01356 -0.57452 2.01469 -0.81188 24 3PX 0.02335 0.24142 0.76306 1.36388 -0.10138 25 3PY -0.67950 0.28366 1.81927 2.52048 0.69174 26 3PZ 0.05858 -0.24940 -0.76213 -1.28726 0.35561 27 4XX -0.00794 -0.00737 -0.00478 -0.01816 0.04247 28 4YY -0.02165 -0.04739 0.03005 0.03025 -0.00453 29 4ZZ -0.02793 0.02218 -0.00781 -0.06371 0.00178 30 4XY 0.01158 -0.03731 -0.01099 0.01195 0.01894 31 4XZ -0.00538 -0.04250 0.02157 0.06780 -0.02209 32 4YZ -0.00667 0.07850 0.00870 -0.03070 0.04127 33 4 H 1S 0.06237 0.32964 -0.09192 -0.25066 0.24122 34 2S -0.52993 -0.54409 0.22326 -0.28143 0.35547 35 5 C 1S -0.00617 0.00451 0.00415 0.00929 0.00993 36 2S 0.45043 -0.22681 -0.22209 0.49443 0.26247 37 2PX 0.05512 -0.13623 0.04210 0.14458 -0.05784 38 2PY 0.07513 -0.07132 -0.19836 -0.29852 0.14230 39 2PZ -0.05011 0.16680 -0.07963 -0.15862 -0.06206 40 3S -1.48110 0.01401 0.57406 -2.01358 -0.81570 41 3PX -0.02314 0.24194 -0.76323 -1.36389 -0.10517 42 3PY -0.67950 -0.28474 1.81847 2.52124 -0.68501 43 3PZ -0.05873 -0.25002 0.76239 1.28673 0.35931 44 4XX 0.00795 -0.00738 0.00478 0.01804 0.04252 45 4YY 0.02164 -0.04734 -0.03009 -0.03020 -0.00460 46 4ZZ 0.02794 0.02213 0.00784 0.06370 0.00191 47 4XY 0.01159 0.03734 -0.01096 0.01203 -0.01889 48 4XZ 0.00536 -0.04246 -0.02160 -0.06776 -0.02226 49 4YZ -0.00669 -0.07852 0.00861 -0.03065 -0.04135 50 6 H 1S -0.06228 0.32956 0.09219 0.25015 0.24188 51 2S 0.52975 -0.54408 -0.22352 0.28059 0.35615 52 7 C 1S 0.00751 0.00127 -0.01237 0.00956 0.00355 53 2S 0.16244 -0.51820 0.19410 0.33052 0.25203 54 2PX -0.23856 -0.01680 0.20539 -0.01749 -0.05678 55 2PY 0.03684 -0.43598 0.19236 0.14414 0.03701 56 2PZ 0.11035 0.02195 -0.14868 -0.11399 0.01440 57 3S -0.39713 1.35937 -1.48221 -2.04626 -0.55357 58 3PX 1.12594 0.21960 -1.31381 -0.89924 0.28441 59 3PY -0.14846 0.93682 -0.39594 -0.39784 0.47882 60 3PZ -0.95290 -0.48896 1.22225 0.65402 -0.38156 61 4XX 0.03349 -0.05516 0.00247 -0.03714 0.02400 62 4YY 0.03852 0.01045 -0.01561 0.07522 -0.06730 63 4ZZ -0.04669 -0.02535 0.00252 -0.01052 0.07994 64 4XY 0.01989 -0.02983 -0.01641 -0.05325 -0.02400 65 4XZ -0.04511 0.02717 0.06769 0.01849 0.03594 66 4YZ 0.01811 0.00490 -0.00365 -0.03466 0.04110 67 8 H 1S 0.02123 0.25960 -0.11373 0.16295 -0.34306 68 2S 0.13163 -1.14584 0.53549 0.21288 0.21379 69 9 C 1S 0.01914 -0.01815 0.02019 -0.00041 -0.00229 70 2S -0.42436 -0.10577 -0.49826 0.29374 -0.58080 71 2PX -0.12157 -0.03596 0.11881 -0.09829 0.02728 72 2PY -0.22552 -0.03101 -0.09248 0.06900 -0.12598 73 2PZ -0.17053 -0.11617 -0.18767 0.11386 -0.32232 74 3S 1.16211 0.53510 0.65692 -1.14868 1.76953 75 3PX 0.16419 0.16982 0.03550 0.75380 -0.05944 76 3PY 1.11799 0.10335 -0.31716 0.10982 0.30931 77 3PZ -0.22423 0.01750 0.65901 -0.09687 0.24651 78 4XX -0.01762 -0.02476 0.06828 0.02817 0.06589 79 4YY -0.03720 0.00608 -0.02727 0.01380 -0.07493 80 4ZZ 0.02077 -0.01747 -0.09618 -0.01209 -0.07241 81 4XY 0.01504 0.05048 -0.02373 -0.02127 0.00483 82 4XZ 0.07143 -0.00074 -0.01694 -0.06508 -0.00756 83 4YZ 0.01132 -0.00863 0.01031 -0.00016 -0.03743 84 10 H 1S 0.46208 -0.06805 0.20216 -0.29107 0.18453 85 2S -0.94280 -0.21110 -0.43711 0.29677 -0.59285 86 11 H 1S 0.04978 -0.18995 0.52624 0.06942 0.33058 87 2S -0.21007 0.21148 -0.76851 0.42278 -0.92040 88 12 C 1S -0.01914 -0.01813 -0.02022 0.00041 -0.00230 89 2S 0.42428 -0.10623 0.49833 -0.29208 -0.58146 90 2PX 0.12147 -0.03606 -0.11891 0.09815 0.02757 91 2PY -0.22557 0.03123 -0.09257 0.06864 0.12628 92 2PZ 0.17040 -0.11632 0.18766 -0.11301 -0.32251 93 3S -1.16201 0.53576 -0.65650 1.14394 1.77236 94 3PX -0.16399 0.17054 -0.03517 -0.75341 -0.06135 95 3PY 1.11809 -0.10404 -0.31720 0.11070 -0.30941 96 3PZ 0.22445 0.01758 -0.65920 0.09609 0.24655 97 4XX 0.01766 -0.02470 -0.06834 -0.02836 0.06581 98 4YY 0.03717 0.00604 0.02732 -0.01359 -0.07498 99 4ZZ -0.02081 -0.01753 0.09618 0.01230 -0.07237 100 4XY 0.01502 -0.05046 -0.02379 -0.02128 -0.00490 101 4XZ -0.07141 -0.00076 0.01688 0.06510 -0.00737 102 4YZ 0.01135 0.00863 0.01031 -0.00023 0.03743 103 13 H 1S -0.04980 -0.18950 -0.52658 -0.07036 0.33033 104 2S 0.21036 0.21112 0.76880 -0.42002 -0.92145 105 14 H 1S -0.46202 -0.06777 -0.20246 0.29052 0.18514 106 2S 0.94262 -0.21185 0.43718 -0.29522 -0.59351 107 15 C 1S 0.00866 -0.01070 -0.00788 -0.01379 -0.01225 108 2S 0.00229 0.16328 0.06015 -0.60763 -0.11647 109 2PX 0.01676 0.14041 0.00381 -0.05385 -0.01331 110 2PY -0.28258 -0.13145 0.08257 -0.01331 -0.08137 111 2PZ -0.04535 -0.23309 -0.03958 0.13511 -0.05710 112 3S -0.25831 -0.58821 0.24581 1.57577 0.12687 113 3PX 0.31878 -0.19504 -0.34662 0.31990 0.24195 114 3PY 0.56663 0.37717 0.00147 0.10674 0.03922 115 3PZ -0.81201 0.44187 0.62989 -0.84046 0.07346 116 4XX 0.01282 0.02872 0.01729 -0.02166 0.02991 117 4YY 0.02514 0.00514 0.00029 -0.01317 -0.02361 118 4ZZ -0.04102 -0.02354 0.00778 -0.05411 -0.02320 119 4XY 0.00151 -0.05139 0.00236 0.00022 -0.06843 120 4XZ 0.04876 0.01067 -0.02581 0.04874 -0.03798 121 4YZ -0.04609 -0.06057 0.01967 -0.01514 -0.02839 122 16 H 1S -0.42361 -0.22744 0.12582 -0.14568 -0.16368 123 2S 0.26709 0.72057 0.14940 -0.66827 0.10413 124 17 C 1S -0.00867 -0.01070 0.00788 0.01382 -0.01222 125 2S -0.00227 0.16333 -0.06005 0.60795 -0.11495 126 2PX -0.01672 0.14038 -0.00369 0.05383 -0.01332 127 2PY -0.28251 0.13145 0.08264 -0.01344 0.08150 128 2PZ 0.04521 -0.23314 0.03939 -0.13503 -0.05729 129 3S 0.25823 -0.58865 -0.24634 -1.57612 0.12370 130 3PX -0.31881 -0.19485 0.34641 -0.32042 0.24174 131 3PY 0.56620 -0.37693 0.00140 0.10658 -0.03977 132 3PZ 0.81242 0.44179 -0.62964 0.84045 0.07523 133 4XX -0.01281 0.02873 -0.01727 0.02158 0.02999 134 4YY -0.02515 0.00510 -0.00028 0.01322 -0.02358 135 4ZZ 0.04102 -0.02353 -0.00779 0.05420 -0.02305 136 4XY 0.00152 0.05138 0.00241 0.00007 0.06845 137 4XZ -0.04877 0.01069 0.02585 -0.04866 -0.03815 138 4YZ -0.04610 0.06059 0.01972 -0.01520 0.02836 139 18 H 1S 0.42355 -0.22760 -0.12599 0.14606 -0.16338 140 2S -0.26682 0.72068 -0.14889 0.66813 0.10590 141 19 O 1S -0.00970 -0.00106 0.00843 -0.00956 -0.00034 142 2S -0.03833 0.00714 -0.09363 -0.10157 -0.08300 143 2PX -0.10052 -0.03368 -0.06468 -0.07420 0.01558 144 2PY 0.02804 -0.09744 0.05980 -0.03027 -0.11211 145 2PZ 0.02701 0.06127 -0.20988 0.01675 0.03507 146 3S 0.46624 -0.02275 -0.05922 0.29014 -0.02155 147 3PX 0.38611 0.02283 -0.15063 0.20257 -0.00815 148 3PY 0.00656 0.08314 -0.12038 0.07940 0.03064 149 3PZ -0.16187 -0.11026 0.32910 0.00266 -0.10724 150 4XX -0.00497 0.00465 -0.06647 -0.04928 -0.03776 151 4YY -0.04266 0.01503 -0.00036 -0.06185 -0.00956 152 4ZZ 0.01300 0.00063 0.00534 0.00550 -0.02513 153 4XY -0.02533 -0.00491 0.00482 -0.01363 0.05387 154 4XZ -0.02078 0.02553 0.01323 0.02327 0.00915 155 4YZ -0.00352 -0.01571 0.00361 0.01671 -0.00592 156 20 O 1S 0.00970 -0.00106 -0.00843 0.00957 -0.00032 157 2S 0.03830 0.00707 0.09370 0.10180 -0.08311 158 2PX 0.10060 -0.03383 0.06454 0.07420 0.01591 159 2PY 0.02799 0.09743 0.05995 -0.03052 0.11166 160 2PZ -0.02696 0.06114 0.20989 -0.01693 0.03504 161 3S -0.46633 -0.02255 0.05926 -0.29014 -0.02125 162 3PX -0.38619 0.02300 0.15071 -0.20264 -0.00888 163 3PY 0.00669 -0.08318 -0.12064 0.07943 -0.02983 164 3PZ 0.16178 -0.11013 -0.32916 -0.00226 -0.10723 165 4XX 0.00495 0.00460 0.06650 0.04941 -0.03775 166 4YY 0.04266 0.01501 0.00040 0.06186 -0.00946 167 4ZZ -0.01302 0.00066 -0.00529 -0.00544 -0.02529 168 4XY -0.02536 0.00491 0.00486 -0.01350 -0.05392 169 4XZ 0.02078 0.02553 -0.01321 -0.02329 0.00906 170 4YZ -0.00348 0.01571 0.00361 0.01672 0.00598 171 21 C 1S 0.00000 0.00457 0.00001 0.00004 -0.03032 172 2S -0.00029 -0.10905 0.00032 0.00047 -0.43770 173 2PX 0.00008 -0.07335 -0.00017 0.00019 -0.13492 174 2PY 0.02954 0.00000 -0.10235 0.03289 0.00013 175 2PZ -0.00008 -0.02541 0.00005 -0.00012 0.08061 176 3S 0.00074 0.16549 -0.00092 -0.00080 0.76991 177 3PX -0.00014 -0.10444 0.00012 -0.00050 0.32819 178 3PY -0.21942 -0.00008 0.43406 -0.08749 -0.00037 179 3PZ 0.00011 0.25811 0.00008 0.00013 -0.10725 180 4XX -0.00001 -0.00064 0.00002 -0.00007 0.04201 181 4YY -0.00003 -0.04731 0.00002 0.00005 -0.04975 182 4ZZ 0.00002 0.03772 0.00000 0.00011 -0.07620 183 4XY -0.02732 0.00002 -0.05051 -0.02424 -0.00001 184 4XZ 0.00000 -0.02598 -0.00002 0.00005 -0.02780 185 4YZ -0.00001 0.00001 -0.04487 -0.02229 -0.00005 186 22 H 1S 0.00005 -0.08669 -0.00013 0.00001 -0.02807 187 2S -0.00027 0.03268 0.00042 0.00007 -0.10388 188 23 H 1S 0.00015 0.10763 -0.00010 0.00047 -0.30416 189 2S -0.00044 -0.38760 0.00025 -0.00061 0.33608 106 107 108 109 110 V V V V V Eigenvalues -- 1.02675 1.03801 1.09771 1.09869 1.12962 1 1 C 1S 0.00967 -0.00001 -0.00889 -0.02525 0.00020 2 2S 0.25234 0.19078 0.07128 -0.69179 0.33438 3 2PX 0.06481 0.11078 -0.14783 -0.02837 0.03312 4 2PY -0.03104 0.11273 -0.05901 -0.03314 -0.08736 5 2PZ 0.04167 -0.08395 -0.02493 0.08125 -0.12462 6 3S -0.81477 -0.93993 -0.14993 2.06455 -1.52992 7 3PX -0.13370 -0.81243 0.09409 0.34492 -0.46094 8 3PY -0.06203 0.22282 0.44500 0.47642 0.02826 9 3PZ -0.03721 0.69237 0.04529 -0.48802 0.47506 10 4XX -0.01262 -0.02387 -0.03287 0.00821 -0.00664 11 4YY 0.02087 0.06627 0.03512 -0.01171 0.02773 12 4ZZ 0.01891 -0.03845 0.00223 -0.07876 0.00226 13 4XY -0.01274 -0.00249 0.01156 -0.00436 0.05877 14 4XZ -0.00744 -0.00382 0.02676 0.00298 0.03553 15 4YZ 0.00142 0.01893 0.00613 0.00701 0.06124 16 2 H 1S 0.03705 0.25888 0.07158 -0.02349 -0.03688 17 2S 0.14847 -0.01217 0.19408 -0.16809 0.27646 18 3 C 1S -0.00252 -0.01825 -0.00216 0.00478 -0.02513 19 2S -0.25370 -0.55104 -0.03922 0.21321 -0.61952 20 2PX -0.02863 -0.00325 0.02090 -0.01925 0.07836 21 2PY -0.04444 0.22361 -0.01003 -0.01903 0.03560 22 2PZ 0.00534 0.09203 -0.03028 0.09967 -0.03481 23 3S 1.03153 2.14100 -0.24113 -1.17824 1.78012 24 3PX 0.13531 -0.12379 -0.17100 0.46341 -0.46089 25 3PY 0.16604 -1.03407 -0.23911 0.20780 -0.44277 26 3PZ 0.03755 -0.06525 0.17468 -0.52466 0.23058 27 4XX 0.00751 -0.01706 0.00173 -0.03492 -0.08153 28 4YY 0.00102 -0.03957 -0.00262 0.04507 -0.07597 29 4ZZ -0.03323 -0.02895 -0.00503 0.02093 0.08014 30 4XY 0.00576 0.02096 -0.00817 -0.04717 0.05967 31 4XZ 0.00889 0.01809 0.00297 -0.00899 0.02470 32 4YZ -0.01000 -0.05491 0.01406 0.02228 0.00828 33 4 H 1S -0.07010 -0.13338 0.03851 -0.05267 -0.05327 34 2S -0.12670 -0.54938 0.04582 -0.14526 -0.17944 35 5 C 1S 0.00253 -0.01825 0.00203 0.00483 -0.02512 36 2S 0.25424 -0.55066 0.03346 0.21404 -0.61934 37 2PX 0.02859 -0.00317 -0.02036 -0.01986 0.07837 38 2PY -0.04419 -0.22370 -0.01051 0.01876 -0.03558 39 2PZ -0.00547 0.09196 0.02760 0.10052 -0.03486 40 3S -1.03332 2.13943 0.27237 -1.17050 1.77931 41 3PX -0.13535 -0.12433 0.15853 0.46829 -0.46149 42 3PY 0.16499 1.03471 -0.23362 -0.21464 0.44282 43 3PZ -0.03722 -0.06463 -0.16057 -0.52953 0.23137 44 4XX -0.00748 -0.01705 -0.00078 -0.03498 -0.08152 45 4YY -0.00099 -0.03960 0.00139 0.04515 -0.07599 46 4ZZ 0.03325 -0.02889 0.00448 0.02103 0.08017 47 4XY 0.00576 -0.02095 -0.00945 0.04690 -0.05965 48 4XZ -0.00891 0.01805 -0.00274 -0.00904 0.02467 49 4YZ -0.01005 0.05488 0.01461 -0.02189 -0.00834 50 6 H 1S 0.07031 -0.13320 -0.03700 -0.05376 -0.05299 51 2S 0.12731 -0.54919 -0.04188 -0.14658 -0.17916 52 7 C 1S -0.00967 -0.00001 0.00956 -0.02502 0.00021 53 2S -0.25222 0.19071 -0.05268 -0.69343 0.33422 54 2PX -0.06493 0.11075 0.14856 -0.02444 0.03308 55 2PY -0.03088 -0.11258 -0.05984 0.03146 0.08759 56 2PZ -0.04164 -0.08397 0.02276 0.08192 -0.12453 57 3S 0.81481 -0.94023 0.09424 2.06807 -1.53021 58 3PX 0.13439 -0.81252 -0.10314 0.34241 -0.46105 59 3PY -0.06173 -0.22342 0.45771 -0.46375 -0.02887 60 3PZ 0.03670 0.69196 -0.03246 -0.48963 0.47478 61 4XX 0.01268 -0.02388 0.03261 0.00910 -0.00659 62 4YY -0.02096 0.06628 -0.03480 -0.01268 0.02772 63 4ZZ -0.01883 -0.03846 -0.00010 -0.07877 0.00222 64 4XY -0.01275 0.00244 0.01144 0.00467 -0.05880 65 4XZ 0.00747 -0.00380 -0.02682 0.00226 0.03559 66 4YZ 0.00146 -0.01889 0.00629 -0.00684 -0.06122 67 8 H 1S -0.03751 0.25890 -0.07103 -0.02555 -0.03687 68 2S -0.14810 -0.01207 -0.18943 -0.17332 0.27678 69 9 C 1S -0.01045 0.00336 -0.00607 -0.01400 -0.01360 70 2S -0.05221 -0.16665 0.21959 -0.41206 -0.23924 71 2PX -0.06275 -0.03559 -0.02245 -0.04206 0.15508 72 2PY -0.02174 -0.20280 0.11181 -0.07660 0.02310 73 2PZ -0.04063 -0.16963 0.12068 -0.07642 0.05603 74 3S 0.10820 0.46007 -0.38736 0.93578 0.43282 75 3PX 0.05231 0.07055 0.28870 -0.05806 -0.39280 76 3PY -0.02557 0.35207 -0.56965 0.33323 0.04041 77 3PZ 0.29370 0.55916 -0.36913 0.43820 -0.11311 78 4XX -0.00891 -0.01531 -0.02480 -0.02091 -0.01852 79 4YY 0.00112 -0.00581 0.01950 -0.03713 -0.02875 80 4ZZ -0.01479 0.00187 0.02678 -0.00933 -0.00062 81 4XY 0.00779 -0.12285 0.00940 -0.08735 0.01227 82 4XZ 0.00996 -0.01844 0.03836 -0.01160 -0.04566 83 4YZ 0.00347 0.02608 -0.02109 0.05175 0.03244 84 10 H 1S -0.02268 -0.01681 -0.08668 -0.08785 -0.01248 85 2S -0.19141 -0.32441 0.28966 -0.34821 0.14936 86 11 H 1S -0.08329 0.31202 -0.25246 0.14844 -0.06050 87 2S 0.00097 -0.82962 0.86008 -0.71684 -0.37274 88 12 C 1S 0.01045 0.00337 0.00642 -0.01383 -0.01357 89 2S 0.05181 -0.16660 -0.20888 -0.41765 -0.23884 90 2PX 0.06280 -0.03546 0.02363 -0.04139 0.15512 91 2PY -0.02177 0.20281 0.10980 0.07954 -0.02310 92 2PZ 0.04047 -0.16955 -0.11866 -0.07956 0.05616 93 3S -0.10709 0.45994 0.36355 0.94511 0.43149 94 3PX -0.05244 0.06974 -0.28727 -0.06619 -0.39301 95 3PY -0.02551 -0.35183 -0.56098 -0.34861 -0.04032 96 3PZ -0.29374 0.55914 0.35713 0.44800 -0.11381 97 4XX 0.00899 -0.01533 0.02535 -0.02024 -0.01850 98 4YY -0.00119 -0.00579 -0.01853 -0.03761 -0.02872 99 4ZZ 0.01473 0.00189 -0.02656 -0.01005 -0.00061 100 4XY 0.00776 0.12286 0.00710 0.08759 -0.01225 101 4XZ -0.00995 -0.01837 -0.03805 -0.01257 -0.04563 102 4YZ 0.00351 -0.02608 -0.01969 -0.05231 -0.03244 103 13 H 1S 0.08347 0.31195 0.24849 0.15503 -0.06045 104 2S -0.00145 -0.82977 -0.84133 -0.73964 -0.37241 105 14 H 1S 0.02284 -0.01668 0.08896 -0.08551 -0.01227 106 2S 0.19112 -0.32426 -0.28043 -0.35576 0.14975 107 15 C 1S 0.00361 0.00033 0.00361 0.01958 0.01892 108 2S -0.10583 0.09520 0.19237 -0.00361 0.48798 109 2PX -0.16809 0.11444 0.06006 -0.06319 0.18714 110 2PY -0.16034 -0.06718 -0.02137 0.03399 0.08146 111 2PZ 0.06635 -0.07286 0.10899 0.04963 0.08368 112 3S 1.31888 -0.28674 -0.64266 0.20702 -0.29689 113 3PX 0.37023 -0.20019 -0.08683 -0.35565 -0.26336 114 3PY 1.15698 0.21336 -0.41365 -0.08149 -0.44190 115 3PZ 0.13386 0.17358 -0.75886 -0.04805 -0.20547 116 4XX 0.01154 0.01599 0.05559 0.00429 0.00671 117 4YY 0.01442 -0.00495 -0.00249 -0.01670 0.07662 118 4ZZ 0.01796 0.00356 -0.02916 0.06915 -0.02233 119 4XY -0.00654 0.03961 0.01937 -0.01093 0.04604 120 4XZ -0.07723 -0.00550 -0.00835 -0.00506 -0.00675 121 4YZ 0.00809 0.07074 -0.00217 -0.08429 -0.04834 122 16 H 1S 0.08359 0.05155 -0.19762 0.10250 -0.07571 123 2S 0.11925 0.16716 -0.16619 -0.11037 -0.01998 124 17 C 1S -0.00362 0.00034 -0.00413 0.01948 0.01892 125 2S 0.10566 0.09531 -0.19230 -0.00867 0.48756 126 2PX 0.16800 0.11452 -0.05837 -0.06475 0.18707 127 2PY -0.16032 0.06719 -0.02045 -0.03454 -0.08136 128 2PZ -0.06636 -0.07293 -0.11032 0.04670 0.08364 129 3S -1.31856 -0.28743 0.63715 0.22404 -0.29506 130 3PX -0.36993 -0.20064 0.09637 -0.35336 -0.26382 131 3PY 1.15714 -0.21303 -0.41574 0.07017 0.44106 132 3PZ -0.13369 0.17381 0.75980 -0.02786 -0.20498 133 4XX -0.01154 0.01599 -0.05573 0.00279 0.00673 134 4YY -0.01444 -0.00492 0.00294 -0.01666 0.07660 135 4ZZ -0.01796 0.00353 0.02733 0.06995 -0.02231 136 4XY -0.00648 -0.03962 0.01907 0.01145 -0.04603 137 4XZ 0.07720 -0.00548 0.00846 -0.00485 -0.00676 138 4YZ 0.00816 -0.07075 -0.00441 0.08417 0.04837 139 18 H 1S -0.08371 0.05160 0.19478 0.10776 -0.07563 140 2S -0.11935 0.16727 0.16897 -0.10589 -0.01986 141 19 O 1S -0.00652 -0.00106 0.00597 0.00877 0.01163 142 2S -0.48355 -0.11541 0.03121 0.12139 0.20600 143 2PX 0.26323 0.04808 -0.29716 0.00068 0.07074 144 2PY 0.38972 0.09172 0.25051 0.07166 -0.24285 145 2PZ 0.03704 0.03869 -0.36088 -0.47882 -0.13598 146 3S 1.15113 0.13528 -0.00868 -0.39661 -0.65535 147 3PX -0.48002 -0.17563 0.53466 -0.10197 -0.04559 148 3PY -0.65269 -0.21344 -0.37472 -0.15084 0.36218 149 3PZ 0.00563 -0.11563 0.51531 0.85295 0.24041 150 4XX -0.14241 -0.08221 -0.09126 0.08332 0.14087 151 4YY -0.09060 -0.02103 0.06415 -0.00948 -0.07322 152 4ZZ -0.21466 -0.01055 0.05598 0.01792 0.13469 153 4XY 0.02097 0.03931 0.02223 -0.02714 -0.02813 154 4XZ 0.00785 -0.00222 -0.08476 -0.02619 -0.01053 155 4YZ -0.01547 0.05172 0.00430 -0.02500 -0.00440 156 20 O 1S 0.00652 -0.00105 -0.00620 0.00861 0.01163 157 2S 0.48353 -0.11514 -0.03447 0.12038 0.20593 158 2PX -0.26329 0.04799 0.29695 0.00861 0.07080 159 2PY 0.38982 -0.09152 0.25225 -0.06489 0.24291 160 2PZ -0.03700 0.03862 0.37353 -0.46913 -0.13607 161 3S -1.15119 0.13450 0.01918 -0.39590 -0.65546 162 3PX 0.48018 -0.17556 -0.53157 -0.11621 -0.04588 163 3PY -0.65277 0.21314 -0.37844 0.14065 -0.36223 164 3PZ -0.00571 -0.11553 -0.53785 0.83903 0.24070 165 4XX 0.14242 -0.08211 0.08902 0.08569 0.14083 166 4YY 0.09061 -0.02095 -0.06388 -0.01123 -0.07326 167 4ZZ 0.21463 -0.01045 -0.05647 0.01638 0.13470 168 4XY 0.02096 -0.03930 0.02148 0.02773 0.02813 169 4XZ -0.00784 -0.00223 0.08545 -0.02390 -0.01049 170 4YZ -0.01547 -0.05172 0.00362 0.02511 0.00435 171 21 C 1S -0.00001 0.00954 -0.00008 0.00548 -0.05021 172 2S -0.00023 0.43195 -0.00370 0.27041 -0.79118 173 2PX 0.00003 -0.32616 0.00056 -0.04189 0.05848 174 2PY -0.24167 -0.00006 0.00028 0.00002 0.00000 175 2PZ 0.00001 0.02860 0.00013 -0.00721 0.00437 176 3S 0.00051 -1.30840 0.01353 -1.00048 1.58613 177 3PX -0.00011 0.97059 -0.00172 0.12676 -0.13927 178 3PY 0.77916 0.00014 -0.23877 -0.00322 -0.00017 179 3PZ -0.00005 0.07010 0.00693 -0.53565 -0.08572 180 4XX -0.00002 0.13080 0.00094 -0.07004 -0.13479 181 4YY -0.00004 0.04455 -0.00074 0.05711 0.00494 182 4ZZ 0.00002 -0.10768 -0.00010 0.00516 -0.05264 183 4XY -0.00884 0.00000 -0.14834 -0.00199 -0.00003 184 4XZ -0.00001 -0.01370 -0.00134 0.09871 0.16503 185 4YZ 0.09562 0.00005 -0.10776 -0.00143 0.00003 186 22 H 1S -0.00003 0.09523 -0.00043 0.03020 -0.05504 187 2S -0.00019 0.70893 -0.00283 0.20572 -0.49039 188 23 H 1S -0.00003 -0.41333 -0.00041 0.02809 -0.08662 189 2S 0.00001 0.92525 -0.00899 0.68738 -0.27913 111 112 113 114 115 V V V V V Eigenvalues -- 1.18744 1.18867 1.22327 1.23678 1.28180 1 1 C 1S 0.00598 -0.00208 0.01363 0.00716 0.01127 2 2S -0.45901 0.31967 0.21583 0.24542 0.09999 3 2PX 0.02353 -0.17673 -0.04050 -0.03127 -0.11842 4 2PY -0.25124 -0.09500 -0.28618 0.08144 -0.06303 5 2PZ 0.13484 -0.05461 -0.06656 0.05222 0.03496 6 3S -0.21175 -0.62245 -1.31657 -1.25089 -0.11413 7 3PX -0.08012 0.25393 0.36096 0.23649 0.59845 8 3PY 0.32523 0.13105 1.82101 -0.80019 0.76938 9 3PZ -0.51557 0.03780 0.41605 -0.98410 -0.52884 10 4XX 0.03780 -0.02986 0.00429 -0.09296 0.02248 11 4YY -0.05098 0.03904 0.13050 0.01968 0.06626 12 4ZZ -0.01815 0.01889 -0.09107 0.05604 -0.09803 13 4XY 0.03603 0.01589 -0.02952 0.00944 0.02090 14 4XZ 0.11330 0.01824 0.02166 -0.05196 -0.07402 15 4YZ 0.03771 0.07129 0.06418 -0.00286 0.04282 16 2 H 1S 0.05837 -0.02882 0.55266 -0.08692 0.21656 17 2S 0.19066 0.25882 0.81241 -0.22082 0.25437 18 3 C 1S -0.00984 -0.01190 -0.02476 -0.00307 0.02128 19 2S -0.18199 -0.24981 -0.69816 -0.18718 0.48608 20 2PX 0.01553 0.08416 0.08230 -0.00193 -0.10706 21 2PY -0.06172 -0.07290 -0.07267 -0.02851 0.09108 22 2PZ -0.02835 -0.06563 -0.04319 0.04887 0.08922 23 3S 0.47163 0.25994 1.01565 0.13511 -1.07601 24 3PX -0.69116 -0.29114 -0.14497 -0.12163 0.62765 25 3PY 0.52643 0.16529 -0.57991 0.32585 -0.22345 26 3PZ 0.87078 0.19323 -0.38673 0.12173 -0.52621 27 4XX -0.05863 -0.02414 -0.07180 -0.00419 -0.03014 28 4YY 0.00252 -0.04587 -0.01767 -0.01931 0.09599 29 4ZZ 0.05265 0.04843 0.01051 0.00725 -0.03355 30 4XY -0.03025 0.01024 -0.00239 0.14328 -0.04433 31 4XZ 0.02232 0.02248 0.08605 -0.02052 -0.05421 32 4YZ 0.04208 0.03642 -0.01075 0.15699 -0.05156 33 4 H 1S 0.32947 0.03332 -0.24679 0.10323 -0.09714 34 2S 0.34752 0.11708 -0.31244 -0.04100 -0.23201 35 5 C 1S 0.01029 -0.01146 0.02479 -0.00306 0.02114 36 2S 0.19142 -0.24106 0.69892 -0.18695 0.48345 37 2PX -0.01881 0.08327 -0.08250 -0.00189 -0.10709 38 2PY -0.06465 0.07026 -0.07283 0.02851 -0.09130 39 2PZ 0.03088 -0.06427 0.04331 0.04880 0.08992 40 3S -0.48019 0.23860 -1.01709 0.13338 -1.06629 41 3PX 0.70181 -0.26244 0.14585 -0.12165 0.63029 42 3PY 0.53354 -0.14523 -0.57992 -0.32521 0.22422 43 3PZ -0.87755 0.15816 0.38609 0.12175 -0.53171 44 4XX 0.05953 -0.02167 0.07182 -0.00413 -0.03041 45 4YY -0.00076 -0.04589 0.01780 -0.01929 0.09594 46 4ZZ -0.05449 0.04627 -0.01060 0.00719 -0.03356 47 4XY -0.02983 -0.01145 -0.00233 -0.14324 0.04400 48 4XZ -0.02317 0.02143 -0.08613 -0.02052 -0.05395 49 4YZ 0.04354 -0.03474 -0.01069 -0.15701 0.05171 50 6 H 1S -0.33067 0.02043 0.24679 0.10329 -0.09922 51 2S -0.35204 0.10335 0.31225 -0.04085 -0.23544 52 7 C 1S -0.00590 -0.00233 -0.01362 0.00716 0.01122 53 2S 0.44604 0.33750 -0.21619 0.24538 0.10063 54 2PX -0.01639 -0.17755 0.04071 -0.03132 -0.11819 55 2PY -0.25473 0.08437 -0.28635 -0.08133 0.06245 56 2PZ -0.13277 -0.05980 0.06663 0.05219 0.03446 57 3S 0.23577 -0.61086 1.31721 -1.25066 -0.11295 58 3PX 0.06940 0.25674 -0.36100 0.23662 0.59608 59 3PY 0.32961 -0.11507 1.82118 0.79952 -0.76889 60 3PZ 0.51470 0.05721 -0.41632 -0.98374 -0.52756 61 4XX -0.03662 -0.03132 -0.00419 -0.09296 0.02245 62 4YY 0.04941 0.04089 -0.13058 0.01976 0.06613 63 4ZZ 0.01742 0.01968 0.09103 0.05598 -0.09796 64 4XY 0.03660 -0.01451 -0.02947 -0.00939 -0.02111 65 4XZ -0.11388 0.01363 -0.02177 -0.05199 -0.07408 66 4YZ 0.04050 -0.06962 0.06421 0.00287 -0.04307 67 8 H 1S -0.05707 -0.03204 -0.55254 -0.08672 0.21647 68 2S -0.20056 0.24967 -0.81271 -0.22051 0.25412 69 9 C 1S 0.03494 0.00777 -0.00850 -0.04778 -0.03658 70 2S 0.45164 0.23417 -0.03859 -0.92898 -0.49200 71 2PX 0.06596 0.05093 0.01404 0.10675 -0.20100 72 2PY -0.01804 -0.02737 -0.03884 0.05307 -0.01831 73 2PZ 0.11963 -0.05582 -0.14620 0.06668 0.04085 74 3S -1.61675 -0.15082 1.17854 2.57540 1.41449 75 3PX -0.34121 -0.29285 0.31860 -0.04924 0.32353 76 3PY -0.16868 0.08055 -1.03942 0.36526 0.50595 77 3PZ -0.56685 0.03975 0.27999 -0.64316 -0.03113 78 4XX -0.00284 -0.01755 0.01008 -0.01363 -0.09760 79 4YY 0.01654 -0.00201 0.02362 -0.08398 -0.04168 80 4ZZ 0.04995 0.05187 -0.02994 -0.04548 0.05059 81 4XY -0.00171 0.02091 0.01083 0.06074 -0.11267 82 4XZ 0.05779 -0.07903 -0.01935 -0.00214 -0.01102 83 4YZ -0.02922 0.04381 -0.07342 -0.09481 0.05735 84 10 H 1S 0.26827 0.05658 -0.03842 -0.15750 -0.17469 85 2S 0.43633 0.15062 -0.08696 -0.14226 -0.38584 86 11 H 1S 0.06348 0.04521 0.11279 -0.15510 -0.16357 87 2S 0.40543 -0.25321 0.06063 -0.36051 -0.07292 88 12 C 1S -0.03522 0.00639 0.00846 -0.04781 -0.03656 89 2S -0.46051 0.21609 0.03778 -0.92930 -0.49125 90 2PX -0.06780 0.04822 -0.01417 0.10664 -0.20042 91 2PY -0.01904 0.02655 -0.03894 -0.05307 0.01822 92 2PZ -0.11732 -0.06028 0.14634 0.06658 0.04089 93 3S 1.62093 -0.08837 -1.17691 2.57714 1.41294 94 3PX 0.35215 -0.27959 -0.31809 -0.04856 0.31976 95 3PY -0.16541 -0.08872 -1.03961 -0.36441 -0.50742 96 3PZ 0.56510 0.06182 -0.28072 -0.64304 -0.03318 97 4XX 0.00356 -0.01741 -0.01014 -0.01363 -0.09769 98 4YY -0.01641 -0.00268 -0.02360 -0.08403 -0.04162 99 4ZZ -0.05202 0.04983 0.02986 -0.04547 0.05071 100 4XY -0.00083 -0.02092 0.01096 -0.06076 0.11261 101 4XZ -0.05462 -0.08125 0.01952 -0.00221 -0.01066 102 4YZ -0.02749 -0.04507 -0.07334 0.09482 -0.05740 103 13 H 1S -0.06514 0.04242 -0.11307 -0.15513 -0.16428 104 2S -0.39547 -0.26923 -0.06031 -0.36049 -0.07326 105 14 H 1S -0.27026 0.04594 0.03821 -0.15763 -0.17395 106 2S -0.44183 0.13329 0.08662 -0.14253 -0.38461 107 15 C 1S 0.00038 -0.00540 0.00346 -0.00487 -0.00762 108 2S -0.63558 0.22154 0.03283 0.08297 -0.15478 109 2PX -0.12389 0.15800 -0.01294 0.00824 -0.10355 110 2PY -0.11848 -0.06595 0.10862 -0.05918 0.10891 111 2PZ -0.11836 -0.07527 -0.10827 0.10889 0.01701 112 3S 2.46797 -0.60890 -1.11022 -0.17059 0.06250 113 3PX -0.75241 -0.07381 0.24059 -0.15890 0.59377 114 3PY 1.09114 0.24246 -0.82339 0.37055 -0.27661 115 3PZ 0.91628 -0.02723 0.32721 -0.00345 -0.38071 116 4XX 0.01831 -0.06030 -0.02458 -0.12582 -0.16220 117 4YY -0.00374 0.03763 -0.00763 0.00594 0.04617 118 4ZZ 0.01385 0.01583 0.00647 0.09165 0.03191 119 4XY -0.01272 -0.11110 0.03091 0.13427 0.04373 120 4XZ 0.01308 -0.05966 0.03782 0.00470 -0.01944 121 4YZ 0.00353 -0.00737 0.04773 0.05580 -0.03197 122 16 H 1S 0.18547 -0.06092 0.10666 0.19986 -0.08674 123 2S 0.19491 0.26158 -0.07095 -0.08940 -0.34350 124 17 C 1S -0.00014 -0.00541 -0.00346 -0.00487 -0.00757 125 2S 0.62659 0.24681 -0.03341 0.08306 -0.15334 126 2PX 0.11766 0.16290 0.01259 0.00820 -0.10271 127 2PY -0.12110 0.06138 0.10844 0.05913 -0.10896 128 2PZ 0.12131 -0.07028 0.10846 0.10898 0.01674 129 3S -2.44187 -0.70481 1.11130 -0.17131 0.06051 130 3PX 0.75455 -0.04454 -0.24003 -0.15836 0.58831 131 3PY 1.10057 -0.20042 -0.82300 -0.37005 0.27720 132 3PZ -0.91431 -0.06389 -0.32758 -0.00405 -0.37701 133 4XX -0.01584 -0.06095 0.02456 -0.12576 -0.16234 134 4YY 0.00229 0.03777 0.00757 0.00596 0.04621 135 4ZZ -0.01452 0.01528 -0.00645 0.09154 0.03227 136 4XY -0.01715 0.11057 0.03075 -0.13430 -0.04375 137 4XZ -0.01070 -0.06020 -0.03773 0.00469 -0.01965 138 4YZ 0.00326 0.00757 0.04776 -0.05583 0.03180 139 18 H 1S -0.18295 -0.06830 -0.10656 0.19968 -0.08553 140 2S -0.20516 0.25393 0.07031 -0.08959 -0.34236 141 19 O 1S -0.00437 -0.01191 0.00113 0.00900 0.00326 142 2S -0.15975 -0.25600 -0.02508 0.09540 -0.12022 143 2PX 0.11786 -0.39826 -0.14502 -0.04270 -0.23904 144 2PY -0.08830 0.10915 -0.03622 0.20889 -0.05092 145 2PZ -0.23429 -0.18186 0.11785 0.06985 0.13466 146 3S -0.09404 0.56065 -0.07760 -0.14250 -0.03195 147 3PX -0.55433 0.78369 0.29785 0.16011 0.67200 148 3PY 0.09726 -0.21155 0.10376 -0.42596 -0.03526 149 3PZ 0.59812 0.25159 -0.33270 -0.06766 -0.46597 150 4XX -0.04443 -0.09674 -0.01589 0.08118 0.04907 151 4YY -0.09623 0.04225 -0.00547 0.01897 -0.11269 152 4ZZ -0.01068 -0.17013 0.01687 -0.01934 0.00397 153 4XY 0.00851 -0.01477 -0.01121 -0.03096 -0.02190 154 4XZ 0.07687 0.04309 0.03093 -0.03066 0.04270 155 4YZ -0.01712 -0.07208 0.05054 0.06138 0.06770 156 20 O 1S 0.00485 -0.01172 -0.00111 0.00901 0.00330 157 2S 0.16995 -0.24931 0.02536 0.09554 -0.11969 158 2PX -0.10176 -0.40240 0.14558 -0.04276 -0.23873 159 2PY -0.08377 -0.11268 -0.03602 -0.20900 0.05120 160 2PZ 0.24124 -0.17268 -0.11737 0.06991 0.13389 161 3S 0.07112 0.56372 0.07698 -0.14262 -0.03476 162 3PX 0.52243 0.80460 -0.29886 0.16038 0.67034 163 3PY 0.08868 0.21561 0.10336 0.42614 0.03492 164 3PZ -0.60748 0.22830 0.33183 -0.06784 -0.46385 165 4XX 0.04831 -0.09489 0.01608 0.08114 0.04932 166 4YY 0.09443 0.04609 0.00530 0.01907 -0.11255 167 4ZZ 0.01755 -0.16955 -0.01661 -0.01928 0.00399 168 4XY 0.00793 0.01504 -0.01124 0.03098 0.02176 169 4XZ -0.07853 0.03992 -0.03097 -0.03072 0.04274 170 4YZ -0.01995 0.07147 0.05035 -0.06141 -0.06767 171 21 C 1S -0.00010 0.00411 -0.00001 0.02477 -0.05852 172 2S -0.00126 0.04892 -0.00018 0.47331 -0.90354 173 2PX 0.00152 -0.07851 0.00007 0.27463 -0.04645 174 2PY 0.04943 0.00103 0.02979 0.00002 -0.00010 175 2PZ -0.00260 0.12857 -0.00008 0.02775 0.04697 176 3S -0.00046 0.04737 0.00044 -0.43044 2.59694 177 3PX 0.00588 -0.28586 0.00029 -0.42022 0.21000 178 3PY 0.60732 0.01184 -0.38447 0.00023 -0.00065 179 3PZ 0.01389 -0.68616 0.00049 -0.43810 -0.33702 180 4XX -0.00034 0.01566 0.00000 -0.02634 -0.03825 181 4YY 0.00130 -0.06469 0.00007 0.10322 0.04399 182 4ZZ -0.00219 0.10729 -0.00012 0.01123 -0.07021 183 4XY 0.04820 0.00098 -0.03782 0.00005 -0.00009 184 4XZ 0.00373 -0.18355 0.00015 -0.02911 0.02001 185 4YZ -0.06279 -0.00126 0.00503 0.00003 0.00012 186 22 H 1S 0.00458 -0.22871 0.00014 0.07469 -0.25266 187 2S 0.00048 -0.02546 -0.00005 -0.25003 -0.38271 188 23 H 1S -0.00037 0.01549 -0.00010 0.07427 -0.26868 189 2S -0.00824 0.40586 -0.00032 0.46400 -0.14079 116 117 118 119 120 V V V V V Eigenvalues -- 1.29232 1.37842 1.37962 1.42830 1.44448 1 1 C 1S 0.01323 0.00231 -0.00275 -0.04329 0.01641 2 2S -0.13354 0.04600 -0.08447 -0.47635 0.25431 3 2PX -0.06083 -0.02501 0.01682 0.04376 -0.06536 4 2PY -0.17681 0.06424 -0.00380 -0.01802 0.13815 5 2PZ 0.11653 0.00084 0.04903 0.00022 0.02258 6 3S -0.39301 0.15259 0.96404 1.50203 -0.70344 7 3PX 0.67510 0.09804 0.05760 -0.10796 0.50673 8 3PY 0.37784 0.06123 0.21835 -0.04368 -1.03122 9 3PZ -0.31037 0.21506 -0.72544 -0.13217 -0.63248 10 4XX 0.00817 -0.11979 -0.07439 -0.01440 0.21084 11 4YY 0.05637 -0.00578 -0.01573 0.04171 -0.05551 12 4ZZ -0.03994 0.11670 0.07400 -0.09473 -0.14048 13 4XY -0.06909 -0.08659 0.01892 -0.08766 -0.05314 14 4XZ 0.01201 -0.02075 0.01331 -0.12479 -0.13173 15 4YZ -0.06201 -0.10914 -0.03307 -0.04899 0.14539 16 2 H 1S 0.10313 0.11019 -0.05135 -0.21160 -0.08878 17 2S 0.18686 -0.03147 0.04277 -0.18981 -0.35076 18 3 C 1S 0.03290 -0.00024 0.02303 0.00374 -0.00101 19 2S 0.56870 -0.02504 0.42834 0.02326 -0.19493 20 2PX 0.02470 0.04484 -0.02915 0.01090 0.01643 21 2PY -0.05747 0.01432 -0.04755 -0.02489 -0.13665 22 2PZ -0.18429 0.00001 0.11531 -0.05498 -0.11334 23 3S -2.39163 0.00993 -1.95066 -0.48263 -0.39980 24 3PX -0.62321 -0.07098 0.93850 0.18516 -0.41551 25 3PY 0.01585 -0.01484 -0.27071 0.20769 0.94104 26 3PZ 1.26778 -0.00440 -0.74910 -0.08393 0.59683 27 4XX 0.05746 0.16873 0.08578 -0.01591 -0.20366 28 4YY 0.00946 -0.01790 0.00574 0.04832 -0.03770 29 4ZZ 0.00735 -0.15402 -0.05413 -0.05613 0.21960 30 4XY -0.08023 0.03334 0.01675 0.00091 -0.03566 31 4XZ -0.04914 0.02564 -0.01094 -0.08396 0.01881 32 4YZ 0.02771 0.05087 0.02523 0.05567 -0.08816 33 4 H 1S 0.46707 0.01493 -0.08829 -0.01312 0.32062 34 2S 0.79228 0.03008 -0.23072 -0.00235 0.45466 35 5 C 1S -0.03299 -0.00050 -0.02303 0.00372 -0.00097 36 2S -0.57084 -0.02972 -0.42790 0.02287 -0.19447 37 2PX -0.02431 0.04516 0.02864 0.01095 0.01648 38 2PY -0.05708 -0.01484 -0.04752 0.02490 0.13655 39 2PZ 0.18391 -0.00120 -0.11522 -0.05507 -0.11335 40 3S 2.39625 0.03093 1.95115 -0.48056 -0.39994 41 3PX 0.62029 -0.08080 -0.93731 0.18423 -0.41573 42 3PY 0.01485 0.01183 -0.27007 -0.20839 -0.93924 43 3PZ -1.26528 0.00318 0.74860 -0.08297 0.59786 44 4XX -0.05744 0.16778 -0.08750 -0.01594 -0.20323 45 4YY -0.00991 -0.01795 -0.00554 0.04833 -0.03776 46 4ZZ -0.00707 -0.15344 0.05570 -0.05614 0.21922 47 4XY -0.08056 -0.03313 0.01717 -0.00091 0.03561 48 4XZ 0.04932 0.02579 0.01066 -0.08396 0.01864 49 4YZ 0.02744 -0.05054 0.02586 -0.05568 0.08806 50 6 H 1S -0.46647 0.01581 0.08778 -0.01296 0.32064 51 2S -0.79120 0.03238 0.22997 -0.00198 0.45464 52 7 C 1S -0.01326 0.00231 0.00273 -0.04329 0.01645 53 2S 0.13352 0.04653 0.08406 -0.47605 0.25467 54 2PX 0.06129 -0.02512 -0.01651 0.04358 -0.06480 55 2PY -0.17717 -0.06433 -0.00290 0.01802 -0.13842 56 2PZ -0.11669 0.00030 -0.04912 0.00016 0.02240 57 3S 0.39209 0.14368 -0.96630 1.50037 -0.70593 58 3PX -0.67734 0.09733 -0.05906 -0.10785 0.50440 59 3PY 0.38193 -0.05901 0.21741 0.04432 1.03347 60 3PZ 0.31198 0.22300 0.72381 -0.13213 -0.63145 61 4XX -0.00817 -0.11899 0.07557 -0.01451 0.21051 62 4YY -0.05667 -0.00568 0.01587 0.04171 -0.05552 63 4ZZ 0.04030 0.11594 -0.07519 -0.09465 -0.14016 64 4XY -0.06900 0.08676 0.01788 0.08762 0.05320 65 4XZ -0.01179 -0.02087 -0.01290 -0.12480 -0.13175 66 4YZ -0.06192 0.10877 -0.03415 0.04897 -0.14492 67 8 H 1S -0.10413 0.11067 0.05043 -0.21161 -0.08892 68 2S -0.18816 -0.03214 -0.04180 -0.18984 -0.35135 69 9 C 1S -0.00886 0.02275 0.02573 -0.00545 -0.00169 70 2S -0.22762 0.31851 0.32663 -0.25008 0.18714 71 2PX -0.13735 -0.12135 0.18878 0.10352 0.09882 72 2PY -0.02396 -0.08081 0.04481 0.06155 -0.04245 73 2PZ -0.04192 -0.15335 0.04331 0.14922 -0.14443 74 3S 0.72924 -0.61727 -1.24365 0.04116 0.59801 75 3PX 0.93946 0.20477 -1.00752 -0.32286 -0.17072 76 3PY -0.55691 -0.03046 0.04067 -0.17105 0.19865 77 3PZ 0.54946 0.31291 -0.28074 -0.10488 -0.22919 78 4XX 0.01990 0.04624 -0.01958 -0.06091 -0.13131 79 4YY -0.00502 0.03372 0.00034 -0.01467 -0.00911 80 4ZZ -0.04106 -0.04633 0.06755 0.06212 0.15006 81 4XY -0.01387 0.00366 -0.03793 -0.15838 -0.23659 82 4XZ -0.09388 0.02849 0.09765 0.12227 0.14457 83 4YZ -0.02147 -0.14164 0.01480 0.01632 -0.09471 84 10 H 1S -0.19550 0.13962 0.22440 -0.01240 0.03234 85 2S -0.32591 -0.18838 0.44684 0.16784 0.05396 86 11 H 1S 0.16569 0.13520 -0.06170 -0.01115 -0.04231 87 2S 0.05654 0.11070 -0.09591 -0.23275 -0.06327 88 12 C 1S 0.00898 0.02245 -0.02598 -0.00544 -0.00159 89 2S 0.22928 0.31477 -0.33036 -0.24985 0.18830 90 2PX 0.13827 -0.12339 -0.18751 0.10348 0.09886 91 2PY -0.02408 0.08134 0.04393 -0.06159 0.04236 92 2PZ 0.04176 -0.15384 -0.04156 0.14921 -0.14427 93 3S -0.73350 -0.60280 1.25028 0.03995 0.59304 94 3PX -0.94071 0.21558 1.00526 -0.32243 -0.17176 95 3PY -0.55490 0.03061 0.04016 0.17089 -0.20095 96 3PZ -0.55014 0.31585 0.27770 -0.10445 -0.22978 97 4XX -0.01960 0.04639 0.01926 -0.06091 -0.13143 98 4YY 0.00516 0.03364 -0.00073 -0.01465 -0.00923 99 4ZZ 0.04091 -0.04693 -0.06720 0.06212 0.15038 100 4XY -0.01431 -0.00409 -0.03809 0.15833 0.23660 101 4XZ 0.09395 0.02743 -0.09807 0.12229 0.14462 102 4YZ -0.02116 0.14178 0.01317 -0.01634 0.09446 103 13 H 1S -0.16516 0.13576 0.06018 -0.01097 -0.04229 104 2S -0.05628 0.11154 0.09457 -0.23266 -0.06318 105 14 H 1S 0.19614 0.13713 -0.22601 -0.01249 0.03278 106 2S 0.32748 -0.19332 -0.44488 0.16778 0.05445 107 15 C 1S -0.01408 -0.01364 -0.02221 0.03418 -0.02508 108 2S -0.35813 -0.26673 -0.34709 0.59418 -0.32675 109 2PX -0.20056 -0.03590 -0.01021 0.10870 -0.07054 110 2PY 0.00547 -0.01536 0.00175 0.02294 -0.06391 111 2PZ 0.05121 -0.13235 -0.09160 0.16245 -0.04912 112 3S 0.43717 0.35738 1.70771 -1.40515 0.71466 113 3PX 1.34670 -0.10701 -0.01771 0.10629 -0.06942 114 3PY 0.07394 0.04800 1.93340 0.26680 0.02788 115 3PZ -0.82084 0.27773 0.17058 -0.58431 0.34570 116 4XX 0.03485 0.04911 -0.18809 0.20768 -0.01231 117 4YY -0.01196 -0.00897 0.01633 0.09565 -0.05001 118 4ZZ -0.08990 -0.07761 0.13619 -0.30680 0.03910 119 4XY 0.00035 0.26235 -0.03422 -0.06208 0.16987 120 4XZ 0.05201 0.14782 0.05956 -0.03820 0.00415 121 4YZ -0.02931 0.13712 -0.00062 0.10564 0.03233 122 16 H 1S -0.27078 0.01065 0.17911 0.07243 -0.03050 123 2S -0.27655 0.12427 0.29287 0.06683 0.03907 124 17 C 1S 0.01411 -0.01337 0.02236 0.03419 -0.02504 125 2S 0.35878 -0.26276 0.35004 0.59457 -0.32602 126 2PX 0.20099 -0.03575 0.01064 0.10876 -0.07046 127 2PY 0.00597 0.01546 0.00147 -0.02299 0.06411 128 2PZ -0.05126 -0.13135 0.09309 0.16251 -0.04937 129 3S -0.43737 0.33830 -1.71128 -1.40707 0.71140 130 3PX -1.34907 -0.10736 0.01888 0.10653 -0.06675 131 3PY 0.07248 -0.02679 1.93423 -0.26522 -0.03106 132 3PZ 0.82252 0.27609 -0.17328 -0.58496 0.34740 133 4XX -0.03427 0.05125 0.18759 0.20764 -0.01201 134 4YY 0.01176 -0.00908 -0.01622 0.09569 -0.04994 135 4ZZ 0.08985 -0.07918 -0.13537 -0.30684 0.03867 136 4XY 0.00045 -0.26275 -0.03113 0.06206 -0.16980 137 4XZ -0.05193 0.14710 -0.06121 -0.03825 0.00424 138 4YZ -0.02947 -0.13711 0.00095 -0.10551 -0.03287 139 18 H 1S 0.27115 0.00874 -0.17927 0.07229 -0.02964 140 2S 0.27790 0.12119 -0.29435 0.06648 0.04084 141 19 O 1S -0.00719 0.01884 0.00568 -0.01740 0.01071 142 2S -0.11927 0.13815 -0.01740 -0.16037 0.07366 143 2PX -0.10232 -0.16763 -0.32865 -0.05510 -0.01633 144 2PY 0.08258 -0.03179 0.12992 0.05066 -0.01210 145 2PZ 0.21420 -0.13273 0.12991 0.08130 -0.02345 146 3S 0.62474 -0.74340 -0.23578 0.68495 -0.33526 147 3PX 0.46496 0.34505 0.91606 0.48044 -0.16125 148 3PY -0.13597 -0.11445 -0.53867 -0.10504 -0.01822 149 3PZ -0.57695 0.26571 -0.53854 -0.28106 0.21032 150 4XX -0.07846 0.00525 0.10276 -0.25016 0.03413 151 4YY -0.01672 -0.06486 0.07681 -0.00645 0.00256 152 4ZZ 0.00347 0.22087 -0.17343 0.08768 0.03192 153 4XY -0.03045 -0.13756 -0.10044 -0.06026 -0.00435 154 4XZ -0.01034 -0.02085 0.10489 -0.07056 -0.02065 155 4YZ 0.03228 -0.03499 0.00693 -0.13678 0.02893 156 20 O 1S 0.00718 0.01879 -0.00589 -0.01742 0.01061 157 2S 0.11978 0.13848 0.01587 -0.16063 0.07180 158 2PX 0.10340 -0.16391 0.33053 -0.05502 -0.01635 159 2PY 0.08243 0.03323 0.12960 -0.05057 0.01241 160 2PZ -0.21456 -0.13422 -0.12849 0.08122 -0.02244 161 3S -0.62457 -0.74116 0.24405 0.68585 -0.33019 162 3PX -0.46797 0.33469 -0.91994 0.48023 -0.16045 163 3PY -0.13630 0.10850 -0.54017 0.10464 0.01771 164 3PZ 0.57854 0.27189 0.53560 -0.28080 0.20705 165 4XX 0.07834 0.00410 -0.10283 -0.25011 0.03235 166 4YY 0.01713 -0.06566 -0.07605 -0.00665 0.00208 167 4ZZ -0.00348 0.22285 0.17095 0.08762 0.03272 168 4XY -0.03057 0.13644 -0.10194 0.06028 0.00330 169 4XZ 0.01017 -0.02203 -0.10469 -0.07053 -0.02043 170 4YZ 0.03247 0.03501 0.00652 0.13680 -0.03013 171 21 C 1S 0.00012 -0.01560 0.00009 -0.02485 0.02014 172 2S 0.00193 -0.39617 0.00222 -0.20594 0.21156 173 2PX 0.00014 -0.00519 0.00002 -0.02694 0.03308 174 2PY -0.05662 -0.00090 -0.16447 -0.00006 0.00007 175 2PZ -0.00009 0.00007 -0.00002 -0.02572 0.02507 176 3S -0.00550 1.06897 -0.00609 0.87849 -0.64264 177 3PX -0.00048 -0.16514 0.00097 0.28767 -0.28516 178 3PY -0.41603 -0.00489 -0.87860 -0.00024 0.00033 179 3PZ 0.00069 -0.39876 0.00215 0.01654 -0.18127 180 4XX 0.00010 -0.14218 0.00078 -0.04635 -0.00875 181 4YY -0.00008 0.08709 -0.00055 -0.01186 0.02557 182 4ZZ 0.00012 0.04718 -0.00020 0.04186 0.00777 183 4XY -0.07233 0.00011 0.02031 -0.00008 0.00108 184 4XZ -0.00003 0.08065 -0.00046 -0.07008 0.02168 185 4YZ 0.03542 0.00145 0.25677 -0.00005 0.00118 186 22 H 1S 0.00056 -0.16373 0.00094 -0.04073 -0.00180 187 2S 0.00074 -0.22777 0.00131 0.05825 -0.04864 188 23 H 1S 0.00054 0.01986 -0.00011 -0.14620 0.11464 189 2S 0.00035 -0.08571 0.00049 -0.13265 0.19652 121 122 123 124 125 V V V V V Eigenvalues -- 1.45104 1.48260 1.50281 1.51873 1.53106 1 1 C 1S 0.00561 0.03029 -0.00259 -0.02774 0.00349 2 2S 0.08614 0.30300 0.31318 -0.60247 0.22115 3 2PX 0.07891 -0.07314 -0.23171 0.12440 -0.01195 4 2PY 0.06501 -0.00253 0.09856 -0.01084 0.01398 5 2PZ -0.03162 -0.01814 0.02219 0.04721 0.00754 6 3S -0.46212 -1.19030 -2.59924 2.12911 -0.83760 7 3PX -0.44541 0.13666 -0.01973 -0.04454 0.15633 8 3PY -0.52884 0.10548 -2.20698 0.37178 -0.43501 9 3PZ 0.04385 -0.40138 -0.63074 -0.56967 -0.67180 10 4XX -0.05999 0.11872 0.01988 0.28011 -0.02075 11 4YY -0.03319 -0.07135 -0.10172 -0.09752 0.05569 12 4ZZ 0.08228 -0.02074 -0.00305 -0.18211 -0.03524 13 4XY 0.03522 0.20329 0.11594 0.00781 -0.04512 14 4XZ -0.00318 0.11485 -0.05349 -0.00914 -0.02269 15 4YZ -0.06890 0.09228 0.21986 0.11535 -0.10085 16 2 H 1S -0.06516 0.16520 -0.28549 -0.07253 -0.06600 17 2S -0.15677 0.14421 -0.50838 -0.10545 -0.06995 18 3 C 1S 0.00635 0.00081 -0.04016 0.00236 -0.00474 19 2S 0.07382 0.18116 -0.70814 0.11335 -0.22969 20 2PX 0.00682 -0.10161 0.02659 -0.06439 0.20603 21 2PY 0.02000 0.05473 0.02086 0.02542 -0.04906 22 2PZ 0.00939 0.06262 -0.13640 0.01005 0.00947 23 3S 0.14048 -0.01246 4.76793 -0.91801 0.04337 24 3PX -0.03871 0.18379 -1.69537 0.81318 -0.27822 25 3PY -0.26646 -0.19607 2.54678 0.30723 0.33618 26 3PZ 0.20274 -0.03239 2.11611 -0.72245 0.24767 27 4XX 0.07165 -0.13326 -0.16625 -0.19707 0.22982 28 4YY -0.00777 0.00931 0.00992 0.02127 -0.07766 29 4ZZ -0.06623 0.10338 0.15111 0.17186 -0.13223 30 4XY 0.01336 -0.10340 0.03771 0.01004 -0.38152 31 4XZ -0.02989 -0.02478 -0.00984 0.02036 -0.06053 32 4YZ 0.01255 -0.21235 0.03674 -0.04935 -0.26294 33 4 H 1S -0.00380 0.00917 0.40544 -0.05230 0.02497 34 2S -0.02443 -0.11664 0.85569 -0.21137 0.18817 35 5 C 1S -0.00636 0.00079 0.04017 -0.00236 -0.00476 36 2S -0.07487 0.18071 0.70831 -0.11335 -0.23000 37 2PX -0.00676 -0.10156 -0.02661 0.06441 0.20606 38 2PY 0.02074 -0.05477 0.02079 0.02545 0.04911 39 2PZ -0.00999 0.06258 0.13649 -0.01009 0.00948 40 3S -0.14265 -0.00852 -4.76782 0.91770 0.04490 41 3PX 0.03649 0.18229 1.69513 -0.81321 -0.27863 42 3PY -0.27156 0.19479 2.54778 0.30688 -0.33687 43 3PZ -0.19941 -0.03051 -2.11563 0.72238 0.24805 44 4XX -0.07286 -0.13323 0.16628 0.19708 0.22970 45 4YY 0.00756 0.00926 -0.00992 -0.02127 -0.07765 46 4ZZ 0.06754 0.10340 -0.15115 -0.17185 -0.13213 47 4XY 0.01363 0.10334 0.03794 0.01000 0.38156 48 4XZ 0.03001 -0.02484 0.00977 -0.02029 -0.06047 49 4YZ 0.01318 0.21225 0.03697 -0.04948 0.26290 50 6 H 1S 0.00560 0.00942 -0.40553 0.05227 0.02503 51 2S 0.02695 -0.11608 -0.85584 0.21139 0.18831 52 7 C 1S -0.00550 0.03031 0.00258 0.02774 0.00348 53 2S -0.08449 0.30362 -0.31336 0.60244 0.22122 54 2PX -0.07935 -0.07328 0.23180 -0.12444 -0.01204 55 2PY 0.06423 0.00238 0.09865 -0.01081 -0.01400 56 2PZ 0.03175 -0.01815 -0.02213 -0.04724 0.00753 57 3S 0.45740 -1.19349 2.59934 -2.12861 -0.83823 58 3PX 0.44841 0.13606 0.01977 0.04475 0.15614 59 3PY -0.52310 -0.10303 -2.20696 0.37122 0.43568 60 3PZ -0.04774 -0.40164 0.63003 0.57007 -0.67185 61 4XX 0.06122 0.11860 -0.01987 -0.28018 -0.02087 62 4YY 0.03290 -0.07140 0.10163 0.09749 0.05563 63 4ZZ -0.08312 -0.02063 0.00314 0.18221 -0.03510 64 4XY 0.03541 -0.20337 0.11573 0.00776 0.04504 65 4XZ 0.00252 0.11481 0.05362 0.00911 -0.02266 66 4YZ -0.06978 -0.09231 0.21996 0.11531 0.10084 67 8 H 1S 0.06478 0.16493 0.28536 0.07257 -0.06606 68 2S 0.15489 0.14371 0.50827 0.10557 -0.07004 69 9 C 1S 0.02548 -0.03296 0.03126 0.00045 -0.01887 70 2S 0.29857 -0.43967 0.38376 0.02994 -0.27354 71 2PX 0.04723 0.04714 -0.09506 -0.03196 0.03739 72 2PY 0.03465 0.02003 0.02710 -0.03754 0.05828 73 2PZ 0.04182 -0.01263 0.04413 -0.07081 -0.06652 74 3S -1.33553 1.41614 -2.76129 0.33014 1.12669 75 3PX -0.41520 0.01725 0.50685 -0.27786 0.01891 76 3PY 0.53474 0.36132 0.39820 -0.07510 0.21009 77 3PZ -0.14555 -0.22197 0.77011 -0.08255 -0.32000 78 4XX -0.01222 0.13152 0.11850 -0.01559 0.04755 79 4YY -0.01556 -0.04537 0.00699 0.01623 0.04312 80 4ZZ 0.05505 -0.11555 -0.09948 0.00023 -0.09914 81 4XY -0.01517 0.19372 0.04466 0.07459 -0.01919 82 4XZ 0.04047 -0.09530 0.01823 -0.07298 0.10764 83 4YZ 0.05002 -0.00997 0.02447 -0.02554 -0.17141 84 10 H 1S 0.12063 -0.17569 -0.05143 0.13761 -0.04283 85 2S 0.19186 -0.08886 -0.06605 -0.02626 -0.05113 86 11 H 1S 0.00611 -0.08997 0.21984 -0.02379 -0.09385 87 2S -0.00479 -0.28990 0.31670 -0.17674 -0.07053 88 12 C 1S -0.02551 -0.03291 -0.03129 -0.00042 -0.01885 89 2S -0.29765 -0.43916 -0.38428 -0.02953 -0.27332 90 2PX -0.04671 0.04719 0.09513 0.03189 0.03741 91 2PY 0.03493 -0.02009 0.02695 -0.03747 -0.05828 92 2PZ -0.04268 -0.01250 -0.04402 0.07077 -0.06653 93 3S 1.33953 1.41276 2.76210 -0.33121 1.12567 94 3PX 0.41434 0.01703 -0.50670 0.27785 0.01916 95 3PY 0.53333 -0.36214 0.39856 -0.07505 -0.21018 96 3PZ 0.14445 -0.22173 -0.77032 0.08278 -0.31992 97 4XX 0.01154 0.13164 -0.11840 0.01554 0.04752 98 4YY 0.01546 -0.04540 -0.00696 -0.01620 0.04304 99 4ZZ -0.05424 -0.11560 0.09932 -0.00019 -0.09901 100 4XY -0.01394 -0.19364 0.04450 0.07464 0.01917 101 4XZ -0.03973 -0.09519 -0.01835 0.07302 0.10770 102 4YZ 0.05054 0.00991 0.02436 -0.02545 0.17143 103 13 H 1S -0.00638 -0.08982 -0.21984 0.02384 -0.09376 104 2S 0.00434 -0.28977 -0.31692 0.17702 -0.07038 105 14 H 1S -0.12053 -0.17561 0.05128 -0.13744 -0.04285 106 2S -0.19170 -0.08859 0.06612 0.02628 -0.05108 107 15 C 1S 0.00463 -0.01031 -0.00321 0.01715 -0.00123 108 2S 0.14003 -0.11957 0.39137 -0.05564 0.17275 109 2PX 0.03416 -0.07583 0.16186 -0.05629 0.11801 110 2PY -0.04774 -0.02055 -0.07203 -0.06559 -0.05172 111 2PZ -0.06120 0.00240 0.08907 0.01918 0.05267 112 3S -0.50769 0.33583 -0.91913 1.08259 -0.21017 113 3PX 0.40293 0.11583 0.06419 -0.63710 -0.30751 114 3PY 0.78794 -0.06301 0.26686 1.32219 0.17844 115 3PZ 0.31811 -0.00606 -0.44236 0.39517 0.09060 116 4XX 0.00863 0.18003 -0.10688 0.02455 -0.09390 117 4YY 0.00888 -0.04136 -0.00493 0.00032 0.05772 118 4ZZ -0.03435 -0.13156 0.05357 0.05578 -0.00977 119 4XY -0.02023 0.11009 -0.00364 -0.03178 -0.06790 120 4XZ 0.02115 0.01991 -0.09548 0.02851 -0.02359 121 4YZ 0.09296 0.13740 0.02088 0.03963 -0.07239 122 16 H 1S 0.18193 -0.06728 -0.00609 0.20977 0.06843 123 2S 0.37248 -0.07226 0.05500 0.33001 0.11763 124 17 C 1S -0.00478 -0.01033 0.00324 -0.01717 -0.00122 125 2S -0.14208 -0.11930 -0.39099 0.05550 0.17302 126 2PX -0.03460 -0.07565 -0.16181 0.05628 0.11810 127 2PY -0.04736 0.02063 -0.07206 -0.06554 0.05174 128 2PZ 0.06089 0.00240 -0.08899 -0.01926 0.05269 129 3S 0.51200 0.33546 0.91835 -1.08219 -0.21095 130 3PX -0.40337 0.11603 -0.06406 0.63699 -0.30772 131 3PY 0.78779 0.06206 0.26678 1.32230 -0.17861 132 3PZ -0.31589 -0.00610 0.44191 -0.39459 0.09056 133 4XX -0.00870 0.17987 0.10708 -0.02479 -0.09394 134 4YY -0.00921 -0.04129 0.00497 -0.00035 0.05769 135 4ZZ 0.03461 -0.13155 -0.05379 -0.05552 -0.00970 136 4XY -0.02129 -0.11006 -0.00352 -0.03188 0.06790 137 4XZ -0.02111 0.01984 0.09548 -0.02853 -0.02360 138 4YZ 0.09275 -0.13740 0.02083 0.03966 0.07237 139 18 H 1S -0.18209 -0.06722 0.00610 -0.20979 0.06853 140 2S -0.37227 -0.07192 -0.05511 -0.32991 0.11775 141 19 O 1S -0.01900 0.00227 -0.00943 0.03450 0.01291 142 2S -0.36213 0.00386 -0.24239 0.64260 0.20365 143 2PX -0.04710 -0.02201 -0.14040 -0.00334 -0.00466 144 2PY -0.05019 0.02474 -0.01955 0.18673 0.06102 145 2PZ 0.18074 -0.04530 0.09981 0.10590 -0.01487 146 3S 0.93492 -0.00773 0.68450 -1.69381 -0.60267 147 3PX 0.25892 0.02616 0.47463 0.09545 0.05680 148 3PY 0.04325 -0.04731 -0.00033 -0.72071 -0.26771 149 3PZ -0.62262 0.22509 -0.31898 -0.26743 -0.00593 150 4XX -0.29032 -0.17060 0.00496 0.05093 0.11585 151 4YY -0.08800 0.06870 -0.05108 0.33561 0.05736 152 4ZZ 0.09898 0.10155 -0.12751 0.08928 -0.01879 153 4XY 0.17933 -0.04202 0.01676 0.08151 -0.02178 154 4XZ 0.06937 -0.07492 0.07203 -0.12110 -0.02909 155 4YZ 0.21166 -0.12269 0.03915 0.05696 0.03631 156 20 O 1S 0.01907 0.00224 0.00942 -0.03449 0.01291 157 2S 0.36260 0.00332 0.24229 -0.64249 0.20358 158 2PX 0.04693 -0.02219 0.14042 0.00325 -0.00473 159 2PY -0.05010 -0.02464 -0.01958 0.18676 -0.06102 160 2PZ -0.18091 -0.04518 -0.09981 -0.10586 -0.01485 161 3S -0.93715 -0.00644 -0.68398 1.69325 -0.60253 162 3PX -0.25969 0.02673 -0.47441 -0.09538 0.05705 163 3PY 0.04337 0.04714 -0.00038 -0.72065 0.26776 164 3PZ 0.62390 0.22462 0.31888 0.26726 -0.00601 165 4XX 0.29050 -0.17068 -0.00517 -0.05073 0.11586 166 4YY 0.08795 0.06849 0.05111 -0.33563 0.05740 167 4ZZ -0.09867 0.10145 0.12758 -0.08934 -0.01888 168 4XY 0.17940 0.04198 0.01681 0.08145 0.02179 169 4XZ -0.06948 -0.07475 -0.07209 0.12118 -0.02903 170 4YZ 0.21155 0.12257 0.03927 0.05676 -0.03628 171 21 C 1S 0.00006 0.00765 -0.00001 0.00000 -0.00316 172 2S 0.00055 0.17919 -0.00002 -0.00009 -0.02881 173 2PX 0.00010 0.04575 0.00000 0.00001 0.07157 174 2PY -0.03988 0.00000 -0.03284 -0.23417 0.00002 175 2PZ 0.00007 0.05060 -0.00001 -0.00003 -0.02313 176 3S -0.00162 -0.44444 0.00013 0.00030 0.50121 177 3PX -0.00082 -0.17725 0.00011 -0.00004 0.02475 178 3PY -0.19387 0.00014 -0.25654 -0.60483 0.00010 179 3PZ -0.00067 -0.33729 -0.00005 -0.00012 -0.09563 180 4XX -0.00003 -0.05726 -0.00002 0.00003 -0.02678 181 4YY 0.00015 -0.02443 -0.00003 0.00001 0.05934 182 4ZZ -0.00005 0.08093 0.00004 -0.00003 -0.02429 183 4XY -0.36616 0.00005 0.01668 -0.15459 -0.00001 184 4XZ 0.00001 -0.08849 -0.00004 0.00000 -0.01458 185 4YZ -0.37789 -0.00001 0.08066 -0.04376 -0.00003 186 22 H 1S -0.00003 0.02538 0.00002 -0.00005 -0.00202 187 2S -0.00019 -0.03309 0.00004 -0.00008 -0.10391 188 23 H 1S 0.00032 0.03956 -0.00005 0.00001 -0.01995 189 2S 0.00060 0.32764 0.00003 -0.00008 -0.03003 126 127 128 129 130 V V V V V Eigenvalues -- 1.62211 1.64708 1.66557 1.71387 1.73664 1 1 C 1S 0.01982 -0.07339 -0.01084 -0.01490 0.00962 2 2S 0.21541 -0.81304 -0.22398 -0.18598 -0.03193 3 2PX -0.00258 0.09395 0.04094 0.00390 -0.00910 4 2PY -0.01429 0.03858 -0.02704 0.01743 -0.07588 5 2PZ -0.03666 0.02012 0.12624 0.06315 -0.10500 6 3S -0.13432 2.79600 -1.17247 0.82606 -0.03501 7 3PX 0.38357 -0.61340 -0.38949 -0.18964 0.13532 8 3PY 0.45907 -0.37291 -0.91004 0.34774 0.53346 9 3PZ 0.09096 -0.09285 -0.17152 -0.06511 -0.20629 10 4XX 0.03572 -0.02013 -0.18940 0.11998 0.06912 11 4YY 0.03578 -0.05628 -0.00967 -0.07111 -0.04289 12 4ZZ -0.05532 -0.00200 0.18659 -0.01226 0.01371 13 4XY 0.08689 0.15822 -0.20966 0.05408 -0.06440 14 4XZ 0.00735 0.05481 -0.00574 0.11065 0.00249 15 4YZ 0.05958 0.12529 -0.15249 -0.10036 0.08754 16 2 H 1S 0.08673 -0.45657 -0.03292 0.04378 0.13180 17 2S 0.19466 -0.45680 -0.28957 0.05960 0.29308 18 3 C 1S 0.02302 0.00449 -0.03622 0.00612 0.00567 19 2S 0.34218 -0.03982 -0.72584 0.03654 0.02163 20 2PX -0.04861 0.09241 0.16371 0.00172 -0.00203 21 2PY -0.02598 -0.05671 0.00843 0.07176 -0.03073 22 2PZ 0.00892 -0.03778 -0.02388 -0.05379 -0.03528 23 3S -1.72038 -0.48116 3.44828 -0.19860 -0.35749 24 3PX 0.54495 0.13380 -1.59192 0.18026 0.18613 25 3PY -0.75095 0.34261 1.46036 -0.15635 0.03398 26 3PZ -0.57864 -0.01419 1.55930 -0.06704 -0.07282 27 4XX -0.01992 -0.01278 0.19787 -0.14563 -0.16368 28 4YY -0.01044 0.01881 0.00555 -0.05461 0.06506 29 4ZZ 0.04238 0.02066 -0.17471 0.22405 0.11209 30 4XY -0.01143 -0.18559 0.00987 0.08091 -0.03104 31 4XZ -0.03305 -0.08800 0.11136 0.02189 0.00219 32 4YZ -0.02428 -0.00191 0.09545 0.03718 0.02951 33 4 H 1S -0.11169 -0.04531 0.30921 -0.03856 -0.03741 34 2S -0.20489 0.07595 0.65279 -0.06286 -0.00562 35 5 C 1S -0.02303 0.00453 0.03622 0.00611 0.00566 36 2S -0.34215 -0.03900 0.72594 0.03643 0.02161 37 2PX 0.04857 0.09218 -0.16384 0.00172 -0.00214 38 2PY -0.02598 0.05670 0.00833 -0.07177 0.03079 39 2PZ -0.00890 -0.03776 0.02395 -0.05381 -0.03523 40 3S 1.72047 -0.48448 -3.44751 -0.19763 -0.35712 41 3PX -0.54479 0.13571 1.59135 0.17991 0.18588 42 3PY -0.75109 -0.34138 1.46136 0.15614 -0.03383 43 3PZ 0.57842 -0.01589 -1.55879 -0.06659 -0.07265 44 4XX 0.01991 -0.01317 -0.19778 -0.14565 -0.16377 45 4YY 0.01046 0.01889 -0.00564 -0.05461 0.06507 46 4ZZ -0.04241 0.02094 0.17467 0.22408 0.11220 47 4XY -0.01148 0.18559 0.00961 -0.08094 0.03107 48 4XZ 0.03308 -0.08812 -0.11126 0.02189 0.00230 49 4YZ -0.02429 0.00203 0.09547 -0.03724 -0.02949 50 6 H 1S 0.11168 -0.04565 -0.30907 -0.03851 -0.03737 51 2S 0.20483 0.07525 -0.65282 -0.06275 -0.00557 52 7 C 1S -0.01980 -0.07339 0.01095 -0.01489 0.00963 53 2S -0.21529 -0.81271 0.22529 -0.18588 -0.03192 54 2PX 0.00256 0.09386 -0.04107 0.00390 -0.00922 55 2PY -0.01428 -0.03867 -0.02702 -0.01749 0.07580 56 2PZ 0.03666 0.01996 -0.12623 0.06316 -0.10482 57 3S 0.13386 2.79731 1.16798 0.82543 -0.03377 58 3PX -0.38358 -0.61314 0.39056 -0.18980 0.13506 59 3PY 0.45892 0.37233 -0.91004 -0.34722 -0.53348 60 3PZ -0.09093 -0.09284 0.17138 -0.06525 -0.20563 61 4XX -0.03574 -0.01978 0.18952 0.12005 0.06918 62 4YY -0.03577 -0.05629 0.00976 -0.07121 -0.04282 63 4ZZ 0.05538 -0.00237 -0.18670 -0.01220 0.01371 64 4XY 0.08693 -0.15849 -0.20938 -0.05406 0.06441 65 4XZ -0.00730 0.05470 0.00562 0.11068 0.00288 66 4YZ 0.05960 -0.12557 -0.15224 0.10034 -0.08768 67 8 H 1S -0.08664 -0.45666 0.03355 0.04378 0.13169 68 2S -0.19454 -0.45660 0.29002 0.05944 0.29298 69 9 C 1S 0.00196 0.02249 0.00221 0.01659 -0.00996 70 2S -0.04943 0.26907 0.11566 0.23923 -0.04769 71 2PX 0.03507 -0.02778 -0.07517 -0.02941 0.01332 72 2PY 0.00397 -0.00150 -0.00447 0.03011 -0.09471 73 2PZ -0.01556 0.03263 -0.04315 -0.09012 -0.03462 74 3S 0.29423 -1.17727 -0.75696 -0.61588 0.38107 75 3PX -0.03382 -0.01704 0.24347 0.10259 -0.08579 76 3PY -0.22950 -0.42413 0.34479 -0.05395 0.34621 77 3PZ 0.16558 0.24911 0.26167 0.33161 0.01905 78 4XX 0.00792 -0.00834 0.03029 -0.00497 0.11760 79 4YY 0.00459 0.02567 -0.01719 0.19363 -0.08430 80 4ZZ 0.00136 -0.02446 -0.02644 -0.18186 -0.06150 81 4XY -0.01825 0.02640 -0.01185 -0.01316 0.06979 82 4XZ 0.01671 -0.14767 -0.08421 0.06264 0.01875 83 4YZ -0.03915 0.09218 0.07759 0.00642 -0.30278 84 10 H 1S -0.02296 0.17186 -0.00114 0.03593 0.01152 85 2S 0.00952 0.10341 -0.15703 -0.05254 -0.05649 86 11 H 1S 0.04437 0.09156 0.08992 0.06137 0.01413 87 2S -0.16648 0.09738 -0.00480 0.08129 -0.19631 88 12 C 1S -0.00197 0.02249 -0.00225 0.01659 -0.01011 89 2S 0.04929 0.26897 -0.11607 0.23916 -0.04972 90 2PX -0.03505 -0.02768 0.07520 -0.02941 0.01330 91 2PY 0.00393 0.00148 -0.00453 -0.03009 0.09481 92 2PZ 0.01558 0.03267 0.04311 -0.09009 -0.03443 93 3S -0.29384 -1.17676 0.75880 -0.61603 0.38821 94 3PX 0.03380 -0.01775 -0.24328 0.10253 -0.08521 95 3PY -0.22952 0.42447 0.34435 0.05384 -0.34481 96 3PZ -0.16575 0.24899 -0.26214 0.33176 0.01828 97 4XX -0.00789 -0.00832 -0.03034 -0.00498 0.11751 98 4YY -0.00459 0.02575 0.01712 0.19363 -0.08441 99 4ZZ -0.00138 -0.02455 0.02657 -0.18185 -0.06136 100 4XY -0.01826 -0.02644 -0.01184 0.01314 -0.06966 101 4XZ -0.01672 -0.14756 0.08445 0.06269 0.01897 102 4YZ -0.03919 -0.09210 0.07768 -0.00631 0.30298 103 13 H 1S -0.04443 0.09142 -0.09007 0.06136 0.01374 104 2S 0.16646 0.09731 0.00484 0.08130 -0.19661 105 14 H 1S 0.02291 0.17192 0.00084 0.03590 0.01090 106 2S -0.00951 0.10366 0.15690 -0.05259 -0.05699 107 15 C 1S -0.02651 0.04661 0.01462 0.02805 0.02160 108 2S -0.35876 0.64634 0.17517 0.15721 0.17268 109 2PX -0.14598 0.03053 0.05277 -0.05906 0.04164 110 2PY 0.07299 -0.05876 0.00337 -0.09890 0.02477 111 2PZ -0.02776 -0.00624 -0.03673 0.02497 0.04224 112 3S 0.94541 -2.05653 0.15909 -0.90727 -1.02904 113 3PX 0.59027 -0.02866 -1.12701 -0.00384 0.23568 114 3PY -0.77691 0.82621 0.12050 0.67666 0.44394 115 3PZ -0.48643 -0.37298 0.77639 0.03044 -0.13418 116 4XX -0.27116 -0.14347 -0.05616 0.03488 0.08812 117 4YY -0.01440 0.00568 0.01000 0.00633 -0.03613 118 4ZZ 0.24909 0.16668 0.10320 0.02028 0.00436 119 4XY 0.06863 0.17265 0.07588 -0.14719 -0.24669 120 4XZ -0.08161 0.06181 -0.02148 0.11791 0.18800 121 4YZ -0.14427 0.20187 0.05639 -0.00401 -0.09959 122 16 H 1S -0.35628 0.15081 0.12942 0.21301 0.23228 123 2S -0.55040 0.35690 0.30243 0.27164 0.18361 124 17 C 1S 0.02651 0.04660 -0.01470 0.02807 0.02162 125 2S 0.35888 0.64616 -0.17622 0.15729 0.17272 126 2PX 0.14597 0.03044 -0.05281 -0.05908 0.04160 127 2PY 0.07290 0.05879 0.00333 0.09895 -0.02465 128 2PZ 0.02778 -0.00617 0.03674 0.02498 0.04213 129 3S -0.94546 -2.05683 -0.15571 -0.90779 -1.02930 130 3PX -0.59008 -0.02712 1.12701 -0.00369 0.23564 131 3PY -0.77676 -0.82632 0.12193 -0.67667 -0.44446 132 3PZ 0.48612 -0.37428 -0.77575 0.03030 -0.13369 133 4XX 0.27121 -0.14330 0.05630 0.03492 0.08805 134 4YY 0.01446 0.00577 -0.00999 0.00631 -0.03621 135 4ZZ -0.24918 0.16634 -0.10344 0.02030 0.00457 136 4XY 0.06872 -0.17252 0.07602 0.14720 0.24679 137 4XZ 0.08165 0.06178 0.02134 0.11800 0.18819 138 4YZ -0.14423 -0.20181 0.05663 0.00400 0.09958 139 18 H 1S 0.35621 0.15065 -0.12970 0.21305 0.23241 140 2S 0.55026 0.35658 -0.30296 0.27170 0.18409 141 19 O 1S -0.00261 -0.01743 0.03101 0.04471 -0.03611 142 2S 0.03207 -0.18360 0.57575 0.67955 -0.43202 143 2PX 0.06640 -0.05634 0.04707 -0.06350 -0.02743 144 2PY 0.01399 0.05203 0.07983 0.17577 0.06815 145 2PZ -0.09550 0.09985 -0.02737 0.04716 0.05972 146 3S 0.08143 0.78457 -1.69475 -2.14722 1.55793 147 3PX -0.38626 0.51739 -0.32511 0.62437 0.33130 148 3PY 0.15605 -0.16008 -0.31314 -1.11674 0.14537 149 3PZ 0.23742 -0.47656 0.19236 -0.52701 -0.34485 150 4XX 0.27130 -0.01297 0.22673 0.13764 -0.08189 151 4YY -0.13607 -0.14428 0.18180 0.24140 -0.28789 152 4ZZ -0.13584 0.01267 -0.01012 0.09958 0.06601 153 4XY 0.16046 0.04309 0.09744 -0.06656 -0.11544 154 4XZ -0.01975 0.10957 -0.11643 -0.13331 0.21281 155 4YZ 0.30926 0.08034 0.11991 0.09449 0.02069 156 20 O 1S 0.00260 -0.01748 -0.03097 0.04471 -0.03612 157 2S -0.03219 -0.18434 -0.57537 0.67955 -0.43220 158 2PX -0.06635 -0.05636 -0.04699 -0.06348 -0.02746 159 2PY 0.01399 -0.05195 0.07991 -0.17578 -0.06805 160 2PZ 0.09550 0.09993 0.02724 0.04713 0.05967 161 3S -0.08091 0.78688 1.69320 -2.14712 1.55816 162 3PX 0.38617 0.51778 0.32430 0.62439 0.33147 163 3PY 0.15586 0.15980 -0.31325 1.11688 -0.14539 164 3PZ -0.23738 -0.47689 -0.19165 -0.52684 -0.34503 165 4XX -0.27136 -0.01335 -0.22675 0.13760 -0.08197 166 4YY 0.13594 -0.14450 -0.18157 0.24147 -0.28780 167 4ZZ 0.13592 0.01275 0.01018 0.09955 0.06592 168 4XY 0.16043 -0.04297 0.09746 0.06656 0.11535 169 4XZ 0.01980 0.10968 0.11619 -0.13326 0.21308 170 4YZ 0.30931 -0.08017 0.12000 -0.09443 -0.02077 171 21 C 1S 0.00000 -0.02568 0.00002 -0.07577 0.01226 172 2S 0.00006 -0.23298 0.00014 -0.99558 0.30298 173 2PX 0.00000 -0.01239 0.00001 0.05614 0.03402 174 2PY 0.10935 -0.00003 -0.08033 0.00003 0.00002 175 2PZ 0.00004 -0.06877 0.00004 -0.13297 -0.05217 176 3S -0.00029 1.06667 -0.00070 4.34308 -0.74540 177 3PX -0.00007 0.16585 -0.00011 0.85313 -0.21788 178 3PY 0.36094 -0.00007 -0.08281 0.00012 0.00002 179 3PZ 0.00007 0.10622 -0.00013 -0.55343 0.41983 180 4XX 0.00000 0.05726 -0.00005 -0.04208 -0.09742 181 4YY 0.00000 -0.01114 0.00001 0.24214 0.07769 182 4ZZ -0.00001 -0.01866 0.00002 -0.15289 0.01781 183 4XY -0.07822 0.00002 0.00003 0.00001 0.00004 184 4XZ -0.00001 0.08137 -0.00009 -0.02231 0.26624 185 4YZ -0.16074 0.00005 -0.00604 0.00006 0.00002 186 22 H 1S 0.00003 -0.14619 0.00011 -0.32503 0.03957 187 2S 0.00001 -0.04861 0.00002 -0.32429 0.10006 188 23 H 1S 0.00000 -0.12476 0.00011 -0.26376 -0.06739 189 2S 0.00004 -0.22685 0.00014 -0.47676 0.03017 131 132 133 134 135 V V V V V Eigenvalues -- 1.77200 1.77558 1.79563 1.85593 1.86281 1 1 C 1S 0.00309 0.01192 -0.00704 0.00102 -0.01128 2 2S 0.00545 0.15171 -0.42493 -0.02410 0.04422 3 2PX 0.04241 0.04689 0.12662 0.06832 -0.05426 4 2PY -0.10086 0.13725 -0.11935 0.04507 0.03174 5 2PZ -0.13840 -0.04239 -0.17077 -0.01589 -0.00604 6 3S -0.44395 -0.50468 0.97008 0.03628 0.58628 7 3PX 0.53353 -0.33246 -0.12781 -0.11921 0.67083 8 3PY 0.42541 -0.97612 0.88826 0.06394 0.75273 9 3PZ -0.70801 0.01290 0.40215 -0.11169 -0.06996 10 4XX -0.00520 0.04051 -0.03539 0.09813 -0.00480 11 4YY 0.01298 -0.08760 0.01309 -0.07438 -0.13176 12 4ZZ -0.06570 0.07180 0.05418 0.03086 0.12862 13 4XY 0.07362 -0.18450 0.00312 -0.13303 0.32582 14 4XZ -0.17223 0.00107 -0.05032 0.06309 0.27223 15 4YZ -0.08003 0.14510 0.20908 0.00604 -0.15733 16 2 H 1S 0.12518 -0.06734 0.08960 0.07400 0.18673 17 2S 0.24289 -0.38078 0.20609 0.02523 0.22364 18 3 C 1S 0.01892 -0.00043 0.00094 0.00836 0.01258 19 2S 0.22497 -0.01812 -0.06789 0.00587 -0.08416 20 2PX 0.02529 -0.08609 0.03183 -0.02264 0.06471 21 2PY 0.00114 -0.13930 -0.02655 -0.02048 -0.08705 22 2PZ -0.01719 0.13911 -0.04258 0.04986 -0.07166 23 3S -1.53516 0.24400 -0.06258 -0.13260 -1.12829 24 3PX 0.78292 -0.31262 0.26274 0.04477 0.37682 25 3PY -0.35085 0.45285 -0.22637 0.08682 -0.41863 26 3PZ -0.70193 0.30865 -0.31783 -0.02358 -0.51220 27 4XX 0.01364 0.06667 -0.10102 -0.01198 -0.01203 28 4YY -0.01431 0.10907 0.15953 0.05112 -0.12332 29 4ZZ -0.04884 -0.18442 -0.06241 -0.00663 0.09928 30 4XY 0.03162 -0.03066 -0.07806 -0.01166 -0.03820 31 4XZ -0.11609 0.24977 -0.06133 0.18934 -0.02564 32 4YZ 0.00727 -0.12345 0.13557 -0.01601 0.00551 33 4 H 1S -0.14471 0.32870 -0.20662 0.11306 -0.13482 34 2S -0.26682 0.17084 -0.14681 -0.01091 -0.19485 35 5 C 1S -0.01894 -0.00039 0.00094 0.00838 -0.01256 36 2S -0.22516 -0.01767 -0.06792 0.00574 0.08399 37 2PX -0.02549 -0.08604 0.03184 -0.02254 -0.06464 38 2PY 0.00147 0.13922 0.02661 0.02058 -0.08705 39 2PZ 0.01755 0.13910 -0.04258 0.04974 0.07167 40 3S 1.53634 0.24132 -0.06324 -0.13443 1.12813 41 3PX -0.78419 -0.31108 0.26292 0.04541 -0.37654 42 3PY -0.35262 -0.45239 0.22700 -0.08607 -0.41873 43 3PZ 0.70309 0.30726 -0.31819 -0.02434 0.51184 44 4XX -0.01320 0.06673 -0.10106 -0.01205 0.01190 45 4YY 0.01439 0.10902 0.15956 0.05090 0.12353 46 4ZZ 0.04830 -0.18454 -0.06240 -0.00641 -0.09933 47 4XY 0.03163 0.03050 0.07806 0.01163 -0.03819 48 4XZ 0.11678 0.24948 -0.06125 0.18929 0.02578 49 4YZ 0.00763 0.12355 -0.13553 0.01606 0.00558 50 6 H 1S 0.14570 0.32840 -0.20671 0.11286 0.13486 51 2S 0.26748 0.17034 -0.14700 -0.01125 0.19470 52 7 C 1S -0.00308 0.01194 -0.00706 0.00101 0.01128 53 2S -0.00483 0.15185 -0.42520 -0.02393 -0.04460 54 2PX -0.04224 0.04702 0.12662 0.06824 0.05441 55 2PY -0.10144 -0.13703 0.11938 -0.04516 0.03177 56 2PZ 0.13852 -0.04275 -0.17071 -0.01592 0.00596 57 3S 0.44211 -0.50652 0.97178 0.03681 -0.58551 58 3PX -0.53460 -0.33163 -0.12773 -0.11812 -0.67126 59 3PY 0.42911 0.97562 -0.88894 -0.06500 0.75172 60 3PZ 0.70795 0.01149 0.40246 -0.11198 0.07020 61 4XX 0.00526 0.04044 -0.03538 0.09815 0.00485 62 4YY -0.01306 -0.08744 0.01313 -0.07467 0.13174 63 4ZZ 0.06574 0.07158 0.05417 0.03113 -0.12854 64 4XY 0.07400 0.18445 -0.00330 0.13247 0.32609 65 4XZ 0.17230 0.00063 -0.05001 0.06360 -0.27216 66 4YZ -0.08018 -0.14493 -0.20907 -0.00578 -0.15733 67 8 H 1S -0.12568 -0.06709 0.08957 0.07439 -0.18645 68 2S -0.24444 -0.38035 0.20610 0.02556 -0.22336 69 9 C 1S 0.11808 -0.00329 0.01114 -0.00626 0.01911 70 2S 1.49042 -0.00607 0.23363 -0.11608 -0.01461 71 2PX -0.01654 -0.04652 -0.03199 -0.01832 -0.12901 72 2PY 0.06092 -0.07642 -0.22623 -0.02126 0.02914 73 2PZ -0.13128 0.07937 0.07382 0.02120 0.02321 74 3S -5.13863 0.20392 -0.75382 0.29846 0.00033 75 3PX -0.06293 0.30901 -0.03896 0.03711 1.40623 76 3PY 0.89203 -0.05481 0.27074 0.11088 -0.15540 77 3PZ 0.62862 -0.20466 0.26465 -0.00292 0.06369 78 4XX 0.01208 -0.02522 0.12908 0.03956 -0.20124 79 4YY -0.03052 -0.21961 -0.19401 -0.02364 -0.05264 80 4ZZ 0.06076 0.25621 0.05524 -0.01291 0.27041 81 4XY 0.04824 0.08616 0.08565 0.00186 -0.21765 82 4XZ -0.13845 -0.16256 0.01437 0.00453 -0.08134 83 4YZ 0.12209 0.19786 -0.33784 -0.00151 0.08976 84 10 H 1S 0.42913 -0.09124 0.02969 -0.04421 -0.13405 85 2S 0.24896 -0.03486 0.00043 -0.04847 -0.33678 86 11 H 1S 0.37831 0.00227 0.03897 -0.01387 0.33230 87 2S 0.27010 0.16285 -0.00785 -0.11844 0.38799 88 12 C 1S -0.11809 -0.00301 0.01108 -0.00621 -0.01910 89 2S -1.49061 -0.00251 0.23284 -0.11592 0.01457 90 2PX 0.01647 -0.04652 -0.03208 -0.01855 0.12899 91 2PY 0.06080 0.07624 0.22625 0.02117 0.02928 92 2PZ 0.13150 0.07912 0.07392 0.02125 -0.02316 93 3S 5.13944 0.19129 -0.75067 0.29758 -0.00036 94 3PX 0.06380 0.30828 -0.03811 0.03945 -1.40612 95 3PY 0.89291 0.05263 -0.27043 -0.11076 -0.15578 96 3PZ -0.62918 -0.20313 0.26409 -0.00273 -0.06358 97 4XX -0.01246 -0.02508 0.12892 0.03919 0.20140 98 4YY 0.03015 -0.21960 -0.19417 -0.02375 0.05259 99 4ZZ -0.05995 0.25615 0.05554 -0.01239 -0.27053 100 4XY 0.04806 -0.08627 -0.08548 -0.00146 -0.21789 101 4XZ 0.13809 -0.16296 0.01444 0.00439 0.08147 102 4YZ 0.12105 -0.19834 0.33780 0.00126 0.09021 103 13 H 1S -0.37831 0.00307 0.03894 -0.01324 -0.33218 104 2S -0.26957 0.16336 -0.00779 -0.11778 -0.38825 105 14 H 1S -0.42940 -0.09016 0.02939 -0.04439 0.13398 106 2S -0.24892 -0.03406 0.00003 -0.04899 0.33664 107 15 C 1S 0.00486 -0.00190 0.00638 0.02050 0.00858 108 2S 0.13326 -0.01416 0.01667 0.32831 0.12208 109 2PX 0.01809 0.07176 -0.04347 -0.14773 0.01826 110 2PY 0.08892 -0.11927 0.01715 -0.02264 -0.07420 111 2PZ 0.10308 -0.03912 -0.01532 0.21272 0.02845 112 3S -0.92735 -0.34552 0.17445 -0.36425 -0.78544 113 3PX 0.54641 -0.10375 -0.08586 0.06650 -0.07535 114 3PY -0.91899 0.55342 -0.25539 0.00466 -0.73963 115 3PZ -0.88451 0.26322 -0.09698 -0.16356 -0.28400 116 4XX 0.04259 0.03714 -0.01672 -0.08421 0.03706 117 4YY 0.01338 0.00450 0.04333 0.12582 -0.02997 118 4ZZ -0.11329 -0.05383 -0.04227 -0.05196 -0.00690 119 4XY 0.12219 -0.14170 0.05426 0.20979 -0.07059 120 4XZ -0.08457 0.06002 -0.15351 0.25009 -0.04732 121 4YZ -0.00229 0.05330 0.00490 -0.28345 0.06171 122 16 H 1S -0.11972 0.08033 -0.09222 0.28903 -0.13020 123 2S -0.55038 0.35059 -0.09627 -0.10402 -0.16274 124 17 C 1S -0.00488 -0.00189 0.00639 0.02053 -0.00854 125 2S -0.13332 -0.01378 0.01660 0.32869 -0.12158 126 2PX -0.01793 0.07181 -0.04349 -0.14772 -0.01849 127 2PY 0.08925 0.11904 -0.01703 0.02263 -0.07416 128 2PZ -0.10316 -0.03886 -0.01537 0.21281 -0.02810 129 3S 0.92739 -0.34798 0.17483 -0.36618 0.78481 130 3PX -0.54692 -0.10229 -0.08643 0.06675 0.07536 131 3PY -0.92007 -0.55121 0.25501 -0.00336 -0.73964 132 3PZ 0.88499 0.26104 -0.09647 -0.16415 0.28351 133 4XX -0.04262 0.03721 -0.01665 -0.08412 -0.03716 134 4YY -0.01327 0.00457 0.04329 0.12567 0.03025 135 4ZZ 0.11309 -0.05412 -0.04224 -0.05187 0.00667 136 4XY 0.12213 0.14137 -0.05410 -0.20989 -0.07094 137 4XZ 0.08456 0.05985 -0.15347 0.25010 0.04757 138 4YZ -0.00255 -0.05327 -0.00494 0.28344 0.06237 139 18 H 1S 0.11972 0.08008 -0.09216 0.28893 0.13078 140 2S 0.55099 0.34927 -0.09596 -0.10431 0.16251 141 19 O 1S -0.01138 0.01524 0.02394 0.00756 0.01046 142 2S -0.05770 0.29373 0.31528 0.21831 0.09275 143 2PX 0.02112 0.02641 -0.01665 0.03381 0.01611 144 2PY 0.06154 0.07294 -0.03768 0.05291 -0.05460 145 2PZ 0.04487 0.01494 -0.01059 0.00979 -0.01667 146 3S 0.55250 -0.83132 -1.14062 -0.54610 -0.25987 147 3PX 0.03674 0.16328 0.01046 -0.12626 0.01779 148 3PY 0.05904 -0.45326 -0.22491 -0.18788 0.06255 149 3PZ -0.02325 -0.23873 0.04081 -0.00196 0.05345 150 4XX -0.00248 0.03851 0.05495 -0.01862 -0.03677 151 4YY -0.12565 0.05511 0.19899 0.09805 0.24197 152 4ZZ 0.04516 0.09597 -0.06054 0.05755 -0.11865 153 4XY -0.05081 -0.08174 0.12180 0.04896 0.11683 154 4XZ -0.16328 -0.08879 -0.17030 0.11517 -0.00221 155 4YZ 0.00555 0.06715 0.06602 -0.11026 -0.01134 156 20 O 1S 0.01144 0.01520 0.02396 0.00756 -0.01043 157 2S 0.05867 0.29346 0.31561 0.21842 -0.09239 158 2PX -0.02101 0.02645 -0.01662 0.03390 -0.01609 159 2PY 0.06148 -0.07307 0.03768 -0.05290 -0.05464 160 2PZ -0.04488 0.01502 -0.01058 0.00976 0.01668 161 3S -0.55551 -0.82965 -1.14165 -0.54610 0.25872 162 3PX -0.03683 0.16336 0.01038 -0.12627 -0.01804 163 3PY 0.06002 0.45307 0.22511 0.18781 0.06286 164 3PZ 0.02313 -0.23868 0.04086 -0.00193 -0.05343 165 4XX 0.00258 0.03850 0.05493 -0.01867 0.03674 166 4YY 0.12601 0.05474 0.19930 0.09819 -0.24176 167 4ZZ -0.04496 0.09606 -0.06059 0.05752 0.11871 168 4XY -0.05079 0.08189 -0.12188 -0.04905 0.11672 169 4XZ 0.16287 -0.08914 -0.17029 0.11506 0.00232 170 4YZ 0.00553 -0.06719 -0.06589 0.11022 -0.01126 171 21 C 1S -0.00001 -0.01185 -0.03092 -0.03417 -0.00003 172 2S -0.00032 -0.20676 -0.51137 -0.29477 -0.00037 173 2PX 0.00002 0.04249 -0.08908 -0.06964 -0.00012 174 2PY 0.06187 -0.00008 0.00007 -0.00003 -0.00953 175 2PZ -0.00005 -0.07748 -0.00973 0.01350 0.00000 176 3S 0.00140 1.20676 1.46414 0.96927 0.00097 177 3PX 0.00030 0.20349 0.45038 0.55703 0.00065 178 3PY 0.12073 -0.00018 0.00017 0.00009 -0.14107 179 3PZ -0.00023 -0.08997 -0.41714 -0.10203 -0.00009 180 4XX -0.00004 -0.10007 0.13449 0.30883 0.00032 181 4YY 0.00019 0.25574 0.00749 -0.48748 -0.00043 182 4ZZ -0.00012 -0.13628 -0.13180 0.21356 0.00015 183 4XY 0.13009 -0.00017 0.00004 0.00004 0.02232 184 4XZ -0.00002 0.09884 -0.14019 -0.23972 -0.00022 185 4YZ 0.06597 0.00000 0.00002 -0.00023 0.14512 186 22 H 1S -0.00008 -0.06832 -0.16031 -0.14481 -0.00014 187 2S -0.00011 -0.09125 -0.06150 0.11140 0.00017 188 23 H 1S 0.00002 -0.02374 0.00168 -0.27227 -0.00021 189 2S -0.00019 -0.17705 -0.04605 -0.02653 -0.00005 136 137 138 139 140 V V V V V Eigenvalues -- 1.89941 1.91560 1.93146 1.96922 1.98780 1 1 C 1S -0.00016 0.00317 0.01050 -0.00562 0.03543 2 2S 0.01963 -0.10861 0.11920 0.33943 0.56094 3 2PX -0.01198 -0.05765 0.01333 0.13471 -0.06326 4 2PY 0.10218 0.00111 0.03243 0.18449 0.13434 5 2PZ 0.05636 0.00268 0.00405 -0.04162 0.02420 6 3S 0.18057 -0.15502 -0.64980 -0.25209 -1.77451 7 3PX 0.03634 -0.25237 -0.14084 -0.29470 0.09166 8 3PY -0.15112 -0.31726 -0.17451 -0.15551 0.17413 9 3PZ -0.11461 0.23698 0.01225 -0.08336 -0.02640 10 4XX 0.07340 -0.08277 0.05860 0.12526 0.23738 11 4YY -0.22347 -0.03073 -0.06669 0.02534 -0.40905 12 4ZZ 0.14891 0.06171 0.00525 -0.09030 0.10459 13 4XY 0.09199 -0.03205 -0.05134 -0.31164 -0.17994 14 4XZ 0.11952 -0.26603 -0.06470 0.09458 -0.15606 15 4YZ 0.03451 0.00900 -0.02361 -0.04463 -0.08834 16 2 H 1S 0.10132 0.00426 0.08129 0.04614 0.57722 17 2S -0.12129 -0.14059 -0.02700 -0.02823 0.09847 18 3 C 1S 0.00155 -0.01460 -0.00238 0.00232 -0.00123 19 2S -0.01396 -0.36612 -0.05360 -0.04990 -0.00560 20 2PX -0.00620 0.04309 0.01608 -0.00542 0.03580 21 2PY 0.02533 -0.10232 0.05243 -0.13437 0.20613 22 2PZ -0.01289 0.00698 -0.01638 -0.01093 -0.03681 23 3S 0.05641 0.68176 0.42395 0.14381 0.10178 24 3PX -0.03478 -0.28078 -0.24787 0.11569 -0.43417 25 3PY 0.16786 0.08305 -0.00871 0.14637 -0.40524 26 3PZ 0.18228 0.24061 0.28588 -0.04771 0.43464 27 4XX -0.06200 -0.19769 -0.02012 -0.20951 -0.08885 28 4YY -0.01652 0.22096 0.01381 0.22223 0.04987 29 4ZZ 0.08054 -0.11782 0.00552 -0.00145 0.01097 30 4XY 0.03977 0.07875 0.02575 -0.23770 0.10742 31 4XZ 0.06155 -0.15675 0.02284 0.11689 0.11551 32 4YZ -0.02436 -0.18267 -0.02857 0.23717 -0.17019 33 4 H 1S 0.09831 0.11295 0.06517 -0.16158 0.22806 34 2S 0.05229 0.01469 0.06614 0.00830 0.03971 35 5 C 1S -0.00154 -0.01459 0.00240 0.00232 0.00123 36 2S 0.01395 -0.36614 0.05390 -0.04989 0.00576 37 2PX 0.00621 0.04307 -0.01614 -0.00544 -0.03586 38 2PY 0.02529 0.10246 0.05235 0.13445 0.20601 39 2PZ 0.01291 0.00700 0.01639 -0.01090 0.03684 40 3S -0.05651 0.68115 -0.42454 0.14368 -0.10224 41 3PX 0.03477 -0.28042 0.24809 0.11592 0.43426 42 3PY 0.16798 -0.08330 -0.00861 -0.14643 -0.40503 43 3PZ -0.18231 0.24020 -0.28603 -0.04796 -0.43470 44 4XX 0.06198 -0.19761 0.02026 -0.20954 0.08897 45 4YY 0.01657 0.22079 -0.01397 0.22237 -0.04993 46 4ZZ -0.08057 -0.11772 -0.00542 -0.00157 -0.01103 47 4XY 0.03971 -0.07872 0.02582 0.23759 0.10728 48 4XZ -0.06148 -0.15681 -0.02265 0.11688 -0.11542 49 4YZ -0.02424 0.18269 -0.02871 -0.23718 -0.17010 50 6 H 1S -0.09820 0.11286 -0.06521 -0.16171 -0.22789 51 2S -0.05233 0.01463 -0.06613 0.00827 -0.03968 52 7 C 1S 0.00016 0.00314 -0.01050 -0.00564 -0.03543 53 2S -0.01983 -0.10888 -0.11905 0.33924 -0.56106 54 2PX 0.01195 -0.05767 -0.01329 0.13477 0.06316 55 2PY 0.10222 -0.00111 0.03240 -0.18435 0.13444 56 2PZ -0.05636 0.00271 -0.00403 -0.04172 -0.02409 57 3S -0.18004 -0.15352 0.64985 -0.25172 1.77458 58 3PX -0.03635 -0.25218 0.14105 -0.29465 -0.09138 59 3PY -0.15146 0.31692 -0.17459 0.15550 0.17389 60 3PZ 0.11482 0.23699 -0.01260 -0.08338 0.02628 61 4XX -0.07344 -0.08283 -0.05848 0.12499 -0.23724 62 4YY 0.22336 -0.03067 0.06670 0.02562 0.40905 63 4ZZ -0.14878 0.06172 -0.00535 -0.09034 -0.10476 64 4XY 0.09193 0.03193 -0.05136 0.31152 -0.18014 65 4XZ -0.11956 -0.26573 0.06490 0.09461 0.15597 66 4YZ 0.03460 -0.00901 -0.02356 0.04463 -0.08807 67 8 H 1S -0.10125 0.00410 -0.08131 0.04589 -0.57720 68 2S 0.12135 -0.14061 0.02706 -0.02819 -0.09839 69 9 C 1S -0.02078 0.03146 0.00471 -0.00046 -0.00261 70 2S -0.29249 -0.10087 0.04841 -0.16137 -0.10627 71 2PX -0.02454 0.01063 0.00470 0.02061 0.04358 72 2PY 0.02589 0.10298 0.03463 0.12200 0.10407 73 2PZ 0.03282 0.01255 0.02321 -0.03669 0.05665 74 3S 0.85943 -0.34556 -0.32446 0.25355 0.10818 75 3PX 0.33677 0.14989 -0.21925 0.19573 -0.55195 76 3PY -0.30572 -0.31183 -0.06177 -0.10314 -0.68734 77 3PZ -0.10440 0.00064 -0.05962 0.07184 -0.21191 78 4XX -0.08368 -0.30408 0.02487 -0.01123 -0.02469 79 4YY 0.00045 0.35037 -0.01863 0.22535 -0.02549 80 4ZZ 0.09751 -0.04377 -0.00704 -0.20775 0.08017 81 4XY -0.12236 0.19982 0.05696 0.15822 0.02260 82 4XZ 0.04162 -0.19924 -0.03669 0.09151 -0.13150 83 4YZ 0.07739 -0.03596 0.05710 0.09589 0.27424 84 10 H 1S -0.13493 0.18484 0.06159 -0.12270 0.11611 85 2S -0.09585 -0.03614 0.10361 -0.07516 0.29569 86 11 H 1S 0.01192 0.30379 -0.06244 0.11360 -0.14896 87 2S 0.06461 0.01622 0.08158 -0.02469 0.00914 88 12 C 1S 0.02080 0.03146 -0.00474 -0.00044 0.00259 89 2S 0.29258 -0.10104 -0.04840 -0.16100 0.10619 90 2PX 0.02451 0.01054 -0.00470 0.02060 -0.04353 91 2PY 0.02594 -0.10293 0.03468 -0.12198 0.10412 92 2PZ -0.03280 0.01254 -0.02322 -0.03681 -0.05660 93 3S -0.85991 -0.34495 0.32492 0.25242 -0.10783 94 3PX -0.33676 0.15088 0.21922 0.19592 0.55187 95 3PY -0.30572 0.31177 -0.06200 0.10263 -0.68755 96 3PZ 0.10447 0.00075 0.05961 0.07232 0.21173 97 4XX 0.08369 -0.30414 -0.02468 -0.01119 0.02471 98 4YY -0.00048 0.35035 0.01840 0.22537 0.02519 99 4ZZ -0.09748 -0.04368 0.00710 -0.20782 -0.07988 100 4XY -0.12234 -0.19970 0.05706 -0.15826 0.02250 101 4XZ -0.04163 -0.19934 0.03685 0.09151 0.13163 102 4YZ 0.07749 0.03617 0.05702 -0.09569 0.27419 103 13 H 1S -0.01185 0.30403 0.06226 0.11372 0.14892 104 2S -0.06460 0.01636 -0.08162 -0.02468 -0.00922 105 14 H 1S 0.13499 0.18467 -0.06177 -0.12267 -0.11625 106 2S 0.09581 -0.03645 -0.10362 -0.07529 -0.29567 107 15 C 1S 0.00530 0.00340 -0.00907 0.00205 -0.02181 108 2S 0.13072 -0.13533 0.07469 0.03269 -0.34324 109 2PX 0.00872 -0.01823 -0.07939 0.07365 -0.03528 110 2PY 0.15619 -0.01461 0.05449 0.05840 0.00250 111 2PZ 0.00040 -0.01828 0.05569 -0.03921 -0.06227 112 3S 0.42559 0.14044 0.16322 -0.13544 0.87034 113 3PX 0.04306 -0.09517 0.03531 -0.04857 0.04975 114 3PY 1.04386 0.03520 -0.10048 -0.04988 -0.17946 115 3PZ 0.52497 0.16797 0.02996 -0.07831 0.33304 116 4XX -0.01646 0.06398 -0.04660 -0.01667 0.00900 117 4YY 0.05684 0.02474 0.09193 -0.04843 -0.01249 118 4ZZ -0.02647 -0.05911 -0.00807 0.06761 0.02756 119 4XY 0.25336 0.01570 0.04365 0.06960 -0.10627 120 4XZ 0.19596 0.03151 0.10227 -0.15390 -0.02777 121 4YZ -0.03265 -0.12208 -0.02745 0.06833 -0.04549 122 16 H 1S 0.35447 0.11043 0.00030 -0.06090 -0.11509 123 2S 0.38222 0.03426 -0.03905 -0.00661 -0.02425 124 17 C 1S -0.00530 0.00343 0.00907 0.00207 0.02179 125 2S -0.13079 -0.13494 -0.07461 0.03273 0.34351 126 2PX -0.00881 -0.01808 0.07940 0.07363 0.03511 127 2PY 0.15633 0.01466 0.05454 -0.05836 0.00253 128 2PZ -0.00025 -0.01826 -0.05564 -0.03919 0.06230 129 3S -0.42563 0.13875 -0.16342 -0.13603 -0.86996 130 3PX -0.04314 -0.09513 -0.03522 -0.04848 -0.04948 131 3PY 1.04371 -0.03500 -0.10057 0.05044 -0.17886 132 3PZ -0.52465 0.16753 -0.03009 -0.07881 -0.33352 133 4XX 0.01634 0.06398 0.04650 -0.01662 -0.00920 134 4YY -0.05660 0.02462 -0.09186 -0.04840 0.01266 135 4ZZ 0.02631 -0.05909 0.00807 0.06757 -0.02761 136 4XY 0.25332 -0.01579 0.04366 -0.06951 -0.10611 137 4XZ -0.19574 0.03136 -0.10225 -0.15394 0.02794 138 4YZ -0.03248 0.12201 -0.02753 -0.06836 -0.04592 139 18 H 1S -0.35422 0.11048 -0.00032 -0.06099 0.11452 140 2S -0.38216 0.03429 0.03904 -0.00690 0.02402 141 19 O 1S -0.01213 0.00720 0.02581 -0.00290 0.00149 142 2S 0.03437 0.04025 -0.18833 -0.19338 -0.02281 143 2PX 0.01500 0.00329 0.18542 -0.06126 -0.07441 144 2PY 0.19588 -0.01191 -0.23637 -0.05192 -0.00447 145 2PZ 0.04058 -0.00395 -0.17081 0.01848 -0.01950 146 3S 0.10982 -0.23461 -0.04832 0.43710 -0.16369 147 3PX 0.00335 -0.10591 -0.25220 0.09357 -0.03117 148 3PY -0.34786 -0.02697 0.21557 0.16719 0.06430 149 3PZ -0.14953 0.04097 0.23338 0.00697 0.12114 150 4XX 0.08243 0.06545 -0.07024 -0.04293 0.02163 151 4YY -0.37614 0.01339 0.17273 -0.06113 0.03779 152 4ZZ 0.24224 -0.03325 -0.09354 0.01228 -0.04308 153 4XY -0.24540 -0.01691 -0.19246 0.04140 0.05503 154 4XZ -0.14221 -0.01286 -0.07073 -0.04399 0.11106 155 4YZ 0.12032 -0.01418 0.14408 0.00027 -0.06705 156 20 O 1S 0.01214 0.00718 -0.02582 -0.00289 -0.00151 157 2S -0.03427 0.04023 0.18820 -0.19334 0.02321 158 2PX -0.01495 0.00315 -0.18540 -0.06120 0.07455 159 2PY 0.19584 0.01177 -0.23643 0.05199 -0.00456 160 2PZ -0.04056 -0.00381 0.17075 0.01847 0.01929 161 3S -0.11005 -0.23403 0.04877 0.43712 0.16327 162 3PX -0.00351 -0.10557 0.25223 0.09351 0.03114 163 3PY -0.34777 0.02703 0.21555 -0.16731 0.06428 164 3PZ 0.14951 0.04070 -0.23334 0.00697 -0.12071 165 4XX -0.08241 0.06546 0.07018 -0.04294 -0.02167 166 4YY 0.37608 0.01319 -0.17284 -0.06101 -0.03765 167 4ZZ -0.24213 -0.03315 0.09364 0.01220 0.04306 168 4XY -0.24541 0.01682 -0.19244 -0.04145 0.05487 169 4XZ 0.14224 -0.01285 0.07071 -0.04406 -0.11083 170 4YZ 0.12049 0.01429 0.14401 -0.00031 -0.06726 171 21 C 1S 0.00000 0.00424 0.00000 0.00729 -0.00002 172 2S -0.00002 -0.02700 0.00003 0.06129 -0.00006 173 2PX -0.00003 -0.03246 -0.00001 -0.02103 0.00001 174 2PY 0.01693 0.00010 0.36054 -0.00003 -0.04157 175 2PZ 0.00000 -0.00648 0.00006 0.00442 -0.00001 176 3S 0.00003 -0.04009 -0.00015 -0.39838 0.00026 177 3PX 0.00012 0.12008 -0.00003 -0.12717 -0.00021 178 3PY 0.08374 -0.00007 -0.25671 0.00002 0.09387 179 3PZ 0.00005 0.07912 -0.00002 0.02965 -0.00031 180 4XX 0.00009 0.05017 0.00000 -0.04013 0.00013 181 4YY -0.00012 -0.01196 -0.00011 0.06066 -0.00012 182 4ZZ 0.00004 -0.02433 0.00012 -0.02107 -0.00002 183 4XY 0.03453 -0.00019 -0.56072 0.00004 0.10081 184 4XZ -0.00005 -0.02324 -0.00009 0.04312 0.00007 185 4YZ -0.01757 0.00011 0.43952 -0.00003 -0.13824 186 22 H 1S -0.00002 0.01294 0.00003 0.02405 -0.00021 187 2S 0.00006 0.07934 0.00000 0.01489 -0.00014 188 23 H 1S -0.00004 0.01426 0.00000 0.05786 0.00004 189 2S -0.00002 -0.05464 0.00003 0.06036 0.00011 141 142 143 144 145 V V V V V Eigenvalues -- 1.99395 2.00536 2.02757 2.03242 2.05748 1 1 C 1S -0.01555 0.00905 -0.00023 0.02153 -0.02765 2 2S -0.02443 0.09642 -0.09312 -0.05635 -0.75011 3 2PX 0.01519 0.04387 -0.07439 0.06550 0.05494 4 2PY 0.05070 0.01643 -0.04132 -0.04817 -0.12224 5 2PZ 0.00150 -0.08137 0.08969 -0.18068 -0.02829 6 3S 0.40620 -0.32161 -0.04666 0.04500 2.04267 7 3PX -0.24477 0.11245 -0.01916 0.22934 0.07195 8 3PY -0.35637 0.03478 -0.05947 0.62236 1.15714 9 3PZ 0.00785 0.20656 -0.21046 0.59198 -0.18717 10 4XX -0.04385 -0.07019 0.02442 -0.08777 0.05267 11 4YY 0.01203 0.01243 0.04131 -0.14536 -0.19815 12 4ZZ 0.01099 0.08742 -0.07739 0.26501 0.21902 13 4XY 0.09078 0.02315 -0.09331 -0.03601 -0.02452 14 4XZ 0.07436 0.01281 -0.08425 0.02640 0.08498 15 4YZ 0.05278 0.07026 -0.09948 0.33123 -0.03270 16 2 H 1S -0.17229 0.04734 -0.00926 0.23098 0.16140 17 2S -0.15711 0.03290 -0.06437 0.19705 0.23895 18 3 C 1S -0.00574 -0.00133 -0.00904 0.00810 0.03543 19 2S -0.01443 -0.00755 -0.14549 0.50226 0.26452 20 2PX 0.01026 0.00342 0.02172 -0.12986 -0.00874 21 2PY 0.00213 -0.02229 0.00390 0.11089 0.16726 22 2PZ 0.00459 0.00884 0.02475 0.11745 0.06504 23 3S 0.17785 0.12239 0.12956 -1.61174 -1.27990 24 3PX -0.03745 -0.00439 -0.17150 0.45809 0.49114 25 3PY 0.01881 -0.02882 0.05792 -0.89027 -0.10445 26 3PZ 0.01741 -0.08391 0.12105 -0.56265 -0.43551 27 4XX 0.02959 0.00961 0.06003 -0.00729 0.07207 28 4YY -0.06482 0.05172 -0.05594 0.12232 -0.12217 29 4ZZ 0.05140 -0.07336 -0.00421 -0.12247 0.15320 30 4XY -0.07477 -0.08271 0.10328 0.11484 0.11547 31 4XZ -0.02920 0.03378 -0.02813 0.11828 0.34491 32 4YZ 0.07368 0.05751 -0.13187 0.01946 -0.20130 33 4 H 1S -0.08799 -0.05702 0.11066 0.05265 0.25949 34 2S 0.00650 -0.03006 0.03452 -0.27052 -0.18696 35 5 C 1S -0.00574 -0.00134 -0.00907 -0.00811 0.03541 36 2S -0.01468 -0.00751 -0.14769 -0.50215 0.26348 37 2PX 0.01030 0.00336 0.02229 0.12980 -0.00844 38 2PY -0.00186 0.02237 -0.00343 0.11124 -0.16706 39 2PZ 0.00456 0.00888 0.02423 -0.11767 0.06476 40 3S 0.17821 0.12276 0.13654 1.61292 -1.27651 41 3PX -0.03706 -0.00437 -0.17346 -0.45788 0.49020 42 3PY -0.01971 0.02873 -0.06188 -0.89047 0.10284 43 3PZ 0.01705 -0.08391 0.12338 0.56253 -0.43429 44 4XX 0.02966 0.00959 0.06014 0.00681 0.07203 45 4YY -0.06488 0.05177 -0.05655 -0.12176 -0.12253 46 4ZZ 0.05142 -0.07337 -0.00370 0.12221 0.15361 47 4XY 0.07496 0.08278 -0.10274 0.11552 -0.11536 48 4XZ -0.02935 0.03377 -0.02871 -0.11866 0.34457 49 4YZ -0.07389 -0.05752 0.13197 0.01847 0.20125 50 6 H 1S -0.08827 -0.05712 0.11042 -0.05352 0.25935 51 2S 0.00654 -0.03004 0.03566 0.27065 -0.18641 52 7 C 1S -0.01561 0.00904 -0.00032 -0.02150 -0.02769 53 2S -0.02509 0.09626 -0.09287 0.05790 -0.74996 54 2PX 0.01523 0.04392 -0.07470 -0.06527 0.05476 55 2PY -0.05057 -0.01637 0.04106 -0.04861 0.12221 56 2PZ 0.00153 -0.08140 0.09052 0.18037 -0.02799 57 3S 0.40837 -0.32120 -0.04671 -0.04768 2.04217 58 3PX -0.24485 0.11208 -0.02014 -0.22931 0.07194 59 3PY 0.35658 -0.03442 0.06217 0.62367 -1.15584 60 3PZ 0.00754 0.20674 -0.21312 -0.59076 -0.18854 61 4XX -0.04403 -0.07024 0.02485 0.08765 0.05265 62 4YY 0.01249 0.01271 0.04192 0.14527 -0.19785 63 4ZZ 0.01077 0.08725 -0.07854 -0.26484 0.21864 64 4XY -0.09106 -0.02312 0.09318 -0.03642 0.02436 65 4XZ 0.07452 0.01287 -0.08436 -0.02625 0.08484 66 4YZ -0.05269 -0.07031 0.10101 0.33089 0.03314 67 8 H 1S -0.17295 0.04702 -0.01025 -0.23109 0.16095 68 2S -0.15726 0.03275 -0.06525 -0.19702 0.23864 69 9 C 1S 0.00784 0.00142 -0.00866 -0.01848 0.02130 70 2S 0.26315 -0.11130 0.05788 0.38435 -0.16833 71 2PX -0.05778 -0.04666 0.04299 0.00248 -0.02164 72 2PY -0.03662 0.00081 -0.02490 0.01317 0.00564 73 2PZ -0.04895 0.03609 -0.01061 -0.24407 0.12656 74 3S -0.43639 0.10727 0.13562 0.11999 -0.50267 75 3PX 0.17631 -0.10405 0.02156 0.55078 -0.05918 76 3PY -0.09453 0.00860 0.08024 -0.05730 -0.00178 77 3PZ 0.14996 -0.11619 -0.00512 0.45025 0.14857 78 4XX 0.02844 -0.09306 0.12397 0.04443 -0.14275 79 4YY -0.04896 0.05537 -0.11550 0.11515 0.15836 80 4ZZ 0.00035 0.02982 -0.00955 -0.20888 0.04177 81 4XY -0.04374 -0.16244 0.11004 -0.31009 0.05151 82 4XZ -0.08012 -0.08920 0.03537 0.20137 0.09391 83 4YZ 0.06714 -0.07277 0.05267 -0.02406 -0.17338 84 10 H 1S 0.04014 0.14973 -0.12245 -0.13577 0.04979 85 2S -0.05038 -0.00708 0.03234 -0.17437 0.03249 86 11 H 1S -0.01380 -0.07587 -0.01626 0.04761 0.17565 87 2S 0.15279 -0.06551 0.01108 0.12490 -0.04667 88 12 C 1S 0.00786 0.00141 -0.00857 0.01848 0.02134 89 2S 0.26316 -0.11136 0.05615 -0.38437 -0.16888 90 2PX -0.05784 -0.04664 0.04298 -0.00264 -0.02168 91 2PY 0.03672 -0.00076 0.02497 0.01301 -0.00567 92 2PZ -0.04892 0.03612 -0.00951 0.24395 0.12693 93 3S -0.43672 0.10741 0.13517 -0.11969 -0.50335 94 3PX 0.17682 -0.10432 0.01914 -0.55108 -0.05990 95 3PY 0.09384 -0.00896 -0.08042 -0.05697 0.00151 96 3PZ 0.15013 -0.11637 -0.00712 -0.45051 0.14807 97 4XX 0.02844 -0.09296 0.12374 -0.04446 -0.14285 98 4YY -0.04896 0.05536 -0.11599 -0.11490 0.15806 99 4ZZ 0.00035 0.02973 -0.00861 0.20860 0.04226 100 4XY 0.04370 0.16238 -0.11141 -0.30934 -0.05204 101 4XZ -0.08006 -0.08910 0.03446 -0.20175 0.09359 102 4YZ -0.06694 0.07295 -0.05277 -0.02418 0.17330 103 13 H 1S -0.01362 -0.07593 -0.01645 -0.04803 0.17565 104 2S 0.15282 -0.06567 0.01051 -0.12499 -0.04688 105 14 H 1S 0.04006 0.14973 -0.12182 0.13626 0.04994 106 2S -0.05066 -0.00704 0.03310 0.17427 0.03271 107 15 C 1S 0.01151 0.00033 0.00606 -0.01068 0.02038 108 2S -0.26167 0.18631 0.25491 -0.24374 0.28505 109 2PX 0.11815 -0.01578 0.04844 -0.04610 0.09271 110 2PY -0.07047 0.22672 0.21220 -0.00069 0.02949 111 2PZ -0.02511 0.02354 0.04361 -0.01443 -0.00925 112 3S -0.56305 0.27412 -0.24590 0.48729 -0.86277 113 3PX -0.27360 0.11833 -0.21785 0.35589 -0.14750 114 3PY 0.79777 -0.53503 -0.14795 -0.34004 0.13370 115 3PZ 0.47174 -0.04814 0.00740 -0.05087 -0.32696 116 4XX 0.16093 0.11983 0.27722 0.10688 -0.13120 117 4YY -0.04455 -0.35585 -0.36430 -0.01166 0.04685 118 4ZZ -0.09046 0.29869 0.10755 -0.09355 0.02682 119 4XY 0.15793 -0.02667 0.09072 -0.03513 0.04366 120 4XZ -0.10187 0.02085 -0.10167 -0.04730 -0.30444 121 4YZ -0.42123 0.02295 -0.13033 -0.00447 0.03778 122 16 H 1S 0.59435 -0.11028 0.18386 -0.13461 -0.02519 123 2S 0.33409 -0.18969 -0.05854 -0.12228 0.08194 124 17 C 1S 0.01156 0.00033 0.00611 0.01062 0.02040 125 2S -0.26089 0.18636 0.25598 0.24239 0.28522 126 2PX 0.11824 -0.01576 0.04869 0.04571 0.09267 127 2PY 0.07054 -0.22669 -0.21217 0.00027 -0.02949 128 2PZ -0.02502 0.02349 0.04359 0.01424 -0.00924 129 3S -0.56595 0.27418 -0.24858 -0.48499 -0.86261 130 3PX -0.27342 0.11817 -0.21943 -0.35466 -0.14816 131 3PY -0.79755 0.53484 0.14684 -0.34025 -0.13448 132 3PZ 0.47102 -0.04812 0.00749 0.05097 -0.32652 133 4XX 0.16091 0.11980 0.27678 -0.10800 -0.13129 134 4YY -0.04476 -0.35584 -0.36434 0.01328 0.04689 135 4ZZ -0.09027 0.29870 0.10800 0.09303 0.02696 136 4XY -0.15809 0.02671 -0.09082 -0.03463 -0.04362 137 4XZ -0.10184 0.02084 -0.10159 0.04819 -0.30415 138 4YZ 0.42112 -0.02311 0.13016 -0.00524 -0.03778 139 18 H 1S 0.59454 -0.11031 0.18437 0.13354 -0.02490 140 2S 0.33411 -0.18963 -0.05810 0.12233 0.08218 141 19 O 1S 0.02038 0.01465 0.02131 0.00621 -0.00629 142 2S -0.30174 0.31645 0.17959 0.09168 -0.27858 143 2PX -0.08745 0.01212 -0.24318 0.05082 -0.08602 144 2PY -0.05578 0.03148 0.04448 -0.04362 -0.02646 145 2PZ 0.16022 0.13272 0.06689 0.02892 0.07421 146 3S 0.27874 -0.91061 -0.68621 -0.23017 0.72736 147 3PX 0.01669 -0.09366 0.45728 -0.16899 0.23016 148 3PY -0.12614 -0.21460 -0.29130 0.06638 0.11835 149 3PZ -0.35279 -0.36512 -0.00137 -0.01911 -0.17282 150 4XX 0.04907 0.10215 -0.01515 -0.06867 -0.03573 151 4YY -0.10554 0.14756 0.01024 0.12709 -0.07513 152 4ZZ 0.00967 -0.09996 0.12786 -0.01031 -0.01701 153 4XY -0.15783 -0.08148 0.25591 0.07578 0.00270 154 4XZ -0.17862 -0.01489 -0.00097 -0.11078 -0.03804 155 4YZ -0.08302 -0.31919 0.06052 -0.00468 -0.02978 156 20 O 1S 0.02037 0.01465 0.02128 -0.00631 -0.00629 157 2S -0.30190 0.31646 0.17909 -0.09199 -0.27841 158 2PX -0.08737 0.01211 -0.24345 -0.04957 -0.08601 159 2PY 0.05576 -0.03151 -0.04466 -0.04346 0.02629 160 2PZ 0.16025 0.13272 0.06676 -0.02942 0.07414 161 3S 0.27960 -0.91061 -0.68497 0.23218 0.72696 162 3PX 0.01689 -0.09364 0.45808 0.16664 0.23019 163 3PY 0.12613 0.21469 0.29146 0.06515 -0.11798 164 3PZ -0.35300 -0.36508 -0.00120 0.01958 -0.17275 165 4XX 0.04897 0.10217 -0.01485 0.06877 -0.03559 166 4YY -0.10564 0.14744 0.00972 -0.12698 -0.07527 167 4ZZ 0.00976 -0.09984 0.12783 0.00973 -0.01695 168 4XY 0.15793 0.08147 -0.25566 0.07680 -0.00256 169 4XZ -0.17865 -0.01485 -0.00054 0.11092 -0.03789 170 4YZ 0.08295 0.31927 -0.06053 -0.00457 0.02973 171 21 C 1S 0.02940 -0.04190 -0.03797 0.00008 0.00108 172 2S 0.07117 -0.17175 0.01529 -0.00008 0.01816 173 2PX -0.04651 0.11697 0.10137 -0.00021 -0.02121 174 2PY -0.00004 0.00002 0.00006 0.01676 0.00004 175 2PZ -0.02185 0.00033 -0.15518 0.00035 0.00194 176 3S -0.35521 1.27311 1.12852 -0.00237 -0.13845 177 3PX 0.34976 0.75672 -0.42979 0.00079 0.09325 178 3PY 0.00001 -0.00005 0.00000 -0.01289 -0.00003 179 3PZ 0.47641 0.50771 -0.50247 0.00079 0.25047 180 4XX -0.11516 -0.31200 0.26259 -0.00045 -0.12454 181 4YY 0.26404 -0.04647 -0.11499 0.00019 0.02641 182 4ZZ -0.12367 0.37011 -0.11505 0.00019 0.09023 183 4XY 0.00006 -0.00001 -0.00007 -0.00300 0.00000 184 4XZ -0.12838 0.07581 0.31752 -0.00072 0.03091 185 4YZ -0.00003 -0.00004 0.00014 0.06103 0.00004 186 22 H 1S 0.28855 0.20535 -0.56653 0.00110 0.11196 187 2S 0.23835 0.14079 -0.25697 0.00045 0.08207 188 23 H 1S 0.05243 -0.64114 0.05339 -0.00001 -0.10581 189 2S -0.22932 -0.24756 0.04518 -0.00001 -0.04904 146 147 148 149 150 V V V V V Eigenvalues -- 2.10421 2.12863 2.15875 2.16383 2.21803 1 1 C 1S -0.02262 -0.00285 -0.01335 -0.00060 0.00117 2 2S -0.28835 -0.12872 0.05110 -0.25190 -0.04562 3 2PX -0.09222 0.00844 0.03181 -0.01139 -0.00964 4 2PY -0.00364 -0.03952 0.10873 -0.08022 0.02193 5 2PZ 0.20419 0.02865 0.08230 0.04448 0.01049 6 3S 0.80679 0.14003 0.19397 0.23016 -0.02679 7 3PX -0.02132 -0.44003 -0.47310 -0.16099 -0.13120 8 3PY 0.36585 -0.16719 -0.46240 0.19072 -0.14457 9 3PZ -0.12214 -0.07149 -0.31406 -0.14464 0.06049 10 4XX 0.24520 -0.01315 0.19268 0.07267 0.20227 11 4YY -0.15396 0.11699 -0.04103 0.06920 -0.10881 12 4ZZ -0.07717 -0.14226 -0.15631 -0.11113 -0.09136 13 4XY -0.00817 -0.09983 -0.22911 -0.14941 -0.01251 14 4XZ -0.02495 -0.08064 0.17288 -0.10437 0.00991 15 4YZ -0.05490 -0.06531 0.00790 -0.08165 -0.00053 16 2 H 1S 0.10851 -0.12936 -0.07820 -0.01433 0.03996 17 2S 0.03014 -0.12284 -0.22496 0.02291 -0.11020 18 3 C 1S -0.00795 -0.00609 -0.00177 0.00045 -0.00474 19 2S -0.44340 0.00464 0.07845 -0.06348 0.04762 20 2PX 0.05490 0.00760 -0.09595 0.02414 -0.02560 21 2PY -0.12800 0.03905 0.01383 0.01495 0.06590 22 2PZ -0.04910 0.00110 0.06797 -0.00119 -0.01319 23 3S 0.00035 0.28549 0.39790 -0.04453 0.13921 24 3PX -0.15781 -0.05359 -0.07469 -0.03407 -0.20528 25 3PY 0.26914 -0.14602 0.31055 -0.01715 -0.00557 26 3PZ 0.13271 0.14802 0.12734 0.09086 0.00807 27 4XX -0.04272 -0.03916 0.08184 0.01263 0.13531 28 4YY 0.26011 -0.11072 0.06705 -0.04008 0.04840 29 4ZZ -0.24226 0.17206 -0.08225 0.05716 -0.20571 30 4XY 0.21007 0.01480 -0.12392 0.07832 -0.14205 31 4XZ -0.01131 -0.15257 0.17614 -0.05126 0.00379 32 4YZ -0.11680 -0.02523 -0.08646 -0.09771 -0.22673 33 4 H 1S 0.21329 -0.08241 0.11105 0.05954 0.07919 34 2S 0.04730 0.03345 0.05289 0.03307 0.00981 35 5 C 1S -0.00797 -0.00609 0.00174 0.00045 0.00472 36 2S -0.44352 0.00454 -0.07867 -0.06362 -0.04773 37 2PX 0.05486 0.00774 0.09593 0.02428 0.02559 38 2PY 0.12799 -0.03907 0.01405 -0.01494 0.06592 39 2PZ -0.04907 0.00102 -0.06799 -0.00128 0.01319 40 3S 0.00173 0.28448 -0.39685 -0.04471 -0.13871 41 3PX -0.15826 -0.05339 0.07425 -0.03420 0.20508 42 3PY -0.26950 0.14624 0.31049 0.01750 -0.00545 43 3PZ 0.13318 0.14763 -0.12704 0.09085 -0.00795 44 4XX -0.04271 -0.03906 -0.08194 0.01263 -0.13519 45 4YY 0.26004 -0.11080 -0.06681 -0.04024 -0.04837 46 4ZZ -0.24218 0.17199 0.08199 0.05721 0.20555 47 4XY -0.21019 -0.01484 -0.12377 -0.07851 -0.14209 48 4XZ -0.01137 -0.15264 -0.17635 -0.05155 -0.00392 49 4YZ 0.11691 0.02513 -0.08665 0.09756 -0.22684 50 6 H 1S 0.21334 -0.08243 -0.11122 0.05942 -0.07927 51 2S 0.04745 0.03333 -0.05280 0.03304 -0.00978 52 7 C 1S -0.02259 -0.00289 0.01340 -0.00058 -0.00115 53 2S -0.28790 -0.12907 -0.05033 -0.25188 0.04581 54 2PX -0.09227 0.00842 -0.03190 -0.01147 0.00962 55 2PY 0.00352 0.03957 0.10861 0.08034 0.02196 56 2PZ 0.20421 0.02869 -0.08232 0.04441 -0.01048 57 3S 0.80532 0.14135 -0.19614 0.22947 0.02586 58 3PX -0.02125 -0.43976 0.47360 -0.16034 0.13129 59 3PY -0.36512 0.16628 -0.46151 -0.19115 -0.14435 60 3PZ -0.12208 -0.07143 0.31442 -0.14417 -0.06042 61 4XX 0.24509 -0.01316 -0.19279 0.07240 -0.20220 62 4YY -0.15395 0.11682 0.04086 0.06923 0.10878 63 4ZZ -0.07711 -0.14214 0.15657 -0.11088 0.09131 64 4XY 0.00824 0.09963 -0.22939 0.14910 -0.01263 65 4XZ -0.02499 -0.08072 -0.17278 -0.10460 -0.00992 66 4YZ 0.05477 0.06547 0.00774 0.08170 -0.00056 67 8 H 1S 0.10849 -0.12923 0.07831 -0.01421 -0.03990 68 2S 0.03006 -0.12266 0.22483 0.02318 0.11023 69 9 C 1S 0.00845 -0.00967 0.00531 -0.01296 0.00557 70 2S 0.31218 0.31526 0.03013 0.04731 -0.07113 71 2PX -0.00634 0.00873 0.01289 0.03202 0.04010 72 2PY -0.09495 -0.12957 -0.05845 -0.05744 0.00460 73 2PZ -0.02174 -0.09983 0.04752 -0.01639 0.04643 74 3S -0.46068 -0.08529 -0.36057 0.15290 0.00848 75 3PX -0.27273 0.49359 -0.28869 0.04512 -0.21816 76 3PY 0.17080 0.18609 0.11860 0.16730 0.05804 77 3PZ 0.36423 0.33827 -0.15657 0.09243 -0.01692 78 4XX 0.42090 -0.03152 -0.22564 0.05713 0.04919 79 4YY -0.09320 -0.19644 0.05417 -0.11141 -0.00476 80 4ZZ -0.32365 0.15919 0.14551 0.01807 -0.01271 81 4XY -0.13484 0.36656 -0.09717 0.15586 0.09545 82 4XZ -0.06249 0.18030 0.00567 0.03406 0.12969 83 4YZ 0.06140 0.08819 -0.14689 -0.00851 -0.06494 84 10 H 1S 0.05100 -0.35362 0.15723 -0.13055 -0.05135 85 2S 0.03557 -0.17012 0.03838 -0.01902 0.08117 86 11 H 1S -0.27885 0.32516 0.06776 0.07059 -0.00946 87 2S -0.07056 -0.06117 -0.05242 -0.15567 -0.05500 88 12 C 1S 0.00843 -0.00968 -0.00530 -0.01296 -0.00558 89 2S 0.31209 0.31503 -0.03027 0.04726 0.07112 90 2PX -0.00638 0.00874 -0.01290 0.03199 -0.04007 91 2PY 0.09500 0.12956 -0.05856 0.05738 0.00461 92 2PZ -0.02169 -0.09983 -0.04754 -0.01642 -0.04647 93 3S -0.46073 -0.08409 0.36071 0.15328 -0.00824 94 3PX -0.27246 0.49360 0.28848 0.04551 0.21823 95 3PY -0.17084 -0.18589 0.11890 -0.16725 0.05801 96 3PZ 0.36423 0.33824 0.15621 0.09273 0.01688 97 4XX 0.42081 -0.03149 0.22548 0.05744 -0.04926 98 4YY -0.09312 -0.19645 -0.05397 -0.11149 0.00478 99 4ZZ -0.32367 0.15920 -0.14551 0.01786 0.01275 100 4XY 0.13510 -0.36676 -0.09682 -0.15610 0.09541 101 4XZ -0.06221 0.18004 -0.00575 0.03401 -0.12963 102 4YZ -0.06128 -0.08841 -0.14694 0.00832 -0.06496 103 13 H 1S -0.27876 0.32508 -0.06794 0.07055 0.00954 104 2S -0.07048 -0.06126 0.05267 -0.15567 0.05496 105 14 H 1S 0.05096 -0.35372 -0.15695 -0.13077 0.05128 106 2S 0.03546 -0.17017 -0.03830 -0.01911 -0.08119 107 15 C 1S 0.01380 -0.00619 -0.00164 0.03268 0.01139 108 2S 0.15113 -0.23944 0.11983 0.53936 0.17142 109 2PX 0.08319 -0.01250 0.18554 0.00378 0.02561 110 2PY -0.03837 -0.14976 0.02355 0.21502 -0.06532 111 2PZ -0.04780 -0.04788 -0.04688 0.06988 0.04163 112 3S -0.54711 0.04406 -0.14025 -0.70831 -0.96559 113 3PX -0.27335 -0.14701 -0.57180 0.26600 0.16727 114 3PY 0.19669 0.35115 0.63265 -0.37897 -0.51187 115 3PZ -0.03341 0.19384 0.02645 -0.41633 -0.38413 116 4XX -0.08782 -0.12900 -0.04984 -0.12920 0.04991 117 4YY 0.08144 0.14886 0.02224 -0.21132 -0.05423 118 4ZZ -0.01873 -0.01937 -0.06399 0.36933 -0.01654 119 4XY 0.03962 0.05881 0.04638 -0.00907 0.20580 120 4XZ -0.11878 -0.07404 -0.43998 0.14673 0.05672 121 4YZ 0.04806 0.01890 -0.03866 0.00963 0.28654 122 16 H 1S 0.00326 0.01459 0.10205 -0.05537 -0.12835 123 2S 0.18591 0.13546 0.23840 -0.17220 -0.13327 124 17 C 1S 0.01378 -0.00617 0.00156 0.03268 -0.01141 125 2S 0.15069 -0.23932 -0.12073 0.53919 -0.17157 126 2PX 0.08313 -0.01255 -0.18559 0.00349 -0.02561 127 2PY 0.03836 0.14979 0.02378 -0.21499 -0.06530 128 2PZ -0.04783 -0.04785 0.04682 0.06990 -0.04164 129 3S -0.54528 0.04322 0.14211 -0.70820 0.96599 130 3PX -0.27341 -0.14695 0.57150 0.26681 -0.16727 131 3PY -0.19720 -0.35078 0.63246 0.38020 -0.51191 132 3PZ -0.03281 0.19357 -0.02544 -0.41641 0.38422 133 4XX -0.08770 -0.12902 0.05019 -0.12913 -0.04986 134 4YY 0.08147 0.14886 -0.02211 -0.21136 0.05407 135 4ZZ -0.01881 -0.01934 0.06347 0.36943 0.01667 136 4XY -0.03954 -0.05881 0.04632 0.00915 0.20587 137 4XZ -0.11872 -0.07399 0.43996 0.14738 -0.05663 138 4YZ -0.04796 -0.01889 -0.03857 -0.00979 0.28669 139 18 H 1S 0.00329 0.01457 -0.10195 -0.05559 0.12845 140 2S 0.18601 0.13538 -0.23825 -0.17261 0.13322 141 19 O 1S -0.00317 -0.00188 0.01273 0.00862 -0.00400 142 2S -0.11742 0.13396 -0.29585 -0.25048 -0.08503 143 2PX -0.01564 0.01566 -0.12977 0.08888 -0.03701 144 2PY -0.00761 0.04963 -0.09457 -0.13354 -0.02027 145 2PZ 0.03259 0.08498 0.09588 -0.05211 -0.07404 146 3S 0.28214 -0.33338 0.27856 0.33611 0.35174 147 3PX 0.02298 -0.19147 0.22155 0.07758 0.22833 148 3PY 0.03659 -0.14879 0.04789 0.15423 0.12454 149 3PZ -0.11120 -0.24624 -0.14299 -0.14394 0.18252 150 4XX 0.15998 0.12646 0.04773 -0.15583 -0.14828 151 4YY -0.02674 0.04966 -0.08850 0.01158 0.00018 152 4ZZ -0.18350 -0.14593 -0.02049 0.12200 0.12382 153 4XY -0.08145 -0.17369 -0.06833 -0.05478 0.26491 154 4XZ 0.01591 0.02000 -0.16143 -0.06553 0.06001 155 4YZ -0.08129 -0.18188 -0.04646 0.01570 0.26183 156 20 O 1S -0.00316 -0.00188 -0.01273 0.00860 0.00401 157 2S -0.11719 0.13399 0.29633 -0.25000 0.08510 158 2PX -0.01559 0.01569 0.12963 0.08909 0.03699 159 2PY 0.00759 -0.04966 -0.09475 0.13344 -0.02030 160 2PZ 0.03261 0.08494 -0.09589 -0.05223 0.07403 161 3S 0.28136 -0.33330 -0.27949 0.33562 -0.35202 162 3PX 0.02270 -0.19149 -0.22170 0.07720 -0.22836 163 3PY -0.03643 0.14880 0.04813 -0.15417 0.12464 164 3PZ -0.11117 -0.24618 0.14347 -0.14374 -0.18243 165 4XX 0.15999 0.12645 -0.04752 -0.15589 0.14819 166 4YY -0.02668 0.04962 0.08851 0.01175 -0.00024 167 4ZZ -0.18347 -0.14587 0.02039 0.12199 -0.12362 168 4XY 0.08143 0.17367 -0.06850 0.05468 0.26491 169 4XZ 0.01585 0.02009 0.16158 -0.06528 -0.05996 170 4YZ 0.08131 0.18195 -0.04650 -0.01579 0.26185 171 21 C 1S 0.00803 -0.00166 0.00001 -0.01046 0.00000 172 2S 0.00402 -0.09009 0.00050 -0.59356 0.00003 173 2PX -0.03340 -0.08962 0.00014 -0.13408 0.00001 174 2PY 0.00001 0.00000 0.05348 0.00003 0.01356 175 2PZ 0.01619 0.00438 -0.00006 0.07320 0.00000 176 3S -0.19000 0.19537 -0.00057 0.71864 -0.00001 177 3PX 0.29097 0.73738 -0.00081 0.77865 -0.00008 178 3PY -0.00005 -0.00009 -0.09036 -0.00003 0.00346 179 3PZ 0.47263 0.80980 -0.00006 -0.25541 -0.00007 180 4XX -0.11275 -0.11114 0.00020 -0.19966 -0.00003 181 4YY 0.03544 -0.12391 -0.00023 0.32528 -0.00009 182 4ZZ 0.09446 0.28529 -0.00001 -0.08256 0.00011 183 4XY 0.00001 -0.00003 -0.13636 -0.00002 0.41665 184 4XZ 0.04016 0.26994 0.00040 -0.60208 0.00007 185 4YZ 0.00000 -0.00004 0.00232 0.00005 0.49147 186 22 H 1S 0.18344 0.14039 -0.00036 0.38161 -0.00003 187 2S 0.19457 0.42113 -0.00017 0.05946 -0.00004 188 23 H 1S -0.18568 -0.53982 0.00007 0.08053 0.00001 189 2S -0.14608 -0.16864 0.00008 -0.01672 0.00005 151 152 153 154 155 V V V V V Eigenvalues -- 2.24012 2.25826 2.27019 2.30438 2.31427 1 1 C 1S -0.00893 -0.00233 -0.01973 0.00683 0.02242 2 2S -0.14675 0.09162 -0.38896 -0.17853 0.30077 3 2PX 0.00614 -0.03667 -0.01649 -0.03671 -0.13382 4 2PY -0.01598 0.01436 -0.10249 -0.06800 -0.01773 5 2PZ -0.03619 0.03935 0.03451 0.08430 0.10121 6 3S 0.45354 -0.20847 1.50111 0.00396 -2.49249 7 3PX -0.15837 0.16044 0.65812 -0.08667 -0.04402 8 3PY 0.10887 0.20202 1.10827 0.01592 -1.36058 9 3PZ -0.20498 0.11619 0.29225 -0.14711 -0.19886 10 4XX -0.22790 0.07141 0.12517 -0.00343 0.06343 11 4YY 0.16012 -0.32408 -0.21934 -0.06908 0.04799 12 4ZZ 0.07856 0.23132 0.11577 0.07957 -0.21058 13 4XY -0.18120 0.20971 0.35051 0.08422 0.06109 14 4XZ 0.03124 0.15416 0.08698 -0.13074 -0.30459 15 4YZ -0.15451 0.01882 0.15459 -0.23568 0.02219 16 2 H 1S -0.09255 0.21877 0.16801 0.05112 -0.09406 17 2S -0.00661 0.10266 0.27699 -0.01111 -0.27064 18 3 C 1S 0.00343 -0.00641 0.00672 -0.01498 -0.03436 19 2S 0.24568 -0.27918 -0.01340 -0.27739 -0.62950 20 2PX -0.05375 0.07097 0.05698 0.11915 0.08824 21 2PY 0.03526 -0.08791 -0.00151 0.02489 0.06357 22 2PZ 0.08077 -0.05070 -0.03627 -0.06772 -0.13487 23 3S -0.32002 0.20189 -1.35709 0.66359 3.45551 24 3PX 0.27077 -0.15698 0.16361 -0.14696 -1.55081 25 3PY -0.06595 0.08042 -0.35000 0.10893 1.29643 26 3PZ -0.08301 0.01651 -0.79496 0.27305 1.30987 27 4XX -0.20782 0.02166 0.38095 -0.13682 0.17138 28 4YY -0.05629 0.18517 -0.07048 -0.05035 0.03446 29 4ZZ 0.23536 -0.21368 -0.35428 0.13041 -0.15031 30 4XY -0.03965 -0.01032 -0.07250 0.21105 -0.19983 31 4XZ 0.07841 -0.07965 -0.02863 -0.20008 -0.15032 32 4YZ -0.11417 0.02247 -0.11552 0.03553 -0.34219 33 4 H 1S 0.03641 -0.02755 -0.00176 -0.05282 0.16060 34 2S -0.09030 0.04384 -0.19938 0.03984 0.56875 35 5 C 1S 0.00344 -0.00642 -0.00673 0.01495 0.03430 36 2S 0.24599 -0.27930 0.01389 0.27693 0.62843 37 2PX -0.05380 0.07090 -0.05713 -0.11907 -0.08802 38 2PY -0.03528 0.08797 -0.00166 0.02510 0.06417 39 2PZ 0.08083 -0.05065 0.03637 0.06776 0.13506 40 3S -0.32156 0.20419 1.35720 -0.66286 -3.45373 41 3PX 0.27149 -0.15731 -0.16349 0.14671 1.55016 42 3PY 0.06650 -0.08107 -0.34996 0.10885 1.29643 43 3PZ -0.08371 0.01763 0.79495 -0.27269 -1.30850 44 4XX -0.20793 0.02115 -0.38082 0.13622 -0.17326 45 4YY -0.05628 0.18520 0.07012 0.05082 -0.03335 46 4ZZ 0.23543 -0.21315 0.35450 -0.13034 0.15089 47 4XY 0.03962 0.01026 -0.07262 0.21107 -0.19967 48 4XZ 0.07842 -0.07966 0.02858 0.19995 0.14989 49 4YZ 0.11406 -0.02246 -0.11560 0.03583 -0.34149 50 6 H 1S 0.03632 -0.02758 0.00170 0.05283 -0.16053 51 2S -0.09057 0.04411 0.19936 -0.03976 -0.56852 52 7 C 1S -0.00895 -0.00229 0.01975 -0.00683 -0.02240 53 2S -0.14695 0.09223 0.38892 0.17863 -0.30066 54 2PX 0.00617 -0.03668 0.01655 0.03663 0.13367 55 2PY 0.01601 -0.01451 -0.10242 -0.06802 -0.01785 56 2PZ -0.03625 0.03931 -0.03460 -0.08425 -0.10108 57 3S 0.45492 -0.21110 -1.50136 -0.00436 2.49141 58 3PX -0.15830 0.15963 -0.65882 0.08647 0.04356 59 3PY -0.10958 -0.20025 1.10881 0.01613 -1.35935 60 3PZ -0.20490 0.11539 -0.29206 0.14717 0.19803 61 4XX -0.22801 0.07137 -0.12528 0.00297 -0.06506 62 4YY 0.16014 -0.32392 0.21988 0.06908 -0.04806 63 4ZZ 0.07870 0.23116 -0.11619 -0.07912 0.21229 64 4XY 0.18115 -0.20925 0.35085 0.08410 0.06108 65 4XZ 0.03134 0.15409 -0.08714 0.13110 0.30533 66 4YZ 0.15447 -0.01859 0.15468 -0.23523 0.02358 67 8 H 1S -0.09256 0.21861 -0.16838 -0.05101 0.09414 68 2S -0.00642 0.10222 -0.27719 0.01097 0.27001 69 9 C 1S -0.00972 0.00412 -0.04173 -0.01377 0.01253 70 2S -0.09272 -0.05215 -0.27340 -0.54217 0.08508 71 2PX -0.01696 0.03998 0.01921 0.03484 -0.04053 72 2PY -0.00387 -0.02810 -0.02476 0.06541 -0.01238 73 2PZ 0.03343 0.03728 -0.06580 0.09670 0.06721 74 3S 0.14884 0.04554 1.99948 1.17374 -1.30024 75 3PX -0.01646 -0.08662 0.34478 -0.52982 -0.00204 76 3PY 0.01536 0.04110 -0.58457 -0.21172 0.16661 77 3PZ -0.09936 0.07484 -0.23513 -0.16389 0.43050 78 4XX 0.06531 -0.15979 0.06989 0.30992 -0.09425 79 4YY -0.06526 -0.02091 0.10386 -0.15665 -0.01829 80 4ZZ -0.00456 0.21077 -0.18074 -0.04450 0.09116 81 4XY -0.05029 0.07490 0.36126 -0.03286 -0.35631 82 4XZ -0.11728 0.47259 -0.09170 0.15841 0.21025 83 4YZ -0.03337 0.11668 0.03415 -0.09212 -0.06484 84 10 H 1S 0.05613 -0.26355 -0.18506 -0.10837 0.02585 85 2S 0.01871 0.07237 -0.03837 0.08996 -0.02488 86 11 H 1S -0.08958 0.22198 -0.01315 -0.26141 0.08467 87 2S -0.01398 -0.19891 -0.02909 -0.21827 0.01014 88 12 C 1S -0.00973 0.00418 0.04171 0.01377 -0.01256 89 2S -0.09269 -0.05197 0.27350 0.54249 -0.08425 90 2PX -0.01693 0.03998 -0.01922 -0.03480 0.04054 91 2PY 0.00386 0.02803 -0.02484 0.06557 -0.01199 92 2PZ 0.03336 0.03745 0.06567 -0.09669 -0.06726 93 3S 0.14950 0.04283 -1.99930 -1.17402 1.30002 94 3PX -0.01638 -0.08757 -0.34451 0.52972 0.00178 95 3PY -0.01521 -0.04183 -0.58461 -0.21178 0.16664 96 3PZ -0.09959 0.07543 0.23478 0.16398 -0.43070 97 4XX 0.06531 -0.15983 -0.06987 -0.30992 0.09457 98 4YY -0.06526 -0.02106 -0.10387 0.15641 0.01737 99 4ZZ -0.00458 0.21101 0.18064 0.04468 -0.09078 100 4XY 0.05018 -0.07456 0.36111 -0.03273 -0.35564 101 4XZ -0.11727 0.47271 0.09118 -0.15816 -0.21016 102 4YZ 0.03327 -0.11666 0.03426 -0.09230 -0.06520 103 13 H 1S -0.08956 0.22188 0.01304 0.26144 -0.08514 104 2S -0.01401 -0.19909 0.02927 0.21824 -0.00996 105 14 H 1S 0.05607 -0.26335 0.18526 0.10819 -0.02584 106 2S 0.01875 0.07247 0.03826 -0.08981 0.02525 107 15 C 1S 0.01441 0.00339 -0.01028 -0.01600 -0.01963 108 2S 0.27668 0.26448 -0.18048 -0.80357 -0.24430 109 2PX -0.04863 0.02150 0.04813 0.11232 0.00203 110 2PY 0.08562 0.08518 0.02288 0.00420 0.00419 111 2PZ 0.02335 0.03586 -0.09152 -0.23266 -0.02762 112 3S -0.40456 -0.22029 0.65401 2.59466 1.45556 113 3PX 0.06466 -0.03917 -0.34828 -0.80910 -0.31294 114 3PY -0.09044 -0.12139 0.28182 1.50825 0.45791 115 3PZ -0.39130 -0.10007 0.61270 1.31896 0.79749 116 4XX 0.26590 0.14354 -0.04088 0.24879 -0.00415 117 4YY -0.08001 -0.14138 0.00969 -0.03556 0.01469 118 4ZZ -0.19864 -0.03616 0.02345 -0.08087 0.02509 119 4XY 0.08549 0.02728 -0.00175 0.08510 0.03545 120 4XZ 0.06727 0.08602 -0.10094 -0.21292 0.11834 121 4YZ 0.17036 0.00780 -0.04150 0.03264 0.02206 122 16 H 1S -0.02592 0.06464 0.07423 0.18423 0.05430 123 2S -0.12412 -0.03213 0.23779 0.55357 0.16381 124 17 C 1S 0.01442 0.00339 0.01027 0.01599 0.01964 125 2S 0.27674 0.26434 0.18012 0.80347 0.24385 126 2PX -0.04867 0.02156 -0.04816 -0.11230 -0.00206 127 2PY -0.08565 -0.08516 0.02296 0.00420 0.00436 128 2PZ 0.02333 0.03584 0.09148 0.23266 0.02761 129 3S -0.40504 -0.21958 -0.65371 -2.59460 -1.45538 130 3PX 0.06471 -0.03937 0.34837 0.80882 0.31246 131 3PY 0.09067 0.12077 0.28178 1.50837 0.45768 132 3PZ -0.39167 -0.10002 -0.61252 -1.31833 -0.79693 133 4XX 0.26593 0.14372 0.04072 -0.24889 0.00375 134 4YY -0.07990 -0.14142 -0.00952 0.03556 -0.01442 135 4ZZ -0.19876 -0.03625 -0.02342 0.08101 -0.02477 136 4XY -0.08540 -0.02735 -0.00178 0.08499 0.03547 137 4XZ 0.06725 0.08593 0.10090 0.21281 -0.11874 138 4YZ -0.17021 -0.00787 -0.04153 0.03269 0.02228 139 18 H 1S -0.02591 0.06468 -0.07432 -0.18418 -0.05422 140 2S -0.12423 -0.03206 -0.23776 -0.55337 -0.16357 141 19 O 1S 0.00720 0.00891 0.00755 0.02664 0.00235 142 2S -0.08605 -0.08160 -0.00207 -0.09976 0.22574 143 2PX 0.00909 -0.02970 -0.02584 -0.14072 0.05358 144 2PY -0.03743 -0.01668 -0.01966 -0.07545 0.01629 145 2PZ -0.01190 -0.02991 0.03902 0.06527 0.00621 146 3S 0.14240 0.01819 -0.34043 -0.72795 -0.75144 147 3PX 0.12989 0.13759 -0.11019 -0.00532 -0.31844 148 3PY 0.00943 -0.03515 -0.02843 -0.11755 -0.11533 149 3PZ -0.03067 0.05044 -0.04070 0.02476 0.03663 150 4XX 0.42113 0.18591 0.04865 0.11565 0.06652 151 4YY -0.02730 -0.02037 0.02698 0.01132 0.07613 152 4ZZ -0.37341 -0.13699 -0.05383 -0.04710 -0.10238 153 4XY -0.08685 -0.04977 -0.09519 0.07091 -0.08199 154 4XZ 0.14155 0.10096 -0.08516 -0.25932 -0.02518 155 4YZ -0.05369 -0.01078 -0.13819 0.04963 -0.12542 156 20 O 1S 0.00720 0.00893 -0.00756 -0.02663 -0.00232 157 2S -0.08608 -0.08168 0.00220 0.09983 -0.22548 158 2PX 0.00908 -0.02979 0.02592 0.14066 -0.05369 159 2PY 0.03743 0.01671 -0.01965 -0.07545 0.01620 160 2PZ -0.01188 -0.02990 -0.03898 -0.06527 -0.00619 161 3S 0.14258 0.01815 0.34038 0.72766 0.75067 162 3PX 0.12993 0.13779 0.10992 0.00534 0.31839 163 3PY -0.00944 0.03521 -0.02851 -0.11742 -0.11504 164 3PZ -0.03072 0.05050 0.04057 -0.02469 -0.03638 165 4XX 0.42121 0.18590 -0.04882 -0.11578 -0.06715 166 4YY -0.02732 -0.02042 -0.02689 -0.01136 -0.07614 167 4ZZ -0.37348 -0.13692 0.05386 0.04732 0.10321 168 4XY 0.08687 0.04959 -0.09522 0.07073 -0.08255 169 4XZ 0.14164 0.10093 0.08501 0.25932 0.02495 170 4YZ 0.05383 0.01059 -0.13815 0.04945 -0.12613 171 21 C 1S -0.00960 -0.00556 0.00000 0.00000 0.00000 172 2S -0.16200 -0.09060 0.00002 0.00012 0.00028 173 2PX -0.00260 0.00028 -0.00003 0.00003 0.00010 174 2PY 0.00000 0.00001 0.00455 0.00981 -0.03641 175 2PZ -0.00140 -0.00244 0.00000 -0.00001 -0.00002 176 3S 0.38698 0.22449 -0.00014 -0.00014 -0.00025 177 3PX 0.32417 0.11953 0.00005 -0.00014 -0.00039 178 3PY 0.00001 0.00005 0.00692 -0.05142 0.05222 179 3PZ -0.03511 -0.15634 0.00017 -0.00002 -0.00015 180 4XX 0.29844 0.12543 0.00000 -0.00017 -0.00072 181 4YY 0.09786 0.09032 -0.00002 -0.00005 -0.00012 182 4ZZ -0.39307 -0.21775 0.00003 0.00019 0.00078 183 4XY 0.00008 -0.00009 -0.14372 -0.00841 -0.15769 184 4XZ -0.16901 -0.11117 0.00007 0.00001 -0.00011 185 4YZ 0.00014 -0.00013 -0.17281 0.09595 -0.21579 186 22 H 1S -0.02184 -0.01271 0.00000 0.00006 0.00027 187 2S 0.08750 -0.00441 0.00008 -0.00007 -0.00028 188 23 H 1S 0.17648 0.12104 -0.00007 -0.00007 -0.00037 189 2S -0.13345 0.03355 -0.00005 0.00007 0.00028 156 157 158 159 160 V V V V V Eigenvalues -- 2.32075 2.38544 2.40984 2.41151 2.44513 1 1 C 1S 0.01095 -0.00781 0.02600 -0.00160 -0.01447 2 2S 0.06849 -0.03402 -0.03486 0.03525 -0.28236 3 2PX -0.03208 0.02401 0.11374 -0.00959 -0.00822 4 2PY 0.03085 -0.01674 -0.04350 0.02106 -0.03261 5 2PZ 0.02466 0.01737 -0.23443 0.03263 0.08087 6 3S -0.46754 -0.24706 -0.50644 0.00237 1.34239 7 3PX -0.16751 -0.08720 -0.12943 0.07996 0.11515 8 3PY -0.35331 0.08906 -0.11418 -0.05741 0.75961 9 3PZ -0.12580 -0.04457 -0.32699 0.02829 0.42493 10 4XX -0.35862 0.18460 -0.07567 -0.18548 -0.06633 11 4YY -0.00141 -0.20066 0.04949 0.06470 0.09934 12 4ZZ 0.35959 -0.02553 0.09881 0.11634 0.02389 13 4XY -0.03415 0.06269 -0.06165 0.04879 -0.03640 14 4XZ 0.17085 0.03320 0.19131 0.00373 -0.12667 15 4YZ -0.31497 -0.16774 -0.13679 -0.02660 0.14974 16 2 H 1S 0.01608 0.13778 0.00644 -0.03295 -0.00147 17 2S -0.14197 0.00143 -0.00971 -0.02806 0.11956 18 3 C 1S -0.01567 0.01407 0.01852 0.00279 -0.00539 19 2S -0.21564 0.06295 0.14538 -0.06149 0.03269 20 2PX 0.04291 0.04826 -0.07084 0.01995 0.02671 21 2PY -0.14259 0.01347 -0.11635 -0.05355 0.03660 22 2PZ 0.05078 -0.02042 0.03350 0.00625 -0.02304 23 3S 0.46378 -0.66584 -0.69197 -0.03512 -0.53796 24 3PX -0.12168 0.03629 0.27765 -0.01125 0.21032 25 3PY 0.10378 -0.49228 -0.38476 0.08987 -0.05657 26 3PZ 0.25349 0.03597 -0.29152 0.04904 -0.12061 27 4XX -0.41554 0.11419 -0.11150 -0.12543 -0.07837 28 4YY 0.21127 -0.07120 -0.12847 0.10068 0.08886 29 4ZZ 0.15710 -0.07721 0.24928 0.03052 -0.01596 30 4XY -0.05328 0.27132 -0.44570 0.00133 0.08531 31 4XZ -0.11957 0.05532 0.01083 0.01886 -0.10296 32 4YZ -0.15386 0.05523 -0.23972 -0.05998 0.14156 33 4 H 1S -0.00219 0.09831 -0.10855 0.04691 -0.05995 34 2S 0.05489 -0.07826 -0.13061 0.02545 0.02858 35 5 C 1S -0.01584 -0.01408 -0.01856 0.00262 0.00531 36 2S -0.21879 -0.06297 -0.14492 -0.06301 -0.03296 37 2PX 0.04334 -0.04831 0.07072 0.02064 -0.02676 38 2PY 0.14233 0.01345 -0.11678 0.05246 0.03649 39 2PZ 0.05016 0.02041 -0.03360 0.00592 0.02308 40 3S 0.48074 0.66618 0.69267 -0.02814 0.54059 41 3PX -0.12880 -0.03640 -0.27760 -0.01406 -0.21133 42 3PY -0.11020 -0.49227 -0.38407 -0.09372 -0.05603 43 3PZ 0.25977 -0.03593 0.29113 0.05193 0.12136 44 4XX -0.41509 -0.11412 0.11264 -0.12432 0.07880 45 4YY 0.21133 0.07117 0.12754 0.10184 -0.08945 46 4ZZ 0.15683 0.07716 -0.24958 0.02820 0.01613 47 4XY 0.05411 0.27125 -0.44556 -0.00555 0.08545 48 4XZ -0.12047 -0.05535 -0.01118 0.01876 0.10183 49 4YZ 0.15550 0.05515 -0.24021 0.05774 0.14121 50 6 H 1S -0.00158 -0.09835 0.10800 0.04795 0.05924 51 2S 0.05754 0.07834 0.13044 0.02677 -0.02830 52 7 C 1S 0.01107 0.00784 -0.02595 -0.00185 0.01467 53 2S 0.06969 0.03422 0.03482 0.03557 0.28283 54 2PX -0.03266 -0.02401 -0.11361 -0.01065 0.00820 55 2PY -0.03073 -0.01672 -0.04339 -0.02148 -0.03230 56 2PZ 0.02509 -0.01736 0.23403 0.03486 -0.08115 57 3S -0.47932 0.24603 0.50515 0.00712 -1.34807 58 3PX -0.16814 0.08728 0.12888 0.08113 -0.11571 59 3PY 0.36007 0.08942 -0.11442 0.05647 0.76117 60 3PZ -0.12722 0.04452 0.32650 0.03139 -0.42561 61 4XX -0.35840 -0.18446 0.07735 -0.18475 0.06784 62 4YY -0.00126 0.20082 -0.05023 0.06423 -0.10069 63 4ZZ 0.35883 0.02523 -0.09972 0.11537 -0.02393 64 4XY 0.03381 0.06262 -0.06116 -0.04947 -0.03565 65 4XZ 0.16938 -0.03321 -0.19119 0.00187 0.12720 66 4YZ 0.31518 -0.16781 -0.13683 0.02527 0.15047 67 8 H 1S 0.01556 -0.13779 -0.00595 -0.03307 0.00259 68 2S -0.14336 -0.00144 0.00992 -0.02800 -0.11998 69 9 C 1S -0.00871 0.04148 0.04719 0.00714 -0.05717 70 2S 0.15139 0.28379 0.30575 0.06496 -0.46795 71 2PX 0.00662 -0.05905 0.00072 0.00606 0.02138 72 2PY -0.06434 0.05825 0.10017 -0.01953 -0.05157 73 2PZ -0.02393 -0.02153 0.01447 0.01984 -0.03561 74 3S 0.07905 -1.27870 -1.59568 -0.18950 2.56361 75 3PX -0.05612 0.00134 -0.45823 -0.07382 0.24023 76 3PY 0.02331 0.59298 0.36504 -0.02527 -0.72991 77 3PZ -0.11446 0.47793 0.57305 0.00875 -0.79770 78 4XX 0.01689 0.29175 0.48917 0.05247 -0.24900 79 4YY -0.19571 -0.13985 -0.20698 -0.01591 0.15682 80 4ZZ 0.13172 -0.14663 -0.25947 -0.03738 0.12742 81 4XY -0.12049 -0.23663 -0.11278 -0.06527 -0.01345 82 4XZ 0.01879 -0.15781 -0.02239 0.05758 -0.07827 83 4YZ 0.06798 -0.42919 0.23625 0.02248 0.17300 84 10 H 1S -0.00005 0.23707 0.07376 0.01600 -0.10257 85 2S 0.08177 -0.22889 0.02541 0.04383 0.06700 86 11 H 1S -0.09079 -0.14283 -0.23390 -0.05802 -0.04942 87 2S 0.02483 0.04211 -0.02649 0.10989 0.01312 88 12 C 1S -0.00864 -0.04150 -0.04728 0.00669 0.05708 89 2S 0.15127 -0.28388 -0.30645 0.06192 0.46733 90 2PX 0.00647 0.05908 -0.00075 0.00605 -0.02120 91 2PY 0.06426 0.05821 0.09997 0.02047 -0.05175 92 2PZ -0.02345 0.02151 -0.01467 0.01973 0.03530 93 3S 0.07325 1.27924 1.59799 -0.17407 -2.56058 94 3PX -0.05696 -0.00121 0.45895 -0.06952 -0.24009 95 3PY -0.02413 0.59303 0.36490 0.02880 -0.73046 96 3PZ -0.11234 -0.47795 -0.57334 0.00316 0.79558 97 4XX 0.01699 -0.29187 -0.48979 0.04784 0.24837 98 4YY -0.19609 0.14007 0.20692 -0.01395 -0.15719 99 4ZZ 0.13206 0.14652 0.26016 -0.03489 -0.12640 100 4XY 0.12234 -0.23678 -0.11335 0.06430 -0.01343 101 4XZ 0.02018 0.15765 0.02162 0.05784 0.07717 102 4YZ -0.06776 -0.42917 0.23642 -0.02025 0.17340 103 13 H 1S -0.09075 0.14291 0.23439 -0.05587 0.04922 104 2S 0.02461 -0.04217 0.02548 0.11019 -0.01301 105 14 H 1S -0.00012 -0.23714 -0.07388 0.01530 0.10299 106 2S 0.08178 0.22886 -0.02577 0.04360 -0.06687 107 15 C 1S 0.00009 0.01650 0.01351 -0.00653 0.02631 108 2S -0.10097 0.51766 0.09694 -0.11398 -0.34260 109 2PX -0.00944 -0.02673 0.05821 0.00230 0.04475 110 2PY -0.04317 -0.04506 -0.04156 -0.01854 -0.17485 111 2PZ 0.00187 0.13843 0.00776 -0.00669 -0.07804 112 3S 0.08780 -2.01057 -0.74642 0.22991 -0.76817 113 3PX -0.09406 0.54638 0.14271 0.09986 0.58140 114 3PY 0.09693 -1.10492 -0.30624 -0.06589 -0.76169 115 3PZ 0.12000 -0.89448 -0.23290 0.15723 0.06719 116 4XX -0.05898 -0.30089 -0.11559 -0.30616 -0.18098 117 4YY 0.04985 -0.03302 -0.05467 0.03247 -0.26283 118 4ZZ 0.04728 0.22431 0.15743 0.28687 0.53301 119 4XY -0.00025 0.04788 0.09749 -0.06659 0.36026 120 4XZ -0.06315 -0.00377 -0.03533 -0.08638 -0.03736 121 4YZ -0.04961 0.03169 0.07157 -0.01516 0.21978 122 16 H 1S 0.02543 -0.17684 -0.05316 -0.12049 -0.21527 123 2S 0.04471 -0.36816 -0.09677 0.04150 -0.07306 124 17 C 1S -0.00001 -0.01651 -0.01346 -0.00668 -0.02631 125 2S -0.10308 -0.51779 -0.09599 -0.11511 0.34269 126 2PX -0.00924 0.02675 -0.05823 0.00178 -0.04453 127 2PY 0.04315 -0.04504 -0.04172 0.01810 -0.17483 128 2PZ 0.00143 -0.13844 -0.00769 -0.00683 0.07803 129 3S 0.09772 2.01091 0.74461 0.23827 0.76799 130 3PX -0.09680 -0.54627 -0.14363 0.09808 -0.58163 131 3PY -0.10141 -1.10502 -0.30682 0.06208 -0.76190 132 3PZ 0.12532 0.89431 0.23145 0.16003 -0.06732 133 4XX -0.05851 0.30092 0.11853 -0.30498 0.18086 134 4YY 0.04983 0.03300 0.05432 0.03305 0.26284 135 4ZZ 0.04721 -0.22430 -0.16014 0.28526 -0.53292 136 4XY 0.00001 0.04794 0.09688 0.06758 0.36023 137 4XZ -0.06292 0.00388 0.03620 -0.08605 0.03734 138 4YZ 0.04946 0.03183 0.07153 0.01578 0.21998 139 18 H 1S 0.02604 0.17689 0.05434 -0.11988 0.21538 140 2S 0.04628 0.36804 0.09630 0.04273 0.07305 141 19 O 1S 0.00512 -0.01589 -0.00524 -0.00613 0.00302 142 2S 0.06980 -0.02055 -0.07918 0.05083 -0.21878 143 2PX -0.01925 0.07051 0.00619 0.05564 -0.00895 144 2PY 0.01938 0.02130 -0.01180 0.00539 -0.09145 145 2PZ 0.00083 -0.00506 0.03075 0.04146 0.03512 146 3S -0.19578 0.63084 0.32001 -0.01516 0.43796 147 3PX -0.02350 0.01306 0.03424 -0.22769 -0.01999 148 3PY -0.06941 0.14184 0.09674 0.04837 0.30761 149 3PZ 0.06856 -0.10064 -0.11959 -0.16887 -0.16895 150 4XX -0.11758 -0.19595 -0.06051 -0.20840 -0.23673 151 4YY -0.01191 0.00080 0.01357 -0.00391 0.08384 152 4ZZ 0.17233 0.11815 0.00983 0.18665 0.14125 153 4XY 0.11509 -0.07162 -0.04108 -0.25602 0.03463 154 4XZ -0.03277 0.09316 -0.05186 -0.08046 -0.10267 155 4YZ 0.14803 -0.11688 -0.10821 -0.36775 -0.23367 156 20 O 1S 0.00517 0.01589 0.00530 -0.00607 -0.00304 157 2S 0.07068 0.02055 0.07878 0.05160 0.21879 158 2PX -0.01922 -0.07050 -0.00672 0.05554 0.00893 159 2PY -0.01937 0.02130 -0.01176 -0.00552 -0.09149 160 2PZ 0.00096 0.00506 -0.03114 0.04117 -0.03506 161 3S -0.20015 -0.63079 -0.32001 -0.01858 -0.43766 162 3PX -0.02484 -0.01314 -0.03214 -0.22802 0.02001 163 3PY 0.07016 0.14173 0.09720 -0.04728 0.30760 164 3PZ 0.06871 0.10069 0.12127 -0.16768 0.16889 165 4XX -0.11694 0.19590 0.06245 -0.20774 0.23673 166 4YY -0.01155 -0.00072 -0.01350 -0.00418 -0.08388 167 4ZZ 0.17163 -0.11820 -0.01161 0.18667 -0.14136 168 4XY -0.11478 -0.07158 -0.04354 0.25564 0.03471 169 4XZ -0.03328 -0.09322 0.05260 -0.08000 0.10258 170 4YZ -0.14763 -0.11684 -0.11172 0.36660 -0.23341 171 21 C 1S 0.00107 0.00000 -0.00001 0.00150 0.00000 172 2S 0.12983 -0.00001 -0.00038 0.09769 0.00030 173 2PX 0.04715 -0.00002 -0.00004 0.01590 0.00009 174 2PY 0.00008 0.00277 0.01811 0.00009 0.04648 175 2PZ -0.00362 0.00002 0.00017 -0.03458 -0.00001 176 3S -0.11416 -0.00009 0.00070 -0.16378 -0.00034 177 3PX -0.17401 -0.00003 0.00051 -0.13214 -0.00034 178 3PY -0.00005 0.04499 0.01012 0.00004 -0.00283 179 3PZ -0.08238 -0.00002 -0.00050 0.09050 -0.00006 180 4XX -0.30903 0.00000 -0.00308 0.64529 0.00021 181 4YY -0.06504 0.00000 0.00015 -0.03323 -0.00004 182 4ZZ 0.34394 0.00001 0.00300 -0.63185 -0.00026 183 4XY 0.00040 0.00532 -0.04044 -0.00020 -0.03202 184 4XZ -0.04517 0.00003 -0.00087 0.18326 0.00007 185 4YZ 0.00039 -0.05016 -0.08330 -0.00031 -0.00223 186 22 H 1S 0.11629 -0.00001 0.00168 -0.35585 -0.00014 187 2S -0.12887 0.00000 -0.00059 0.11134 -0.00007 188 23 H 1S -0.15043 -0.00001 -0.00174 0.36816 0.00018 189 2S 0.13087 0.00006 0.00106 -0.21177 0.00003 161 162 163 164 165 V V V V V Eigenvalues -- 2.45768 2.48411 2.52546 2.54763 2.59563 1 1 C 1S -0.05855 -0.05528 -0.01955 -0.03939 -0.01018 2 2S -0.14026 -1.11445 -0.20058 -1.14303 -0.05223 3 2PX 0.00048 0.00347 -0.00065 -0.02148 0.02790 4 2PY 0.08029 -0.17183 -0.03680 -0.23405 0.00470 5 2PZ 0.08604 0.01886 0.11300 -0.01406 -0.00928 6 3S 1.75363 3.38150 0.75428 2.62454 0.27708 7 3PX 0.11590 -0.16593 -0.47057 0.23065 0.07429 8 3PY 0.47609 1.74229 0.23359 1.65014 0.21530 9 3PZ 0.27149 0.19243 0.29213 -0.05551 -0.08886 10 4XX -0.43248 0.11400 -0.04160 0.13992 0.00565 11 4YY 0.41266 -0.06430 0.05879 0.00947 -0.15333 12 4ZZ -0.01111 0.13725 -0.02306 0.11060 0.16640 13 4XY 0.21675 -0.09699 0.08597 -0.06926 -0.03001 14 4XZ -0.17312 0.04077 -0.08563 -0.06865 -0.11165 15 4YZ 0.26386 0.00392 0.17436 -0.09100 -0.05227 16 2 H 1S -0.35244 0.07271 -0.10701 0.10001 0.09106 17 2S 0.15737 0.30491 0.03461 0.38469 0.05865 18 3 C 1S 0.02390 -0.02700 -0.01326 -0.01777 0.01009 19 2S 0.12877 0.04933 -0.34390 -0.29373 0.05171 20 2PX -0.00671 0.03658 0.05752 0.12537 0.05150 21 2PY -0.01664 0.14241 -0.00631 0.08378 0.06712 22 2PZ 0.00066 -0.01057 -0.04760 -0.07146 -0.03037 23 3S -0.81409 -1.17528 0.89312 -0.62107 -0.32264 24 3PX 0.32344 0.72972 -0.43805 0.30820 0.14110 25 3PY 0.14162 -0.17936 0.13418 0.21526 -0.00362 26 3PZ -0.27740 -0.74184 0.28335 -0.47933 -0.07403 27 4XX -0.09228 -0.18387 0.11105 -0.04775 -0.02904 28 4YY 0.14228 0.24928 -0.00219 0.13238 -0.04758 29 4ZZ -0.05278 -0.12365 -0.02669 -0.04403 0.07932 30 4XY 0.05359 0.00580 -0.10430 -0.02762 -0.07904 31 4XZ 0.34037 -0.23877 -0.13109 -0.18024 0.01567 32 4YZ -0.09391 0.02176 0.02115 -0.03439 0.02232 33 4 H 1S 0.21092 -0.17235 -0.07855 -0.09309 -0.02217 34 2S -0.10871 -0.21080 0.15231 -0.05112 -0.00968 35 5 C 1S 0.02385 0.02705 0.01326 0.01778 0.01004 36 2S 0.12868 -0.04887 0.34394 0.29399 0.05144 37 2PX -0.00657 -0.03667 -0.05755 -0.12538 0.05154 38 2PY 0.01636 0.14245 -0.00633 0.08367 -0.06721 39 2PZ 0.00063 0.01066 0.04759 0.07149 -0.03040 40 3S -0.81670 1.17340 -0.89318 0.62045 -0.32142 41 3PX 0.32514 -0.72889 0.43805 -0.30796 0.14080 42 3PY -0.14109 -0.17992 0.13431 0.21512 0.00317 43 3PZ -0.27936 0.74109 -0.28332 0.47909 -0.07382 44 4XX -0.09253 0.18358 -0.11097 0.04770 -0.02916 45 4YY 0.14257 -0.24895 0.00215 -0.13239 -0.04733 46 4ZZ -0.05296 0.12355 0.02663 0.04403 0.07922 47 4XY -0.05362 0.00570 -0.10436 -0.02757 0.07910 48 4XZ 0.34007 0.23957 0.13103 0.18040 0.01536 49 4YZ 0.09438 0.02197 0.02114 -0.03440 -0.02237 50 6 H 1S 0.21070 0.17285 0.07854 0.09313 -0.02233 51 2S -0.10945 0.21049 -0.15231 0.05102 -0.00952 52 7 C 1S -0.05869 0.05516 0.01956 0.03936 -0.01018 53 2S -0.14299 1.11418 0.20071 1.14294 -0.05273 54 2PX 0.00058 -0.00339 0.00063 0.02160 0.02782 55 2PY -0.07984 -0.17201 -0.03677 -0.23410 -0.00454 56 2PZ 0.08580 -0.01868 -0.11302 0.01404 -0.00923 57 3S 1.76026 -3.37780 -0.75462 -2.62356 0.27749 58 3PX 0.11543 0.16592 0.47065 -0.23085 0.07427 59 3PY -0.47941 1.74139 0.23369 1.64980 -0.21581 60 3PZ 0.27050 -0.19131 -0.29216 0.05620 -0.08881 61 4XX -0.43185 -0.11522 0.04172 -0.14017 0.00573 62 4YY 0.41226 0.06551 -0.05889 -0.00930 -0.15339 63 4ZZ -0.01096 -0.13727 0.02300 -0.11051 0.16655 64 4XY -0.21676 -0.09750 0.08598 -0.06938 0.03019 65 4XZ -0.17285 -0.04121 0.08569 0.06846 -0.11159 66 4YZ -0.26320 0.00335 0.17437 -0.09109 0.05214 67 8 H 1S -0.35222 -0.07367 0.10707 -0.10015 0.09117 68 2S 0.15804 -0.30449 -0.03459 -0.38459 0.05881 69 9 C 1S 0.03127 -0.03205 -0.06551 -0.01657 0.00385 70 2S 0.18396 -0.11705 -0.54780 -0.06235 -0.21669 71 2PX -0.06076 -0.01067 0.06039 -0.05180 0.02957 72 2PY -0.04575 -0.00666 -0.10087 0.03774 0.02340 73 2PZ 0.08606 -0.13455 0.04735 -0.13284 0.11097 74 3S -0.94195 2.10834 2.53664 1.51591 0.01569 75 3PX -0.04725 0.50652 -0.72499 0.93395 -0.18901 76 3PY -0.10374 -0.37158 -0.79808 -0.38589 -0.08595 77 3PZ 0.59506 -0.57912 -1.12141 -0.09869 -0.17952 78 4XX 0.17525 -0.04481 -0.04955 -0.03592 0.08197 79 4YY 0.11142 0.07287 0.27156 -0.06448 0.01276 80 4ZZ -0.29187 -0.03349 -0.18711 0.09747 -0.01339 81 4XY 0.02202 -0.11222 -0.33889 0.00821 -0.04141 82 4XZ 0.34593 -0.08213 -0.49444 0.28362 0.00624 83 4YZ 0.11385 0.02116 0.08267 0.15320 0.04798 84 10 H 1S -0.12320 -0.06390 0.35530 -0.36376 0.02304 85 2S -0.05628 -0.15113 0.21279 -0.21323 0.14469 86 11 H 1S 0.07456 -0.13900 -0.53849 0.12346 -0.10104 87 2S -0.02596 0.22297 0.05049 0.20377 0.07492 88 12 C 1S 0.03136 0.03212 0.06550 0.01659 0.00384 89 2S 0.18508 0.11747 0.54780 0.06232 -0.21670 90 2PX -0.06090 0.01053 -0.06036 0.05178 0.02951 91 2PY 0.04555 -0.00660 -0.10087 0.03772 -0.02342 92 2PZ 0.08572 0.13475 -0.04741 0.13297 0.11092 93 3S -0.94351 -2.11044 -2.53644 -1.51647 0.01633 94 3PX -0.04627 -0.50676 0.72482 -0.93411 -0.18843 95 3PY 0.10234 -0.37148 -0.79845 -0.38580 0.08629 96 3PZ 0.59602 0.58029 1.12120 0.09870 -0.17959 97 4XX 0.17570 0.04516 0.04935 0.03612 0.08192 98 4YY 0.11110 -0.07263 -0.27163 0.06446 0.01284 99 4ZZ -0.29212 0.03285 0.18736 -0.09763 -0.01344 100 4XY -0.02183 -0.11232 -0.33900 0.00824 0.04149 101 4XZ 0.34636 0.08298 0.49428 -0.28339 0.00633 102 4YZ -0.11328 0.02088 0.08251 0.15318 -0.04801 103 13 H 1S 0.07448 0.13922 0.53847 -0.12342 -0.10102 104 2S -0.02539 -0.22310 -0.05051 -0.20381 0.07518 105 14 H 1S -0.12331 0.06359 -0.35529 0.36370 0.02294 106 2S -0.05704 0.15104 -0.21278 0.21330 0.14455 107 15 C 1S 0.00083 0.04534 -0.01897 0.03859 0.03192 108 2S -0.08227 0.86162 -0.23367 0.69430 0.06526 109 2PX -0.04656 -0.07630 0.01145 -0.07879 0.18811 110 2PY -0.00254 -0.08230 0.03976 -0.03001 0.13905 111 2PZ -0.01962 0.15274 -0.08790 0.09526 -0.06376 112 3S 0.01437 -3.33576 1.62899 -2.44751 -0.67425 113 3PX 0.06395 -0.05119 -0.84771 -0.37639 0.37130 114 3PY 0.00987 -1.23880 1.27737 -0.81682 -0.22445 115 3PZ 0.00195 -1.38185 0.86239 -0.66209 -0.52261 116 4XX 0.04722 0.13490 0.03222 -0.25009 -0.09997 117 4YY -0.01072 -0.07633 0.06285 -0.03098 0.09930 118 4ZZ -0.01571 -0.20528 -0.06052 0.18280 0.02369 119 4XY -0.00089 0.19811 -0.18532 -0.34240 0.05744 120 4XZ 0.04748 -0.10396 -0.10488 -0.24341 0.35652 121 4YZ -0.03045 0.25150 -0.10399 -0.25073 -0.01590 122 16 H 1S 0.01649 -0.07407 0.19542 0.04999 0.02552 123 2S 0.00614 -0.35293 0.47638 -0.12040 -0.20544 124 17 C 1S 0.00087 -0.04535 0.01897 -0.03859 0.03195 125 2S -0.07858 -0.86204 0.23349 -0.69440 0.06565 126 2PX -0.04697 0.07623 -0.01140 0.07888 0.18808 127 2PY 0.00216 -0.08222 0.03976 -0.03002 -0.13893 128 2PZ -0.01894 -0.15283 0.08788 -0.09531 -0.06371 129 3S 0.00715 3.33611 -1.62883 2.44739 -0.67582 130 3PX 0.06190 0.05150 0.84771 0.37668 0.37110 131 3PY -0.00885 -1.23922 1.27754 -0.81699 0.22531 132 3PZ -0.00227 1.38170 -0.86198 0.66176 -0.52293 133 4XX 0.04803 -0.13471 -0.03229 0.25010 -0.10004 134 4YY -0.01000 0.07623 -0.06277 0.03111 0.09914 135 4ZZ -0.01800 0.20528 0.06057 -0.18292 0.02385 136 4XY 0.00170 0.19807 -0.18538 -0.34247 -0.05745 137 4XZ 0.04730 0.10428 0.10486 0.24356 0.35640 138 4YZ 0.03063 0.25161 -0.10405 -0.25066 0.01606 139 18 H 1S 0.01700 0.07421 -0.19547 -0.04997 0.02553 140 2S 0.00542 0.35290 -0.47630 0.12037 -0.20557 141 19 O 1S 0.00246 0.00369 0.02149 0.00165 -0.05761 142 2S -0.05041 -0.04517 -0.00234 0.12007 -0.89110 143 2PX -0.00188 -0.01290 -0.08161 0.02544 0.01339 144 2PY -0.01844 0.00592 -0.00353 0.02699 -0.10440 145 2PZ -0.01769 -0.04427 -0.04353 -0.00890 -0.01283 146 3S 0.05222 0.52768 -0.65014 -0.00975 2.90837 147 3PX 0.00655 0.32706 0.05668 0.08503 0.18639 148 3PY 0.04929 0.02793 -0.22653 -0.11447 1.25913 149 3PZ 0.02453 0.08398 0.19479 -0.03219 -0.02568 150 4XX -0.01213 0.35117 -0.01608 -0.19026 -0.27142 151 4YY 0.05039 -0.08920 -0.06242 -0.12351 0.42577 152 4ZZ -0.01645 -0.25468 0.19805 0.30778 -0.43095 153 4XY 0.02986 -0.04801 0.04332 -0.06028 0.06217 154 4XZ 0.01650 0.36104 -0.01673 0.05102 -0.25253 155 4YZ 0.07879 -0.00471 0.17511 0.05405 0.03620 156 20 O 1S 0.00246 -0.00369 -0.02151 -0.00168 -0.05760 157 2S -0.04977 0.04487 0.00218 -0.12050 -0.89104 158 2PX -0.00184 0.01288 0.08160 -0.02543 0.01338 159 2PY 0.01811 0.00596 -0.00354 0.02703 0.10441 160 2PZ -0.01793 0.04422 0.04353 0.00889 -0.01281 161 3S 0.05232 -0.52699 0.65072 0.01109 2.90829 162 3PX 0.00747 -0.32703 -0.05668 -0.08496 0.18650 163 3PY -0.04837 0.02760 -0.22668 -0.11504 -1.25908 164 3PZ 0.02527 -0.08385 -0.19480 0.03216 -0.02595 165 4XX -0.01052 -0.35125 0.01602 0.19016 -0.27148 166 4YY 0.04991 0.08943 0.06236 0.12367 0.42574 167 4ZZ -0.01753 0.25452 -0.19803 -0.30794 -0.43085 168 4XY -0.02960 -0.04803 0.04337 -0.06029 -0.06213 169 4XZ 0.01780 -0.36105 0.01669 -0.05116 -0.25245 170 4YZ -0.07955 -0.00499 0.17521 0.05410 -0.03597 171 21 C 1S 0.00489 0.00002 0.00001 0.00002 0.08206 172 2S -0.17550 -0.00021 0.00009 -0.00011 -0.29250 173 2PX -0.07223 -0.00012 -0.00001 -0.00010 -0.37380 174 2PY 0.00014 -0.05191 -0.01246 -0.06104 -0.00002 175 2PZ 0.02390 0.00007 0.00002 0.00008 0.35299 176 3S 0.08102 -0.00023 -0.00038 -0.00050 -2.19261 177 3PX 0.14393 -0.00001 -0.00022 -0.00016 -0.93039 178 3PY 0.00020 -0.15585 -0.09789 -0.12604 -0.00001 179 3PZ 0.07494 0.00009 0.00005 0.00011 0.48103 180 4XX -0.13682 -0.00019 0.00006 -0.00003 0.01509 181 4YY 0.03576 0.00007 -0.00008 -0.00003 0.08321 182 4ZZ 0.16613 0.00021 0.00000 0.00012 0.07666 183 4XY 0.00025 -0.24317 0.10791 0.00730 -0.00004 184 4XZ 0.00021 0.00007 0.00010 0.00013 0.61930 185 4YZ 0.00009 -0.09489 0.24694 0.21565 -0.00005 186 22 H 1S 0.08118 0.00008 -0.00005 0.00001 -0.06762 187 2S 0.04601 0.00003 -0.00001 0.00003 0.04224 188 23 H 1S -0.10824 -0.00012 0.00007 -0.00001 0.12043 189 2S -0.01707 0.00004 0.00000 0.00004 0.08710 166 167 168 169 170 V V V V V Eigenvalues -- 2.62921 2.67332 2.69128 2.69857 2.70414 1 1 C 1S -0.05644 0.04417 0.02700 -0.00355 0.01311 2 2S 0.03489 0.56490 0.10355 -0.04839 -0.23167 3 2PX 0.18101 -0.08561 -0.10056 -0.17881 0.13140 4 2PY 0.14636 0.04946 -0.05380 -0.05645 -0.07796 5 2PZ -0.10870 0.08225 0.09879 0.25059 -0.13734 6 3S 1.46538 -2.96916 -1.32696 -0.12677 0.67409 7 3PX 0.35814 -0.41347 -0.38681 -0.59166 0.13554 8 3PY 0.69171 -1.64881 -0.64022 -0.01357 0.56619 9 3PZ -0.10454 0.15894 -0.15571 0.84667 -0.21854 10 4XX 0.04020 0.15195 -0.15537 -0.20828 0.34436 11 4YY -0.38836 -0.14021 -0.08107 -0.24047 0.10061 12 4ZZ 0.27742 -0.07392 0.16011 0.39347 -0.34935 13 4XY 0.19198 -0.15513 -0.13664 -0.42445 0.04002 14 4XZ -0.64496 0.16901 0.11360 0.03173 -0.02850 15 4YZ -0.18002 0.14403 -0.15807 0.50593 -0.02162 16 2 H 1S 0.20471 0.02954 0.04113 0.13529 -0.01395 17 2S 0.05616 -0.29567 -0.22415 -0.06148 0.14299 18 3 C 1S 0.03776 -0.08040 -0.02052 -0.02257 0.05437 19 2S -0.03633 -0.33267 -0.07766 0.08580 0.06533 20 2PX 0.27034 -0.07794 -0.03004 -0.15257 0.01626 21 2PY 0.27490 0.19313 -0.07177 -0.02724 -0.26770 22 2PZ -0.20463 0.04004 0.04064 0.14949 -0.02761 23 3S -1.01819 4.59394 1.08686 0.90811 -2.20561 24 3PX 0.45725 -1.32219 -0.47236 -0.32498 0.50643 25 3PY 0.04821 1.55976 -0.03366 -0.38737 -0.85793 26 3PZ -0.41343 1.29909 0.69446 0.27583 -0.36584 27 4XX -0.08527 -0.09884 -0.14155 0.13261 0.37146 28 4YY -0.08696 0.45464 -0.11795 -0.20749 -0.51236 29 4ZZ 0.15919 -0.29868 0.20969 0.18028 0.15016 30 4XY -0.32418 -0.14138 0.08263 0.09018 0.12891 31 4XZ 0.25162 -0.37244 -0.24270 -0.38860 0.10822 32 4YZ 0.24623 0.30735 -0.25982 -0.12281 0.28588 33 4 H 1S -0.09878 -0.19298 0.03148 -0.12351 -0.02688 34 2S -0.09377 0.59580 0.13770 0.10428 -0.15606 35 5 C 1S 0.03781 0.08038 0.02049 -0.02251 -0.05440 36 2S -0.03609 0.33270 0.07780 0.08587 -0.06512 37 2PX 0.27041 0.07778 0.02989 -0.15259 -0.01642 38 2PY -0.27461 0.19328 -0.07187 0.02776 -0.26771 39 2PZ -0.20470 -0.03991 -0.04048 0.14951 0.02775 40 3S -1.02085 -4.59341 -1.08551 0.90540 2.20662 41 3PX 0.45794 1.32171 0.47192 -0.32476 -0.50663 42 3PY -0.04692 1.56030 -0.03262 0.38909 -0.85754 43 3PZ -0.41393 -1.29849 -0.69409 0.27627 0.36590 44 4XX -0.08542 0.09890 0.14179 0.13295 -0.37132 45 4YY -0.08716 -0.45477 0.11757 -0.20866 0.51198 46 4ZZ 0.15950 0.29874 -0.20933 0.18099 -0.14981 47 4XY 0.32410 -0.14149 0.08257 -0.09045 0.12865 48 4XZ 0.25191 0.37224 0.24208 -0.38889 -0.10873 49 4YZ -0.24592 0.30732 -0.25958 0.12277 0.28618 50 6 H 1S -0.09865 0.19302 -0.03180 -0.12345 0.02671 51 2S -0.09409 -0.59574 -0.13751 0.10413 0.15616 52 7 C 1S -0.05645 -0.04414 -0.02704 -0.00349 -0.01313 53 2S 0.03472 -0.56487 -0.10363 -0.04889 0.23159 54 2PX 0.18109 0.08553 0.10028 -0.17878 -0.13161 55 2PY -0.14626 0.04956 -0.05371 0.05662 -0.07797 56 2PZ -0.10877 -0.08221 -0.09834 0.25057 0.13769 57 3S 1.46632 2.96828 1.32744 -0.12697 -0.67375 58 3PX 0.35844 0.41362 0.38601 -0.59210 -0.13637 59 3PY -0.69221 -1.64827 -0.64057 0.01287 0.56590 60 3PZ -0.10485 -0.15934 0.15736 0.84615 0.22007 61 4XX 0.04004 -0.15184 0.15504 -0.20825 -0.34479 62 4YY -0.38846 0.14021 0.08034 -0.24007 -0.10087 63 4ZZ 0.27766 0.07385 -0.15920 0.39312 0.34998 64 4XY -0.19178 -0.15505 -0.13583 0.42462 0.04049 65 4XZ -0.64515 -0.16876 -0.11396 0.03210 0.02847 66 4YZ 0.17986 0.14398 -0.15903 -0.50576 -0.02256 67 8 H 1S 0.20472 -0.02959 -0.04069 0.13534 0.01410 68 2S 0.05624 0.29558 0.22404 -0.06153 -0.14302 69 9 C 1S 0.02313 0.03647 -0.03977 0.03995 -0.00030 70 2S 0.02312 -0.06173 0.00671 -0.05477 -0.23707 71 2PX -0.04886 -0.02101 0.00816 -0.06280 -0.00571 72 2PY -0.11812 0.07545 -0.20467 -0.08064 -0.04965 73 2PZ 0.11309 0.10341 0.03798 0.18790 0.07892 74 3S -0.44777 -1.56454 0.42919 -0.77742 0.81413 75 3PX 0.02513 -0.18806 -0.30838 -0.07323 -0.19754 76 3PY 0.05965 0.57168 -0.54271 -0.19676 -0.61484 77 3PZ 0.32451 0.29547 0.24911 0.43742 -0.07330 78 4XX 0.20429 0.21204 -0.32880 0.21782 0.10035 79 4YY -0.04386 -0.25032 0.60140 0.12679 0.10906 80 4ZZ -0.10839 0.15449 -0.37300 -0.28824 -0.11433 81 4XY 0.00189 -0.02438 0.09261 -0.07618 -0.14320 82 4XZ -0.01396 -0.01751 0.05301 0.15043 0.20733 83 4YZ 0.19613 0.02007 -0.13449 0.24560 0.38097 84 10 H 1S -0.05810 0.01944 0.08614 -0.02849 -0.11720 85 2S -0.06560 0.02557 -0.00591 -0.02851 0.14762 86 11 H 1S -0.02392 -0.00448 0.10093 -0.03586 -0.12584 87 2S 0.02453 -0.03346 -0.16067 -0.04669 -0.01105 88 12 C 1S 0.02310 -0.03649 0.03987 0.03985 0.00037 89 2S 0.02314 0.06167 -0.00686 -0.05520 0.23705 90 2PX -0.04886 0.02105 -0.00832 -0.06283 0.00561 91 2PY 0.11820 0.07541 -0.20443 0.08107 -0.04946 92 2PZ 0.11308 -0.10344 -0.03756 0.18804 -0.07862 93 3S -0.44690 1.56489 -0.43110 -0.77427 -0.81559 94 3PX 0.02501 0.18814 0.30826 -0.07401 0.19746 95 3PY -0.05932 0.57183 -0.54222 0.19884 -0.61456 96 3PZ 0.32450 -0.29558 -0.24815 0.43764 0.07405 97 4XX 0.20403 -0.21213 0.32938 0.21716 -0.09991 98 4YY -0.04346 0.25030 -0.60106 0.12829 -0.10904 99 4ZZ -0.10862 -0.15442 0.37226 -0.28917 0.11396 100 4XY -0.00185 -0.02438 0.09283 0.07621 -0.14308 101 4XZ -0.01370 0.01743 -0.05268 0.15106 -0.20714 102 4YZ -0.19608 0.02030 -0.13542 -0.24575 0.38044 103 13 H 1S -0.02381 0.00444 -0.10103 -0.03581 0.12582 104 2S 0.02438 0.03356 0.16062 -0.04704 0.01096 105 14 H 1S -0.05814 -0.01940 -0.08622 -0.02860 0.11712 106 2S -0.06558 -0.02553 0.00582 -0.02838 -0.14773 107 15 C 1S -0.00644 -0.02315 -0.03305 0.00830 -0.03895 108 2S -0.09294 -0.14459 -0.07927 -0.04399 -0.03852 109 2PX -0.10748 0.12294 0.04325 0.05335 -0.04660 110 2PY -0.01170 0.18333 0.20357 0.02925 0.19177 111 2PZ 0.00836 -0.07198 -0.04018 -0.05667 0.00743 112 3S 0.30326 1.06750 1.26683 -0.15877 1.28827 113 3PX -0.04099 0.03733 -0.09436 0.05449 -0.04566 114 3PY -0.07785 0.67121 0.83765 0.06599 0.65012 115 3PZ 0.08394 0.36116 0.29278 -0.00824 0.07233 116 4XX 0.04619 -0.21044 -0.29472 -0.00867 -0.18456 117 4YY -0.02378 0.37410 0.43823 0.01043 0.41841 118 4ZZ 0.01218 -0.09790 -0.10658 0.00873 -0.22271 119 4XY -0.02946 -0.04335 -0.02392 -0.08113 0.09152 120 4XZ -0.11379 0.16443 0.00663 0.03872 -0.10095 121 4YZ 0.00200 -0.01209 0.13430 0.05633 0.14881 122 16 H 1S -0.06023 0.02853 -0.09000 -0.01200 -0.13234 123 2S -0.00937 0.18178 0.23672 0.07770 0.10768 124 17 C 1S -0.00648 0.02315 0.03306 0.00818 0.03896 125 2S -0.09308 0.14470 0.07917 -0.04406 0.03823 126 2PX -0.10756 -0.12287 -0.04320 0.05337 0.04671 127 2PY 0.01153 0.18324 0.20350 -0.02997 0.19175 128 2PZ 0.00835 0.07202 0.04013 -0.05675 -0.00753 129 3S 0.30491 -1.06770 -1.26686 -0.15523 -1.28837 130 3PX -0.04106 -0.03725 0.09448 0.05444 0.04575 131 3PY 0.07707 0.67145 0.83775 -0.06823 0.64990 132 3PZ 0.08423 -0.36119 -0.29257 -0.00799 -0.07196 133 4XX 0.04601 0.21040 0.29474 -0.00963 0.18456 134 4YY -0.02346 -0.37412 -0.43830 0.01206 -0.41845 135 4ZZ 0.01200 0.09789 0.10662 0.00815 0.22285 136 4XY 0.02956 -0.04331 -0.02373 0.08108 0.09172 137 4XZ -0.11383 -0.16433 -0.00661 0.03861 0.10102 138 4YZ -0.00210 -0.01224 0.13401 -0.05686 0.14850 139 18 H 1S -0.06034 -0.02853 0.08990 -0.01245 0.13229 140 2S -0.00920 -0.18187 -0.23661 0.07821 -0.10741 141 19 O 1S 0.01665 -0.03029 -0.02188 -0.00956 -0.00115 142 2S 0.19322 -0.24019 -0.12906 0.02106 -0.01807 143 2PX -0.00728 0.02363 0.03112 0.01262 0.01051 144 2PY 0.02046 -0.00373 0.00254 0.01710 0.00924 145 2PZ -0.01242 -0.00237 -0.01013 0.00317 -0.02242 146 3S -0.71298 0.70166 0.39772 0.03683 -0.00217 147 3PX -0.07872 -0.13581 -0.18168 0.05281 -0.13081 148 3PY -0.27124 0.33393 0.20874 -0.06928 0.02718 149 3PZ 0.06832 0.02824 0.07155 -0.09616 0.14459 150 4XX 0.06459 -0.12507 -0.11629 0.08145 -0.00541 151 4YY -0.07922 0.15923 0.12451 -0.17720 0.09054 152 4ZZ 0.10130 -0.14362 -0.07762 0.04108 -0.05802 153 4XY -0.05215 -0.06555 -0.10878 0.01756 -0.06353 154 4XZ 0.07389 -0.23172 -0.14965 -0.14203 0.05345 155 4YZ 0.02001 0.05927 0.07095 -0.00675 0.03575 156 20 O 1S 0.01664 0.03027 0.02187 -0.00962 0.00113 157 2S 0.19332 0.23997 0.12921 0.02063 0.01815 158 2PX -0.00724 -0.02362 -0.03108 0.01272 -0.01049 159 2PY -0.02049 -0.00370 0.00250 -0.01711 0.00916 160 2PZ -0.01244 0.00236 0.01012 0.00311 0.02243 161 3S -0.71320 -0.70089 -0.39802 0.03822 0.00214 162 3PX -0.07894 0.13584 0.18172 0.05227 0.13082 163 3PY 0.27129 0.33358 0.20900 0.06862 0.02746 164 3PZ 0.06848 -0.02817 -0.07163 -0.09581 -0.14471 165 4XX 0.06452 0.12500 0.11649 0.08117 0.00564 166 4YY -0.07917 -0.15915 -0.12493 -0.17677 -0.09106 167 4ZZ 0.10130 0.14355 0.07776 0.04078 0.05819 168 4XY 0.05222 -0.06561 -0.10883 -0.01716 -0.06344 169 4XZ 0.07388 0.23163 0.14939 -0.14233 -0.05384 170 4YZ -0.02010 0.05920 0.07090 0.00645 0.03566 171 21 C 1S -0.01650 0.00001 -0.00001 -0.00568 0.00000 172 2S -0.03445 -0.00001 -0.00004 -0.02939 0.00002 173 2PX 0.05108 -0.00004 0.00002 0.01268 0.00002 174 2PY -0.00002 0.28071 0.22960 -0.00036 0.08164 175 2PZ -0.06768 0.00008 -0.00002 -0.03311 -0.00002 176 3S 0.55991 -0.00031 0.00031 0.18115 0.00008 177 3PX 0.28529 -0.00016 0.00027 0.20442 0.00020 178 3PY -0.00005 0.38970 0.32618 -0.00051 0.15305 179 3PZ -0.11467 0.00010 0.00001 -0.00571 0.00000 180 4XX 0.02377 0.00001 0.00006 0.06740 0.00012 181 4YY -0.05744 0.00007 -0.00009 -0.13664 -0.00023 182 4ZZ 0.02734 -0.00006 0.00006 0.09623 0.00012 183 4XY -0.00003 0.33588 0.27197 -0.00040 0.10745 184 4XZ -0.15416 0.00012 -0.00011 -0.10098 -0.00011 185 4YZ 0.00003 -0.27351 -0.22814 0.00034 -0.11993 186 22 H 1S 0.01169 -0.00002 0.00001 0.00831 -0.00001 187 2S 0.01863 -0.00001 0.00008 0.07063 0.00009 188 23 H 1S -0.04646 0.00003 -0.00008 -0.06888 -0.00008 189 2S -0.04111 0.00001 -0.00001 0.00518 0.00004 171 172 173 174 175 V V V V V Eigenvalues -- 2.73704 2.75655 2.83402 2.84921 2.85995 1 1 C 1S -0.00281 -0.09465 -0.00777 -0.04366 -0.01216 2 2S -0.03082 -1.13375 -0.24544 -0.84435 -0.07117 3 2PX 0.03289 0.16037 0.00551 0.04560 0.01112 4 2PY 0.00923 -0.02845 -0.03850 -0.09007 0.00398 5 2PZ -0.05485 0.00103 0.03206 -0.12168 -0.02461 6 3S 0.17339 5.54250 0.56351 2.66132 0.51732 7 3PX 0.13042 0.23235 -0.05591 0.04205 0.11242 8 3PY 0.00658 2.59868 0.28865 1.39535 0.23451 9 3PZ -0.29998 0.38417 -0.03939 -0.23418 -0.25399 10 4XX 0.06559 -0.16686 -0.01069 0.22797 0.03350 11 4YY 0.06122 0.19990 0.00852 0.07771 0.00191 12 4ZZ -0.10170 0.25644 0.08439 -0.06340 -0.02192 13 4XY 0.10631 0.21860 -0.00809 0.00135 0.06240 14 4XZ 0.01267 -0.30940 -0.01199 0.00408 -0.04573 15 4YZ -0.11114 0.06985 -0.00365 -0.15058 -0.06058 16 2 H 1S -0.05952 -0.12704 -0.00994 -0.01851 -0.00859 17 2S 0.02819 0.59887 0.07969 0.25649 0.06759 18 3 C 1S 0.00712 0.05738 0.00226 0.02094 0.01163 19 2S 0.03066 0.35939 -0.06175 0.06737 0.11746 20 2PX 0.02849 0.13607 0.02763 0.06864 0.02973 21 2PY -0.00020 0.12465 0.00891 0.01266 0.04278 22 2PZ -0.04092 -0.09899 -0.00625 -0.04889 -0.03913 23 3S -0.37624 -4.50776 -0.20761 -2.12854 -0.55295 24 3PX 0.12299 1.70146 0.07949 0.82184 0.23433 25 3PY 0.14681 -0.99430 -0.01867 -0.43439 0.06507 26 3PZ -0.05105 -1.68573 -0.07314 -0.79641 -0.11217 27 4XX -0.03884 -0.16578 -0.02330 0.03555 -0.05375 28 4YY 0.04663 0.16376 0.02474 -0.01943 0.00313 29 4ZZ -0.04568 0.00922 0.04286 -0.02368 0.00955 30 4XY -0.01490 -0.01183 -0.01534 0.02891 -0.02432 31 4XZ 0.09916 0.38113 -0.03175 0.11689 0.07157 32 4YZ 0.01562 -0.16241 -0.04445 -0.00796 0.01783 33 4 H 1S 0.05522 0.11363 -0.01001 0.00784 0.03104 34 2S -0.00696 -0.59141 -0.01284 -0.27287 -0.03262 35 5 C 1S 0.00707 -0.05739 -0.00226 -0.02095 0.01163 36 2S 0.03024 -0.35927 0.06176 -0.06743 0.11743 37 2PX 0.02834 -0.13610 -0.02763 -0.06870 0.02969 38 2PY 0.00045 0.12451 0.00890 0.01269 -0.04272 39 2PZ -0.04082 0.09906 0.00624 0.04898 -0.03910 40 3S -0.37176 4.50794 0.20761 2.12912 -0.55169 41 3PX 0.12120 -1.70129 -0.07950 -0.82201 0.23375 42 3PY -0.14766 -0.99470 -0.01870 -0.43462 -0.06513 43 3PZ -0.04925 1.68535 0.07311 0.79640 -0.11163 44 4XX -0.03850 0.16583 0.02331 -0.03553 -0.05376 45 4YY 0.04627 -0.16383 -0.02474 0.01944 0.00311 46 4ZZ -0.04565 -0.00922 -0.04290 0.02368 0.00959 47 4XY 0.01481 -0.01162 -0.01533 0.02888 0.02428 48 4XZ 0.09876 -0.38117 0.03177 -0.11700 0.07148 49 4YZ -0.01587 -0.16254 -0.04445 -0.00794 -0.01776 50 6 H 1S 0.05507 -0.11373 0.01001 -0.00788 0.03105 51 2S -0.00631 0.59134 0.01284 0.27289 -0.03245 52 7 C 1S -0.00269 0.09464 0.00777 0.04368 -0.01212 53 2S -0.02961 1.13378 0.24544 0.84440 -0.07057 54 2PX 0.03273 -0.16038 -0.00549 -0.04555 0.01106 55 2PY -0.00921 -0.02852 -0.03850 -0.09009 -0.00402 56 2PZ -0.05489 -0.00095 -0.03208 0.12173 -0.02449 57 3S 0.16723 -5.54209 -0.56349 -2.66208 0.51544 58 3PX 0.13021 -0.23304 0.05587 -0.04239 0.11246 59 3PY -0.00373 2.59842 0.28865 1.39557 -0.23355 60 3PZ -0.30050 -0.38298 0.03952 0.23480 -0.25378 61 4XX 0.06596 0.16657 0.01069 -0.22811 0.03331 62 4YY 0.06096 -0.19987 -0.00850 -0.07758 0.00182 63 4ZZ -0.10207 -0.25620 -0.08441 0.06340 -0.02180 64 4XY -0.10609 0.21877 -0.00809 0.00143 -0.06237 65 4XZ 0.01295 0.30918 0.01195 -0.00397 -0.04578 66 4YZ 0.11124 0.06971 -0.00364 -0.15070 0.06040 67 8 H 1S -0.05937 0.12707 0.00993 0.01850 -0.00855 68 2S 0.02759 -0.59884 -0.07970 -0.25653 0.06747 69 9 C 1S -0.01255 -0.04812 -0.00917 0.00098 -0.00818 70 2S -0.04437 -0.38406 -0.01045 0.13572 0.04160 71 2PX 0.02483 0.07636 0.00393 -0.02554 -0.02059 72 2PY 0.03263 0.12073 0.00626 -0.05018 -0.01399 73 2PZ -0.03460 -0.21651 -0.03265 -0.08401 -0.00883 74 3S 0.29144 3.30927 0.37245 0.73216 0.07532 75 3PX -0.03268 0.30399 0.04483 0.48024 0.05347 76 3PY 0.04459 -0.09469 -0.08040 -0.23390 0.08179 77 3PZ -0.15188 -1.28559 -0.10402 0.07070 0.01661 78 4XX -0.04715 0.00136 -0.02811 -0.04993 -0.02623 79 4YY -0.02834 -0.33403 -0.00141 0.16100 -0.03509 80 4ZZ 0.07315 0.35913 0.00828 -0.14079 0.00758 81 4XY 0.02144 0.02145 0.00258 -0.08710 0.02710 82 4XZ -0.01695 -0.15199 -0.01272 0.03130 0.02585 83 4YZ -0.05983 -0.07843 -0.02327 0.06361 -0.01376 84 10 H 1S -0.00173 -0.12352 -0.00687 -0.05946 -0.03004 85 2S 0.03821 -0.01680 -0.02118 -0.19944 -0.03067 86 11 H 1S 0.00450 -0.17641 -0.01469 0.02002 0.02028 87 2S -0.03970 -0.07164 0.02138 0.11116 0.00084 88 12 C 1S -0.01250 0.04816 0.00917 -0.00097 -0.00818 89 2S -0.04401 0.38423 0.01047 -0.13575 0.04152 90 2PX 0.02475 -0.07645 -0.00394 0.02555 -0.02056 91 2PY -0.03249 0.12077 0.00625 -0.05021 0.01392 92 2PZ -0.03433 0.21663 0.03266 0.08402 -0.00880 93 3S 0.28786 -3.31012 -0.37253 -0.73219 0.07484 94 3PX -0.03307 -0.30416 -0.04485 -0.48033 0.05315 95 3PY -0.04446 -0.09500 -0.08041 -0.23382 -0.08201 96 3PZ -0.15048 1.28605 0.10402 -0.07086 0.01648 97 4XX -0.04706 -0.00129 0.02810 0.04998 -0.02619 98 4YY -0.02800 0.33414 0.00142 -0.16101 -0.03531 99 4ZZ 0.07274 -0.35933 -0.00829 0.14077 0.00777 100 4XY -0.02136 0.02143 0.00257 -0.08708 -0.02719 101 4XZ -0.01678 0.15218 0.01274 -0.03132 0.02579 102 4YZ 0.05956 -0.07837 -0.02327 0.06350 0.01380 103 13 H 1S 0.00462 0.17644 0.01470 -0.02003 0.02026 104 2S -0.03960 0.07162 -0.02138 -0.11120 0.00076 105 14 H 1S -0.00161 0.12349 0.00687 0.05949 -0.03000 106 2S 0.03829 0.01672 0.02119 0.19950 -0.03051 107 15 C 1S 0.02911 0.00664 -0.00760 0.12078 0.03898 108 2S -0.03906 0.15639 0.11817 0.97263 -0.16719 109 2PX 0.23067 -0.02964 0.07816 0.20788 0.32222 110 2PY 0.16224 0.18525 0.22725 -0.25211 0.09880 111 2PZ -0.13738 -0.05214 -0.05167 0.04583 -0.23224 112 3S -0.66042 -0.62483 0.09488 -6.63875 -1.10204 113 3PX 0.17334 0.06079 -0.02312 0.68654 0.41834 114 3PY 0.17369 0.27715 0.20530 -2.67569 0.35363 115 3PZ -0.21416 -0.56361 -0.14389 -2.30702 -0.37884 116 4XX -0.00455 -0.24307 -0.19706 0.15593 -0.21474 117 4YY -0.04856 0.45554 0.45707 -0.52135 0.21502 118 4ZZ 0.07713 -0.15518 -0.25908 0.13880 -0.04278 119 4XY -0.21419 0.00981 0.45028 0.04862 -0.16216 120 4XZ 0.19435 -0.08197 0.08859 0.31588 0.40686 121 4YZ 0.17046 0.12566 -0.54979 -0.35511 0.12872 122 16 H 1S 0.00380 -0.10521 0.29941 0.24537 0.03599 123 2S 0.05356 0.08990 -0.13620 -0.84907 0.04374 124 17 C 1S 0.02909 -0.00668 0.00760 -0.12082 0.03889 125 2S -0.03922 -0.15669 -0.11817 -0.97260 -0.16794 126 2PX 0.23066 0.02938 -0.07820 -0.20814 0.32201 127 2PY -0.16201 0.18552 0.22726 -0.25204 -0.09892 128 2PZ -0.13733 0.05230 0.05176 -0.04572 -0.23226 129 3S -0.65926 0.62590 -0.09471 6.63992 -1.09684 130 3PX 0.17324 -0.06107 0.02308 -0.68681 0.41789 131 3PY -0.17355 0.27692 0.20531 -2.67595 -0.35558 132 3PZ -0.21351 0.56428 0.14400 2.30675 -0.37712 133 4XX -0.00436 0.24312 0.19709 -0.15568 -0.21489 134 4YY -0.04890 -0.45546 -0.45685 0.52131 0.21550 135 4ZZ 0.07722 0.15518 0.25883 -0.13894 -0.04291 136 4XY 0.21419 0.00956 0.45023 0.04857 0.16211 137 4XZ 0.19443 0.08167 -0.08848 -0.31613 0.40661 138 4YZ -0.17041 0.12564 -0.54996 -0.35475 -0.12897 139 18 H 1S 0.00385 0.10520 -0.29937 -0.24531 0.03574 140 2S 0.05352 -0.08977 0.13618 0.84894 0.04441 141 19 O 1S -0.05219 -0.01491 0.03214 -0.02767 -0.00569 142 2S -0.46901 -0.35475 0.05445 -0.86423 -0.06497 143 2PX 0.00106 0.00226 -0.03825 -0.04637 -0.06104 144 2PY 0.05349 0.00392 -0.02764 -0.04407 0.05830 145 2PZ -0.00239 -0.02427 0.02732 0.00985 0.04422 146 3S 1.72188 1.11302 -0.43283 2.95673 0.23040 147 3PX 0.16193 0.06177 0.21050 0.61876 1.11607 148 3PY 0.37179 0.34605 -0.08652 0.98650 -0.37423 149 3PZ -0.06100 0.09167 -0.14227 -0.13814 -0.84284 150 4XX 0.21310 -0.04158 -0.04612 0.03793 0.28957 151 4YY -0.39481 0.15496 0.15095 0.24910 -0.33533 152 4ZZ -0.05584 -0.08919 0.08007 -0.26186 0.07933 153 4XY -0.19337 -0.12622 0.41829 -0.03808 0.63632 154 4XZ -0.58557 -0.08027 0.19660 -0.16383 -0.25355 155 4YZ 0.18157 0.11969 -0.26985 0.14658 -0.48899 156 20 O 1S -0.05217 0.01498 -0.03213 0.02768 -0.00567 157 2S -0.46862 0.35551 -0.05445 0.86427 -0.06429 158 2PX 0.00106 -0.00228 0.03825 0.04642 -0.06100 159 2PY -0.05349 0.00393 -0.02762 -0.04402 -0.05834 160 2PZ -0.00238 0.02429 -0.02732 -0.00990 0.04420 161 3S 1.72061 -1.11566 0.43274 -2.95693 0.22809 162 3PX 0.16178 -0.06197 -0.21057 -0.61972 1.11553 163 3PY -0.37138 0.34689 -0.08660 0.98613 0.37523 164 3PZ -0.06109 -0.09156 0.14233 0.13906 -0.84259 165 4XX 0.21314 0.04144 0.04608 -0.03818 0.28958 166 4YY -0.39488 -0.15478 -0.15071 -0.24886 -0.33576 167 4ZZ -0.05582 0.08943 -0.08022 0.26188 0.07971 168 4XY 0.19348 -0.12646 0.41836 -0.03758 -0.63622 169 4XZ -0.58541 0.08092 -0.19640 0.16401 -0.25356 170 4YZ -0.18160 0.11987 -0.26988 0.14606 0.48895 171 21 C 1S 0.05018 -0.00004 0.00000 0.00004 -0.08411 172 2S -0.04151 0.00013 -0.00002 -0.00006 0.16555 173 2PX -0.15207 0.00015 -0.00001 -0.00012 0.28463 174 2PY 0.00012 0.31236 -0.32847 0.53527 0.00023 175 2PZ 0.14378 -0.00010 -0.00003 0.00018 -0.25335 176 3S -1.27320 0.00097 -0.00005 -0.00085 2.03654 177 3PX -0.21050 0.00018 -0.00002 -0.00023 0.43753 178 3PY 0.00013 0.34076 -0.35581 0.33118 0.00015 179 3PZ 0.09243 -0.00006 -0.00002 0.00011 -0.31523 180 4XX 0.42434 -0.00026 -0.00001 0.00009 -0.26717 181 4YY -0.74791 0.00046 -0.00003 -0.00011 0.46986 182 4ZZ 0.40027 -0.00029 0.00004 0.00006 -0.28468 183 4XY 0.00019 0.34072 -0.20966 0.47280 0.00018 184 4XZ -0.01551 -0.00001 -0.00001 0.00014 -0.18930 185 4YZ -0.00027 -0.25461 0.25300 -0.34927 -0.00002 186 22 H 1S -0.08437 0.00005 0.00000 -0.00001 -0.00549 187 2S 0.17880 -0.00012 -0.00001 0.00003 -0.13111 188 23 H 1S -0.06428 0.00003 0.00001 0.00002 -0.04327 189 2S 0.23639 -0.00016 -0.00001 0.00011 -0.14864 176 177 178 179 180 V V V V V Eigenvalues -- 2.94539 3.11854 3.14240 4.01457 4.14540 1 1 C 1S 0.00175 -0.01121 0.06204 0.00819 -0.00063 2 2S 0.31241 -0.48349 0.29691 -0.24815 0.62829 3 2PX 0.21755 -0.03706 -0.17085 -0.00098 -0.03601 4 2PY 0.14385 -0.06944 -0.02706 -0.01250 0.00718 5 2PZ -0.23484 -0.03055 0.11803 -0.00972 0.02527 6 3S 0.03071 1.12471 -2.67310 0.49300 -2.00473 7 3PX 0.88955 -0.05013 -0.18023 0.10326 -0.00021 8 3PY -0.19657 0.62482 -1.30821 0.30762 -1.20504 9 3PZ -1.12380 -0.15942 -0.18727 -0.15934 -0.06024 10 4XX 0.13977 0.10689 -0.13733 0.10934 -0.22807 11 4YY 0.01669 0.18379 0.42910 0.07569 -0.15735 12 4ZZ -0.16293 -0.10074 -0.33707 0.09011 -0.20342 13 4XY 0.39721 0.00219 0.03331 0.02240 -0.00554 14 4XZ -0.18625 0.14203 0.43532 -0.01659 0.09919 15 4YZ -0.45261 -0.03976 0.00486 -0.04394 0.00508 16 2 H 1S -0.02708 -0.07309 -0.20904 -0.00612 -0.01113 17 2S -0.02928 0.19027 -0.15952 0.12588 -0.31628 18 3 C 1S 0.00085 -0.00068 -0.06055 -0.01625 0.00164 19 2S -0.02348 0.20228 -0.01477 0.23517 -0.42863 20 2PX 0.17134 -0.00293 -0.08731 0.02892 -0.03970 21 2PY 0.40617 0.02188 0.08216 0.03415 0.02066 22 2PZ -0.15458 -0.02004 0.05247 -0.03511 0.04050 23 3S 0.27611 -1.00189 2.84034 -0.39633 2.10687 24 3PX 0.62701 0.42701 -0.94586 0.18615 -0.85729 25 3PY 1.48747 -0.16087 0.77474 0.05029 0.65781 26 3PZ -0.39886 -0.21252 0.96091 -0.09593 0.67110 27 4XX -0.36776 -0.06803 -0.13326 -0.13312 0.15719 28 4YY 0.65058 0.10260 0.38467 -0.08740 0.20677 29 4ZZ -0.24715 -0.11806 -0.31733 -0.09120 0.09117 30 4XY -0.28313 0.20250 0.53085 -0.01353 0.03079 31 4XZ 0.38273 0.05082 -0.04196 0.04458 -0.07949 32 4YZ 0.30964 -0.13835 -0.42356 0.00519 -0.03906 33 4 H 1S -0.00045 0.12273 0.29140 0.03385 0.00947 34 2S 0.04317 -0.12824 0.19107 -0.04184 0.29048 35 5 C 1S -0.00085 0.00067 0.06055 -0.01625 -0.00252 36 2S 0.02342 -0.20222 0.01477 0.23524 0.43488 37 2PX -0.17141 0.00290 0.08727 0.02894 0.03968 38 2PY 0.40611 0.02189 0.08224 -0.03414 0.02045 39 2PZ 0.15465 0.02007 -0.05244 -0.03512 -0.04036 40 3S -0.27616 1.00204 -2.84024 -0.39676 -2.10593 41 3PX -0.62730 -0.42703 0.94570 0.18639 0.85764 42 3PY 1.48720 -0.16096 0.77511 -0.05026 0.65814 43 3PZ 0.39919 0.21249 -0.96067 -0.09611 -0.67141 44 4XX 0.36787 0.06794 0.13309 -0.13315 -0.16072 45 4YY -0.65077 -0.10250 -0.38432 -0.08740 -0.21001 46 4ZZ 0.24724 0.11800 0.31714 -0.09122 -0.09463 47 4XY -0.28285 0.20254 0.53092 0.01352 0.03073 48 4XZ -0.38283 -0.05077 0.04212 0.04460 0.07953 49 4YZ 0.30934 -0.13840 -0.42370 -0.00518 -0.03900 50 6 H 1S 0.00047 -0.12274 -0.29139 0.03386 -0.00905 51 2S -0.04316 0.12823 -0.19106 -0.04189 -0.29135 52 7 C 1S -0.00175 0.01122 -0.06203 0.00818 -0.00010 53 2S -0.31242 0.48345 -0.29689 -0.24816 -0.62389 54 2PX -0.21758 0.03711 0.17082 -0.00099 0.03620 55 2PY 0.14374 -0.06944 -0.02697 0.01252 0.00703 56 2PZ 0.23485 0.03056 -0.11803 -0.00973 -0.02515 57 3S -0.03062 -1.12495 2.67293 0.49322 2.00676 58 3PX -0.88943 0.05002 0.18050 0.10351 0.00076 59 3PY -0.19702 0.62489 -1.30816 -0.30779 -1.20519 60 3PZ 1.12378 0.15966 0.18694 -0.15963 0.05942 61 4XX -0.13991 -0.10695 0.13735 0.10935 0.22550 62 4YY -0.01636 -0.18370 -0.42910 0.07567 0.15440 63 4ZZ 0.16275 0.10075 0.33704 0.09013 0.20119 64 4XY 0.39709 0.00227 0.03353 -0.02241 -0.00559 65 4XZ 0.18647 -0.14200 -0.43520 -0.01660 -0.09946 66 4YZ -0.45261 -0.03989 0.00455 0.04396 0.00496 67 8 H 1S 0.02707 0.07305 0.20905 -0.00609 0.01156 68 2S 0.02927 -0.19029 0.15951 0.12596 0.31561 69 9 C 1S 0.00061 0.01403 0.03734 0.02980 -0.02254 70 2S -0.04362 0.14515 -0.04841 -0.22088 0.43221 71 2PX -0.03686 -0.02656 -0.02326 0.00305 -0.06486 72 2PY -0.13521 -0.01308 -0.06197 0.01674 -0.00275 73 2PZ 0.13571 -0.03219 0.16973 0.00482 0.02963 74 3S -0.38565 -0.09533 -1.47540 -0.08459 -1.10790 75 3PX -0.10929 0.34197 -0.28709 -0.10409 0.04194 76 3PY -0.70301 0.02163 0.09944 0.00303 0.36792 77 3PZ 0.60807 0.13223 0.37285 0.05136 0.66628 78 4XX -0.02121 0.02888 0.20359 0.14150 -0.12057 79 4YY 0.36800 -0.00852 0.00136 0.11698 -0.22016 80 4ZZ -0.35087 -0.04543 -0.07764 0.09749 -0.21463 81 4XY -0.03153 -0.05176 -0.05018 0.01102 0.00122 82 4XZ 0.12123 -0.01068 -0.00900 0.02899 0.07413 83 4YZ 0.09055 0.10468 0.29914 0.00510 0.00864 84 10 H 1S 0.00580 -0.03410 0.03545 -0.01964 -0.01112 85 2S 0.00711 -0.13267 0.10856 0.05738 -0.16637 86 11 H 1S 0.02585 0.01696 -0.03989 -0.00054 0.13867 87 2S -0.02439 0.13230 0.05338 -0.07334 -0.18825 88 12 C 1S -0.00061 -0.01403 -0.03734 0.02980 0.02151 89 2S 0.04366 -0.14512 0.04843 -0.22090 -0.42592 90 2PX 0.03689 0.02656 0.02330 0.00305 0.06488 91 2PY -0.13516 -0.01309 -0.06194 -0.01674 -0.00261 92 2PZ -0.13575 0.03220 -0.16978 0.00480 -0.02971 93 3S 0.38566 0.09531 1.47552 -0.08451 1.11137 94 3PX 0.10938 -0.34195 0.28718 -0.10409 -0.04187 95 3PY -0.70289 0.02168 0.09954 -0.00290 0.36767 96 3PZ -0.60821 -0.13228 -0.37284 0.05149 -0.66579 97 4XX 0.02125 -0.02888 -0.20360 0.14152 0.11652 98 4YY -0.36806 0.00847 -0.00151 0.11700 0.21663 99 4ZZ 0.35088 0.04546 0.07777 0.09748 0.21063 100 4XY -0.03150 -0.05179 -0.05022 -0.01102 0.00120 101 4XZ -0.12131 0.01065 0.00889 0.02899 -0.07422 102 4YZ 0.09032 0.10467 0.29915 -0.00511 0.00879 103 13 H 1S -0.02587 -0.01695 0.03987 -0.00056 -0.13830 104 2S 0.02437 -0.13230 -0.05335 -0.07339 0.18725 105 14 H 1S -0.00579 0.03411 -0.03544 -0.01966 0.01150 106 2S -0.00712 0.13268 -0.10858 0.05734 0.16518 107 15 C 1S -0.02477 0.06932 -0.04062 -0.02841 0.08418 108 2S -0.31521 0.38751 -0.23910 0.40574 -0.96771 109 2PX -0.04764 0.38468 -0.11616 0.06549 -0.15621 110 2PY 0.04591 0.20991 -0.05787 0.06392 0.10507 111 2PZ -0.02175 -0.15894 0.05136 -0.00416 0.06610 112 3S 1.69515 -3.66666 2.26073 -0.95528 2.92060 113 3PX -0.22859 1.03332 -0.53594 0.35859 -1.15741 114 3PY 0.69934 -0.64301 0.77188 0.09357 0.62671 115 3PZ 0.66378 -1.80933 1.03420 -0.41096 1.55273 116 4XX -0.01628 -0.31793 0.08922 -0.12913 0.47444 117 4YY 0.10589 0.23456 -0.02833 -0.14055 0.58354 118 4ZZ 0.02117 -0.02356 -0.00405 -0.12507 0.44074 119 4XY 0.02159 -0.39806 0.13014 0.07719 -0.01377 120 4XZ -0.06281 0.47565 -0.17032 0.06811 -0.13017 121 4YZ 0.01784 0.29595 -0.11427 -0.05905 0.03223 122 16 H 1S -0.01647 -0.13461 0.08511 0.10882 -0.08315 123 2S 0.21022 -0.32304 0.26886 -0.06717 0.47089 124 17 C 1S 0.02477 -0.06934 0.04062 -0.02841 -0.08524 125 2S 0.31529 -0.38761 0.23919 0.40578 0.97468 126 2PX 0.04760 -0.38468 0.11617 0.06549 0.15642 127 2PY 0.04591 0.20986 -0.05787 -0.06393 0.10467 128 2PZ 0.02180 0.15897 -0.05136 -0.00419 -0.06627 129 3S -1.69500 3.66697 -2.26080 -0.95540 -2.91800 130 3PX 0.22854 -1.03331 0.53595 0.35864 1.15722 131 3PY 0.69964 -0.64341 0.77221 -0.09343 0.62744 132 3PZ -0.66361 1.80927 -1.03409 -0.41102 -1.55272 133 4XX 0.01628 0.31799 -0.08926 -0.12916 -0.47889 134 4YY -0.10592 -0.23471 0.02836 -0.14057 -0.58742 135 4ZZ -0.02116 0.02364 0.00399 -0.12507 -0.44500 136 4XY 0.02154 -0.39792 0.13010 -0.07719 -0.01367 137 4XZ 0.06274 -0.47576 0.17036 0.06809 0.13027 138 4YZ 0.01783 0.29589 -0.11427 0.05903 0.03219 139 18 H 1S 0.01644 0.13461 -0.08512 0.10879 0.08362 140 2S -0.21025 0.32298 -0.26888 -0.06717 -0.47202 141 19 O 1S 0.00807 0.00067 -0.00886 -0.38688 0.39419 142 2S 0.17396 -0.47674 0.25825 -0.42768 0.60919 143 2PX -0.01080 -0.00846 0.00187 -0.05448 0.08229 144 2PY 0.01736 0.03110 -0.00869 -0.13429 0.16568 145 2PZ 0.00767 0.00313 0.00838 0.02325 -0.00594 146 3S -0.70451 1.70417 -0.86594 4.75123 -5.28506 147 3PX -0.14369 1.40307 -0.55802 0.20696 -0.90061 148 3PY -0.24067 0.09022 -0.14505 0.98182 -0.83602 149 3PZ 0.03841 -0.92575 0.31479 -0.06748 0.43205 150 4XX -0.01714 0.46251 -0.21172 -1.22856 1.15351 151 4YY -0.02741 -0.32190 0.06239 -1.13768 1.25113 152 4ZZ 0.04519 0.12489 -0.06110 -1.31314 1.33881 153 4XY -0.01054 0.43590 -0.14814 -0.05844 -0.15412 154 4XZ 0.03392 -0.37520 0.11880 -0.10957 0.23605 155 4YZ -0.03380 -0.33874 0.10314 0.07383 0.07796 156 20 O 1S -0.00807 -0.00067 0.00885 -0.38688 -0.39421 157 2S -0.17388 0.47682 -0.25826 -0.42769 -0.60939 158 2PX 0.01081 0.00848 -0.00187 -0.05449 -0.08208 159 2PY 0.01737 0.03109 -0.00869 0.13428 0.16565 160 2PZ -0.00766 -0.00314 -0.00839 0.02328 0.00584 161 3S 0.70434 -1.70431 0.86597 4.75129 5.28575 162 3PX 0.14352 -1.40316 0.55807 0.20702 0.90070 163 3PY -0.24070 0.09000 -0.14497 -0.98180 -0.83634 164 3PZ -0.03838 0.92577 -0.31483 -0.06773 -0.43227 165 4XX 0.01708 -0.46259 0.21174 -1.22855 -1.15326 166 4YY 0.02748 0.32205 -0.06244 -1.13766 -1.25127 167 4ZZ -0.04523 -0.12498 0.06111 -1.31317 -1.33869 168 4XY -0.01048 0.43581 -0.14812 0.05846 -0.15436 169 4XZ -0.03388 0.37532 -0.11883 -0.10956 -0.23652 170 4YZ -0.03382 -0.33859 0.10310 -0.07378 0.07819 171 21 C 1S 0.00000 0.00000 0.00000 -0.13443 0.00018 172 2S -0.00002 0.00001 -0.00001 1.13653 -0.00067 173 2PX -0.00002 0.00001 0.00000 -0.15859 0.00000 174 2PY -0.11224 -0.27236 0.03995 -0.00001 -0.08166 175 2PZ -0.00001 -0.00003 0.00000 0.12014 -0.00001 176 3S -0.00006 0.00002 0.00003 -1.95745 -0.00157 177 3PX 0.00003 0.00001 0.00002 -0.63042 -0.00027 178 3PY -0.05804 -0.73741 0.22822 -0.00008 -0.33588 179 3PZ 0.00003 -0.00012 0.00004 0.54733 0.00021 180 4XX 0.00001 0.00000 0.00000 -0.65721 0.00057 181 4YY -0.00002 -0.00007 0.00002 -0.48632 0.00062 182 4ZZ 0.00002 0.00005 -0.00002 -0.63972 0.00058 183 4XY -0.08104 -0.33269 0.07087 -0.00001 0.04797 184 4XZ -0.00001 -0.00005 0.00001 0.04876 0.00012 185 4YZ 0.05566 0.26748 -0.06477 0.00002 -0.09008 186 22 H 1S 0.00001 0.00000 0.00000 0.23942 0.00000 187 2S 0.00002 -0.00001 0.00001 -0.02004 0.00021 188 23 H 1S -0.00001 0.00000 -0.00001 0.23591 -0.00003 189 2S 0.00000 0.00001 -0.00001 -0.03421 0.00032 181 182 183 184 185 V V V V V Eigenvalues -- 4.14963 4.25175 4.27632 4.37384 4.41238 1 1 C 1S -0.12008 0.06032 0.01040 -0.11723 0.19365 2 2S 0.72167 -0.30095 -0.16393 0.47982 -0.57213 3 2PX 0.04415 0.09118 0.04953 -0.00751 -0.09508 4 2PY 0.03291 0.05411 0.02788 -0.02049 0.05270 5 2PZ 0.01936 -0.09999 -0.02273 0.01146 0.01602 6 3S 0.31083 -0.45033 -0.16731 0.70238 -1.48881 7 3PX 0.04611 -0.13253 -0.16497 -0.06365 -0.06803 8 3PY 0.04200 -0.17265 0.04498 0.13927 -0.68648 9 3PZ -0.07884 0.15667 0.11582 -0.18366 0.05724 10 4XX -0.42335 0.29529 0.11876 -0.35247 0.58958 11 4YY -0.48232 0.24784 0.06047 -0.44233 0.58250 12 4ZZ -0.35631 0.19156 0.13275 -0.35492 0.51768 13 4XY 0.01582 0.08488 -0.00092 -0.02911 -0.04487 14 4XZ -0.06001 -0.04972 -0.05083 0.03176 0.13070 15 4YZ 0.01720 -0.09868 0.00026 -0.00212 0.02014 16 2 H 1S 0.07163 -0.03247 0.00770 0.04344 -0.06642 17 2S -0.09821 -0.00035 0.03290 -0.08657 -0.06197 18 3 C 1S -0.16527 -0.26674 -0.14242 -0.04975 0.24996 19 2S 1.16316 1.46539 0.80348 0.29778 -1.44826 20 2PX 0.00229 0.10449 0.04649 -0.00688 -0.06344 21 2PY 0.04818 0.05337 0.04290 -0.00554 0.17234 22 2PZ 0.02067 -0.06998 -0.01526 0.03085 0.01497 23 3S 0.21786 1.09095 0.62709 -0.08080 -0.73498 24 3PX 0.07458 -0.24356 -0.09307 0.06593 -0.15472 25 3PY -0.02372 -0.00083 -0.08805 0.03535 -0.25352 26 3PZ -0.08685 0.15961 0.01037 -0.08921 0.30367 27 4XX -0.66176 -1.04161 -0.53143 -0.14946 0.94171 28 4YY -0.61620 -0.90915 -0.49987 -0.17541 1.18139 29 4ZZ -0.65122 -1.04317 -0.57054 -0.19613 0.94773 30 4XY 0.00618 -0.02339 -0.01496 0.02132 0.03244 31 4XZ 0.00799 0.03381 0.02607 0.00583 -0.00383 32 4YZ -0.01045 0.03068 0.00126 -0.04174 0.01221 33 4 H 1S 0.07479 0.10954 0.05143 0.04728 -0.06827 34 2S -0.16806 -0.14073 -0.14114 -0.08952 0.26287 35 5 C 1S -0.16525 -0.26671 -0.14238 -0.04962 -0.25004 36 2S 1.16063 1.46523 0.80329 0.29700 1.44870 37 2PX 0.00208 0.10451 0.04650 -0.00690 0.06344 38 2PY -0.04831 -0.05336 -0.04292 0.00543 0.17235 39 2PZ 0.02089 -0.06999 -0.01528 0.03085 -0.01494 40 3S 0.22967 1.09064 0.62666 -0.08120 0.73525 41 3PX 0.06974 -0.24348 -0.09300 0.06587 0.15474 42 3PY 0.01999 0.00080 0.08827 -0.03514 -0.25342 43 3PZ -0.08306 0.15953 0.01033 -0.08908 -0.30372 44 4XX -0.66082 -1.04151 -0.53130 -0.14895 -0.94202 45 4YY -0.61495 -0.90900 -0.49970 -0.17482 -1.18167 46 4ZZ -0.65065 -1.04307 -0.57039 -0.19562 -0.94805 47 4XY -0.00637 0.02336 0.01496 -0.02132 0.03248 48 4XZ 0.00752 0.03383 0.02610 0.00584 0.00385 49 4YZ 0.01069 -0.03064 -0.00125 0.04173 0.01217 50 6 H 1S 0.07485 0.10953 0.05142 0.04724 0.06831 51 2S -0.16639 -0.14073 -0.14116 -0.08940 -0.26295 52 7 C 1S -0.12009 0.06035 0.01045 -0.11710 -0.19366 53 2S 0.72520 -0.30120 -0.16432 0.47939 0.57200 54 2PX 0.04395 0.09117 0.04953 -0.00757 0.09509 55 2PY -0.03293 -0.05407 -0.02787 0.02046 0.05272 56 2PZ 0.01950 -0.09999 -0.02272 0.01148 -0.01601 57 3S 0.29968 -0.45027 -0.16720 0.70153 1.48881 58 3PX 0.04617 -0.13248 -0.16507 -0.06365 0.06809 59 3PY -0.03526 0.17250 -0.04519 -0.13895 -0.68649 60 3PZ -0.07920 0.15671 0.11593 -0.18369 -0.05754 61 4XX -0.42466 0.29548 0.11898 -0.35208 -0.58949 62 4YY -0.48324 0.24792 0.06070 -0.44191 -0.58254 63 4ZZ -0.35749 0.19175 0.13299 -0.35453 -0.51761 64 4XY -0.01577 -0.08484 0.00094 0.02912 -0.04484 65 4XZ -0.05942 -0.04976 -0.05085 0.03181 -0.13069 66 4YZ -0.01728 0.09867 -0.00032 0.00207 0.02011 67 8 H 1S 0.07157 -0.03248 0.00767 0.04341 0.06643 68 2S -0.09999 -0.00030 0.03300 -0.08653 0.06197 69 9 C 1S -0.18535 0.21835 -0.07499 -0.13038 -0.14244 70 2S 1.13242 -1.11034 0.45497 0.58201 0.91478 71 2PX 0.00254 0.02283 0.01283 0.04633 0.02448 72 2PY -0.02812 0.00532 -0.01960 0.01629 0.05123 73 2PZ -0.01160 -0.04204 0.03406 0.03892 0.03581 74 3S 0.63268 -0.91435 0.19145 0.55930 0.14273 75 3PX -0.01254 -0.03392 -0.07249 -0.20290 -0.26871 76 3PY 0.08601 -0.06060 0.00381 0.03079 0.09484 77 3PZ 0.08114 0.04576 0.02524 -0.07875 0.23311 78 4XX -0.72937 0.83373 -0.29033 -0.47421 -0.56302 79 4YY -0.63456 0.71396 -0.26843 -0.41772 -0.65833 80 4ZZ -0.72352 0.81447 -0.32545 -0.44762 -0.55125 81 4XY 0.00516 0.00318 -0.00022 -0.00278 0.02283 82 4XZ -0.00866 0.01371 0.02196 -0.00071 -0.03392 83 4YZ -0.01918 0.01083 0.01278 -0.04211 -0.03428 84 10 H 1S 0.06534 -0.05771 0.02672 0.04831 0.08859 85 2S -0.21162 0.22648 -0.03159 -0.00476 -0.13212 86 11 H 1S 0.06656 -0.06228 0.02061 0.02519 0.01990 87 2S -0.20529 0.19558 -0.11107 -0.28503 -0.22918 88 12 C 1S -0.18547 0.21835 -0.07496 -0.13043 0.14236 89 2S 1.13481 -1.11037 0.45468 0.58229 -0.91440 90 2PX 0.00217 0.02283 0.01286 0.04635 -0.02447 91 2PY 0.02815 -0.00531 0.01960 -0.01632 0.05123 92 2PZ -0.01143 -0.04205 0.03405 0.03893 -0.03577 93 3S 0.62647 -0.91418 0.19166 0.55936 -0.14229 94 3PX -0.01221 -0.03381 -0.07262 -0.20307 0.26869 95 3PY -0.08807 0.06070 -0.00379 -0.03075 0.09488 96 3PZ 0.08487 0.04571 0.02499 -0.07873 -0.23312 97 4XX -0.73001 0.83372 -0.29022 -0.47439 0.56270 98 4YY -0.63578 0.71396 -0.26828 -0.41797 0.65809 99 4ZZ -0.72470 0.81449 -0.32529 -0.44778 0.55093 100 4XY -0.00517 -0.00318 0.00022 0.00276 0.02284 101 4XZ -0.00825 0.01370 0.02194 -0.00076 0.03393 102 4YZ 0.01915 -0.01086 -0.01275 0.04214 -0.03424 103 13 H 1S 0.06735 -0.06227 0.02055 0.02518 -0.01990 104 2S -0.20630 0.19565 -0.11107 -0.28514 0.22906 105 14 H 1S 0.06526 -0.05774 0.02673 0.04836 -0.08856 106 2S -0.21256 0.22647 -0.03149 -0.00478 0.13207 107 15 C 1S -0.18747 0.00967 0.16111 0.26389 0.07691 108 2S 1.20956 -0.14427 -0.73641 -1.30467 -0.68840 109 2PX 0.03595 0.01751 -0.01353 -0.00284 0.00562 110 2PY 0.07155 -0.04601 -0.01039 -0.02851 0.05591 111 2PZ -0.03718 -0.01623 0.05515 0.08789 0.01910 112 3S 0.48611 0.09507 -0.39028 -1.35977 -0.27177 113 3PX -0.03822 -0.23492 -0.10023 -0.03357 0.48443 114 3PY -0.06471 0.10174 -0.17124 0.10458 0.02196 115 3PZ -0.01317 0.24852 -0.09114 -0.30507 -0.05982 116 4XX -0.77597 0.05123 0.56983 1.01034 0.40506 117 4YY -0.68114 0.05347 0.51129 0.89321 0.43552 118 4ZZ -0.75121 0.08335 0.59931 0.99508 0.36184 119 4XY -0.02168 0.00477 0.02676 0.04814 0.02536 120 4XZ 0.01872 -0.03978 -0.01217 -0.06433 0.02342 121 4YZ -0.00349 -0.02455 0.00523 0.00516 0.01838 122 16 H 1S 0.08793 0.03290 -0.08400 -0.06484 -0.08279 123 2S -0.20693 0.12900 0.05800 0.20572 0.08509 124 17 C 1S -0.18698 0.00966 0.16109 0.26392 -0.07677 125 2S 1.20403 -0.14415 -0.73627 -1.30501 0.68766 126 2PX 0.03506 0.01753 -0.01350 -0.00285 -0.00563 127 2PY -0.07213 0.04602 0.01039 0.02846 0.05592 128 2PZ -0.03683 -0.01623 0.05513 0.08789 -0.01903 129 3S 0.50253 0.09468 -0.39049 -1.35966 0.27110 130 3PX -0.04475 -0.23472 -0.10009 -0.03338 -0.48449 131 3PY 0.06118 -0.10168 0.17123 -0.10459 0.02199 132 3PZ -0.00440 0.24832 -0.09128 -0.30500 0.05965 133 4XX -0.77325 0.05117 0.56974 1.01051 -0.40450 134 4YY -0.67781 0.05341 0.51120 0.89340 -0.43503 135 4ZZ -0.74869 0.08331 0.59922 0.99523 -0.36127 136 4XY 0.02176 -0.00476 -0.02676 -0.04814 0.02535 137 4XZ 0.01800 -0.03976 -0.01216 -0.06433 -0.02344 138 4YZ 0.00334 0.02453 -0.00526 -0.00522 0.01837 139 18 H 1S 0.08747 0.03289 -0.08400 -0.06489 0.08273 140 2S -0.20427 0.12894 0.05798 0.20579 -0.08503 141 19 O 1S -0.00328 0.02913 0.09010 -0.12522 -0.08668 142 2S -0.03250 0.12677 0.02123 -0.11062 -0.10923 143 2PX 0.03706 -0.00211 -0.03244 -0.03994 -0.03089 144 2PY 0.00541 0.00234 0.04560 -0.07626 -0.04498 145 2PZ -0.02601 -0.00955 0.02171 0.01999 0.01543 146 3S 0.10154 -0.59042 -1.08412 1.73218 1.12100 147 3PX 0.00517 -0.06099 -0.08080 0.11337 0.06451 148 3PY 0.07376 -0.21582 -0.04360 0.17564 0.14957 149 3PZ 0.00075 0.02858 0.09734 0.00885 -0.06111 150 4XX 0.04143 0.07565 0.25169 -0.48758 -0.29900 151 4YY -0.01403 0.00099 0.47382 -0.47326 -0.28998 152 4ZZ 0.02267 0.10093 0.25475 -0.46596 -0.30715 153 4XY 0.04904 0.02681 -0.14953 0.02449 -0.00883 154 4XZ -0.07411 0.04947 0.01355 0.12184 0.00963 155 4YZ -0.03586 -0.03340 0.12826 -0.00693 0.01204 156 20 O 1S -0.00107 0.02909 0.09006 -0.12524 0.08663 157 2S -0.02906 0.12669 0.02115 -0.11063 0.10919 158 2PX 0.03752 -0.00212 -0.03245 -0.03995 0.03087 159 2PY -0.00633 -0.00232 -0.04559 0.07627 -0.04494 160 2PZ -0.02604 -0.00955 0.02170 0.02002 -0.01543 161 3S 0.07184 -0.58981 -1.08349 1.73243 -1.12032 162 3PX 0.00009 -0.06089 -0.08068 0.11335 -0.06449 163 3PY -0.06905 0.21571 0.04347 -0.17567 0.14946 164 3PZ 0.00315 0.02857 0.09729 0.00878 0.06117 165 4XX 0.04790 0.07553 0.25155 -0.48767 0.29880 166 4YY -0.00704 0.00084 0.47374 -0.47335 0.28981 167 4ZZ 0.03019 0.10081 0.25455 -0.46603 0.30698 168 4XY -0.04816 -0.02684 0.14950 -0.02451 -0.00884 169 4XZ -0.07280 0.04944 0.01355 0.12184 -0.00957 170 4YZ 0.03541 0.03339 -0.12819 0.00693 0.01204 171 21 C 1S 0.05881 0.12876 -0.37520 0.21322 0.00005 172 2S -0.20959 -0.77437 2.06401 -1.32245 -0.00033 173 2PX -0.00010 0.04785 -0.09141 0.03573 0.00001 174 2PY 0.00023 0.00000 -0.00002 0.00000 0.01328 175 2PZ 0.00055 -0.06308 0.07429 -0.01728 0.00000 176 3S -0.53385 -0.26941 2.12104 -1.47749 -0.00035 177 3PX -0.10331 0.11508 0.14677 -0.07376 -0.00004 178 3PY 0.00093 -0.00001 0.00000 -0.00003 0.16125 179 3PZ 0.07206 0.00279 -0.10988 -0.01805 -0.00001 180 4XX 0.18397 0.50176 -1.42010 0.88548 0.00022 181 4YY 0.19086 0.55656 -1.59597 0.95660 0.00023 182 4ZZ 0.19525 0.52083 -1.43043 0.83473 0.00021 183 4XY -0.00014 0.00001 0.00000 0.00001 -0.00471 184 4XZ 0.03937 -0.02728 0.01475 -0.06240 -0.00002 185 4YZ 0.00025 0.00000 -0.00002 0.00002 0.01031 186 22 H 1S -0.00029 -0.04369 0.06502 -0.02096 -0.00001 187 2S 0.06445 0.15753 -0.41789 0.25073 0.00005 188 23 H 1S -0.00815 -0.06389 0.06691 -0.01004 0.00000 189 2S 0.12215 0.05064 -0.41671 0.35688 0.00010 186 187 188 189 V V V V Eigenvalues -- 4.46799 4.51208 4.67793 4.94101 1 1 C 1S -0.32029 -0.04980 0.06415 0.42965 2 2S 1.65257 0.32349 -0.66940 -0.64496 3 2PX -0.00603 -0.04607 -0.01318 -0.02003 4 2PY -0.10044 -0.06062 0.03627 0.25076 5 2PZ -0.00276 0.06014 -0.04363 0.01740 6 3S 2.27025 0.45648 -0.41306 -6.94867 7 3PX -0.17436 0.29939 -0.13963 0.06111 8 3PY 0.25782 0.30711 -0.01665 -2.76197 9 3PZ 0.08698 -0.17078 -0.18083 -0.09595 10 4XX -1.21365 -0.32830 0.39061 1.22794 11 4YY -1.21355 -0.22184 0.31332 1.25488 12 4ZZ -1.31754 -0.15745 0.43977 1.29062 13 4XY -0.03873 -0.05448 -0.05220 0.06110 14 4XZ 0.10916 0.05117 -0.01535 -0.07648 15 4YZ -0.01860 0.09155 0.01091 0.00318 16 2 H 1S 0.04910 0.05148 -0.02057 -0.06457 17 2S -0.30558 0.06235 0.05057 -0.23407 18 3 C 1S 0.02536 0.24464 -0.02885 -0.09528 19 2S -0.11731 -1.14789 0.20885 0.22936 20 2PX -0.08932 -0.09625 0.01226 0.03649 21 2PY -0.07213 0.10479 -0.01329 0.03239 22 2PZ 0.08055 0.07627 -0.01590 -0.05511 23 3S -0.55597 -2.57129 0.16298 4.59013 24 3PX 0.16724 0.56677 0.06739 -1.58266 25 3PY 0.04245 -0.55631 -0.07379 0.90627 26 3PZ -0.13035 -0.46462 -0.05605 1.51452 27 4XX 0.15366 0.87999 -0.11591 -0.34163 28 4YY 0.12040 1.09640 -0.20773 -0.37218 29 4ZZ 0.15820 0.90590 -0.13295 -0.33360 30 4XY 0.10694 0.05968 -0.05279 -0.11503 31 4XZ -0.07169 -0.03456 0.04297 0.05805 32 4YZ -0.07986 -0.05907 -0.00131 0.10302 33 4 H 1S 0.01689 -0.08155 0.00035 0.05165 34 2S -0.00531 0.01348 -0.09845 0.42030 35 5 C 1S 0.02529 -0.24468 0.02883 0.09524 36 2S -0.11703 1.14806 -0.20879 -0.22925 37 2PX -0.08932 0.09627 -0.01226 -0.03646 38 2PY 0.07214 0.10482 -0.01329 0.03237 39 2PZ 0.08056 -0.07626 0.01590 0.05507 40 3S -0.55524 2.57150 -0.16296 -4.58990 41 3PX 0.16710 -0.56676 -0.06740 1.58245 42 3PY -0.04262 -0.55656 -0.07386 0.90683 43 3PZ -0.13025 0.46456 0.05608 -1.51417 44 4XX 0.15348 -0.88016 0.11586 0.34154 45 4YY 0.12004 -1.09650 0.20767 0.37197 46 4ZZ 0.15801 -0.90608 0.13292 0.33351 47 4XY -0.10690 0.05972 -0.05281 -0.11502 48 4XZ -0.07174 0.03459 -0.04300 -0.05808 49 4YZ 0.07984 -0.05912 -0.00128 0.10302 50 6 H 1S 0.01692 0.08158 -0.00033 -0.05162 51 2S -0.00530 -0.01348 0.09848 -0.42028 52 7 C 1S -0.32033 0.04983 -0.06419 -0.42964 53 2S 1.65271 -0.32364 0.66958 0.64479 54 2PX -0.00603 0.04607 0.01322 0.01992 55 2PY 0.10044 -0.06061 0.03628 0.25075 56 2PZ -0.00274 -0.06015 0.04367 -0.01738 57 3S 2.27041 -0.45676 0.41316 6.94881 58 3PX -0.17443 -0.29944 0.13964 -0.06071 59 3PY -0.25774 0.30708 -0.01658 -2.76189 60 3PZ 0.08689 0.17076 0.18078 0.09520 61 4XX -1.21380 0.32844 -0.39076 -1.22778 62 4YY -1.21370 0.22189 -0.31351 -1.25483 63 4ZZ -1.31766 0.15761 -0.43992 -1.29052 64 4XY 0.03872 -0.05447 -0.05220 0.06106 65 4XZ 0.10914 -0.05123 0.01534 0.07652 66 4YZ 0.01866 0.09156 0.01097 0.00321 67 8 H 1S 0.04909 -0.05149 0.02057 0.06456 68 2S -0.30567 -0.06232 -0.05066 0.23401 69 9 C 1S 0.16077 0.24107 0.25655 0.06461 70 2S -0.80455 -1.12326 -0.98453 -0.15948 71 2PX 0.01010 0.01300 -0.01947 0.01598 72 2PY 0.02143 -0.04648 -0.02774 0.01030 73 2PZ -0.07591 -0.05320 -0.09866 0.09906 74 3S -1.31222 -1.89728 -2.71114 -3.22249 75 3PX -0.00721 -0.02386 0.27623 -0.70033 76 3PY -0.12274 0.22176 0.49184 0.33726 77 3PZ 0.26705 0.14143 0.39124 0.93796 78 4XX 0.61155 0.86221 0.84013 0.17436 79 4YY 0.54642 0.98872 1.01455 0.22256 80 4ZZ 0.71722 0.84176 0.90453 0.23668 81 4XY 0.03313 0.03010 -0.00558 0.04170 82 4XZ -0.04902 0.01676 -0.02517 -0.02905 83 4YZ -0.10229 -0.00748 -0.07893 -0.10397 84 10 H 1S -0.00954 -0.01356 0.01049 0.15026 85 2S 0.13077 0.26370 0.08056 0.18189 86 11 H 1S -0.00847 0.01951 0.07002 0.09350 87 2S 0.20163 0.19425 0.38233 -0.16353 88 12 C 1S 0.16078 -0.24110 -0.25655 -0.06462 89 2S -0.80464 1.12340 0.98449 0.15951 90 2PX 0.01010 -0.01299 0.01946 -0.01599 91 2PY -0.02140 -0.04649 -0.02777 0.01033 92 2PZ -0.07592 0.05318 0.09865 -0.09905 93 3S -1.31235 1.89757 2.71118 3.22253 94 3PX -0.00727 0.02381 -0.27625 0.70058 95 3PY 0.12256 0.22174 0.49194 0.33757 96 3PZ 0.26711 -0.14141 -0.39119 -0.93782 97 4XX 0.61165 -0.86233 -0.84012 -0.17439 98 4YY 0.54644 -0.98880 -1.01451 -0.22254 99 4ZZ 0.71730 -0.84188 -0.90454 -0.23675 100 4XY -0.03313 0.03011 -0.00557 0.04173 101 4XZ -0.04906 -0.01675 0.02518 0.02905 102 4YZ 0.10223 -0.00753 -0.07894 -0.10397 103 13 H 1S -0.00848 -0.01951 -0.07003 -0.09352 104 2S 0.20163 -0.19433 -0.38236 0.16367 105 14 H 1S -0.00953 0.01358 -0.01047 -0.15025 106 2S 0.13074 -0.26372 -0.08053 -0.18193 107 15 C 1S 0.02421 -0.13502 0.30050 -0.23014 108 2S 0.11132 0.72395 -1.06912 -0.01852 109 2PX -0.01054 -0.02453 0.01719 -0.06015 110 2PY 0.00806 -0.06342 0.11930 -0.04046 111 2PZ -0.01395 -0.00665 0.13871 -0.05134 112 3S -0.50410 0.96166 -4.07467 6.14154 113 3PX -0.07898 0.32709 0.34569 -0.42266 114 3PY 0.12359 -0.03472 -1.29838 1.48366 115 3PZ -0.12299 -0.20532 -1.13433 2.20137 116 4XX -0.02105 -0.52308 1.03473 -0.46109 117 4YY 0.02641 -0.64178 1.20075 -0.65597 118 4ZZ 0.03558 -0.52754 1.02476 -0.54518 119 4XY 0.01804 -0.01247 -0.01083 -0.00295 120 4XZ -0.01689 0.03463 0.00667 -0.01271 121 4YZ 0.01211 0.03555 -0.04749 0.02872 122 16 H 1S 0.02248 -0.04902 -0.09288 -0.00965 123 2S 0.07345 -0.26720 -0.15860 0.33363 124 17 C 1S 0.02426 0.13505 -0.30048 0.23021 125 2S 0.11103 -0.72405 1.06904 0.01839 126 2PX -0.01060 0.02453 -0.01721 0.06012 127 2PY -0.00808 -0.06341 0.11931 -0.04053 128 2PZ -0.01394 0.00664 -0.13866 0.05136 129 3S -0.50407 -0.96189 4.07474 -6.14216 130 3PX -0.07926 -0.32714 -0.34566 0.42262 131 3PY -0.12360 -0.03480 -1.29853 1.48434 132 3PZ -0.12281 0.20532 1.13393 -2.20127 133 4XX -0.02085 0.52319 -1.03465 0.46127 134 4YY 0.02663 0.64187 -1.20068 0.65614 135 4ZZ 0.03575 0.52766 -1.02473 0.54542 136 4XY -0.01803 -0.01247 -0.01081 -0.00295 137 4XZ -0.01692 -0.03465 -0.00667 0.01268 138 4YZ -0.01210 0.03559 -0.04754 0.02873 139 18 H 1S 0.02248 0.04903 0.09285 0.00958 140 2S 0.07355 0.26725 0.15851 -0.33362 141 19 O 1S 0.01817 0.05502 -0.07009 0.16291 142 2S -0.00133 0.03887 -0.12678 0.45013 143 2PX -0.00496 0.04057 -0.02184 0.05017 144 2PY 0.00995 0.04065 -0.02920 0.06787 145 2PZ 0.02035 -0.00160 0.02047 -0.01050 146 3S -0.21276 -0.55821 1.50777 -3.31206 147 3PX 0.05947 0.01192 0.23713 -0.78342 148 3PY -0.04247 -0.07836 0.20279 -0.52483 149 3PZ -0.10884 -0.08210 -0.06598 0.27095 150 4XX 0.07192 0.22372 -0.24283 0.43793 151 4YY 0.10217 0.18691 -0.24358 0.51734 152 4ZZ 0.04817 0.21475 -0.26328 0.56217 153 4XY -0.02729 0.03455 -0.03805 -0.04446 154 4XZ -0.02601 -0.04680 0.10480 0.01289 155 4YZ 0.02405 -0.04311 0.02545 -0.00462 156 20 O 1S 0.01823 -0.05501 0.07010 -0.16291 157 2S -0.00119 -0.03886 0.12679 -0.45015 158 2PX -0.00494 -0.04057 0.02184 -0.05016 159 2PY -0.00998 0.04065 -0.02919 0.06789 160 2PZ 0.02035 0.00161 -0.02047 0.01052 161 3S -0.21362 0.55819 -1.50786 3.31219 162 3PX 0.05927 -0.01192 -0.23717 0.78345 163 3PY 0.04264 -0.07836 0.20275 -0.52485 164 3PZ -0.10874 0.08208 0.06605 -0.27110 165 4XX 0.07206 -0.22373 0.24284 -0.43796 166 4YY 0.10238 -0.18688 0.24361 -0.51730 167 4ZZ 0.04837 -0.21477 0.26330 -0.56220 168 4XY 0.02734 0.03456 -0.03801 -0.04446 169 4XZ -0.02596 0.04681 -0.10480 -0.01291 170 4YZ -0.02406 -0.04311 0.02544 -0.00462 171 21 C 1S -0.11576 -0.00001 -0.00001 -0.00001 172 2S 0.50923 0.00003 0.00004 0.00000 173 2PX -0.05966 0.00000 -0.00001 -0.00001 174 2PY 0.00000 -0.02106 0.03221 -0.09738 175 2PZ -0.00510 0.00000 0.00001 -0.00001 176 3S 0.91185 0.00006 0.00012 0.00007 177 3PX 0.26960 0.00003 0.00003 0.00006 178 3PY 0.00001 -0.15346 0.06079 -0.06348 179 3PZ 0.11903 -0.00002 -0.00003 0.00004 180 4XX -0.42937 -0.00003 -0.00004 -0.00002 181 4YY -0.43507 -0.00003 -0.00005 -0.00003 182 4ZZ -0.41263 -0.00003 -0.00004 -0.00004 183 4XY 0.00000 -0.01752 -0.01882 -0.01152 184 4XZ -0.00653 0.00000 -0.00001 0.00000 185 4YZ 0.00000 -0.01210 0.00998 -0.02648 186 22 H 1S 0.03901 0.00000 0.00000 0.00001 187 2S -0.02744 0.00000 -0.00001 0.00002 188 23 H 1S -0.02995 0.00000 0.00000 -0.00001 189 2S -0.28805 -0.00001 0.00000 -0.00005 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05539 2 2S -0.05965 0.32425 3 2PX -0.00414 0.01119 0.36206 4 2PY 0.00258 0.00173 0.02589 0.40928 5 2PZ 0.00103 0.00608 -0.04103 0.00840 0.38251 6 3S -0.20721 0.29459 -0.02448 -0.00120 -0.04149 7 3PX 0.00600 -0.00897 0.19053 -0.02032 0.02342 8 3PY -0.01101 -0.00750 -0.00669 0.13639 -0.02345 9 3PZ 0.00493 -0.00449 0.04801 -0.00970 0.17152 10 4XX -0.01152 -0.01222 0.00694 0.00508 -0.00255 11 4YY -0.01805 0.00132 -0.00440 -0.02160 -0.00221 12 4ZZ -0.01386 -0.00723 -0.00709 0.01088 0.00463 13 4XY -0.00183 0.00408 0.00835 -0.00241 -0.00372 14 4XZ 0.00227 -0.00531 -0.00635 -0.00468 0.00028 15 4YZ -0.00065 0.00147 -0.00302 -0.00258 0.01126 16 2 H 1S -0.05956 0.11267 -0.03665 -0.26327 -0.02320 17 2S -0.01338 0.02604 -0.01207 -0.24233 -0.02262 18 3 C 1S 0.01789 -0.03359 -0.05542 -0.03742 0.04325 19 2S -0.03601 0.06180 0.11787 0.07138 -0.08949 20 2PX 0.05882 -0.11737 -0.02464 -0.12980 0.19778 21 2PY 0.03613 -0.07625 -0.13318 -0.04772 0.08075 22 2PZ -0.04279 0.08492 0.23254 0.06096 -0.01798 23 3S 0.01598 0.01392 0.05876 0.10045 -0.03817 24 3PX 0.00363 -0.02779 0.04692 -0.05571 0.06964 25 3PY 0.00584 -0.00943 -0.08915 0.00792 0.03351 26 3PZ 0.00601 0.00698 0.09713 0.00444 0.03896 27 4XX -0.00147 0.00240 -0.00836 0.00444 -0.00520 28 4YY 0.00126 -0.00338 -0.00195 -0.01301 0.00262 29 4ZZ -0.00028 0.00037 0.00252 0.00171 0.01004 30 4XY -0.00377 0.00670 0.00288 -0.00163 -0.00839 31 4XZ 0.00330 -0.00645 -0.00352 -0.00715 -0.00088 32 4YZ 0.00339 -0.00643 -0.00896 0.00154 0.00098 33 4 H 1S 0.01340 -0.02783 -0.03374 -0.00459 0.03266 34 2S 0.01944 -0.03267 -0.07707 0.00136 0.06898 35 5 C 1S -0.00333 0.00838 0.00762 0.01159 -0.00498 36 2S 0.00831 -0.01908 -0.02486 -0.02630 0.01550 37 2PX -0.00084 0.00080 -0.00936 0.00389 -0.02239 38 2PY -0.01243 0.03366 0.03064 0.03314 -0.01619 39 2PZ 0.00569 -0.01606 -0.03078 -0.00547 -0.00819 40 3S -0.00554 -0.01879 0.04545 -0.09050 -0.01684 41 3PX 0.00905 -0.00956 -0.04822 0.00123 -0.00248 42 3PY -0.00497 0.01899 -0.01785 0.04908 -0.00503 43 3PZ -0.00598 -0.00240 0.00088 0.00089 -0.03635 44 4XX 0.00019 -0.00032 0.00279 -0.00093 0.00159 45 4YY -0.00099 0.00213 0.00152 0.00420 -0.00322 46 4ZZ -0.00020 0.00061 -0.00071 0.00059 -0.00128 47 4XY -0.00170 0.00347 -0.00043 0.00554 -0.00751 48 4XZ 0.00011 -0.00017 -0.00170 0.00007 0.00064 49 4YZ 0.00115 -0.00232 -0.01012 -0.00206 -0.00061 50 6 H 1S -0.00749 0.01694 0.03028 0.01413 -0.01522 51 2S -0.01275 0.02440 0.06255 0.02917 -0.03377 52 7 C 1S -0.00481 0.00619 -0.00412 0.01019 -0.00183 53 2S 0.00619 -0.01971 0.01193 -0.02854 -0.00005 54 2PX -0.00412 0.01192 -0.08927 0.02634 -0.03458 55 2PY -0.01019 0.02854 -0.02636 0.03709 -0.01342 56 2PZ -0.00183 -0.00005 -0.03458 0.01344 -0.06749 57 3S 0.03169 -0.03069 -0.01487 -0.03080 0.03335 58 3PX -0.00253 0.00857 -0.08129 0.03009 -0.02876 59 3PY -0.01277 0.00824 0.01349 -0.01082 -0.02536 60 3PZ -0.00219 0.00371 -0.03864 0.01512 -0.05354 61 4XX -0.00044 -0.00056 -0.00090 -0.00064 -0.00093 62 4YY -0.00089 0.00058 -0.00193 0.00135 -0.00064 63 4ZZ -0.00051 0.00010 0.00232 -0.00092 0.00072 64 4XY -0.00036 0.00059 0.00101 0.00081 -0.00128 65 4XZ -0.00002 -0.00045 0.00018 -0.00035 0.00001 66 4YZ 0.00007 -0.00001 -0.00133 0.00035 0.00161 67 8 H 1S -0.00244 0.00764 -0.00920 0.00913 -0.00212 68 2S -0.00297 0.01301 -0.03258 0.02555 -0.00278 69 9 C 1S -0.00198 0.00435 -0.00326 0.00938 0.00510 70 2S 0.00480 -0.00996 0.00551 -0.01911 -0.01658 71 2PX 0.00163 -0.00339 0.00493 -0.00364 -0.00252 72 2PY -0.01003 0.02611 -0.00168 0.03471 0.03193 73 2PZ -0.00325 0.01488 -0.00472 0.00813 0.02355 74 3S -0.00402 -0.01079 0.03956 -0.07529 -0.00554 75 3PX -0.00051 -0.00436 0.00675 -0.00924 -0.00085 76 3PY -0.00566 0.01790 -0.00685 0.05112 0.02278 77 3PZ 0.00104 0.00713 -0.00970 0.00260 0.01825 78 4XX -0.00041 0.00107 -0.00144 0.00084 0.00019 79 4YY -0.00060 0.00089 -0.00251 0.00209 0.00063 80 4ZZ 0.00017 -0.00083 0.00253 -0.00141 0.00067 81 4XY 0.00031 -0.00058 -0.00061 -0.00065 -0.00299 82 4XZ 0.00007 0.00007 0.00204 -0.00060 0.00218 83 4YZ -0.00156 0.00352 -0.00251 0.00466 0.00737 84 10 H 1S -0.00213 0.00932 0.00776 0.00468 0.02425 85 2S -0.00304 0.01041 0.00964 0.01421 0.03379 86 11 H 1S -0.00394 0.01087 -0.01109 0.01066 0.01212 87 2S -0.00621 0.01381 -0.02755 0.01997 0.01413 88 12 C 1S 0.01270 -0.02331 0.02057 -0.02974 -0.05309 89 2S -0.02437 0.04045 -0.04261 0.05670 0.10944 90 2PX -0.01613 0.03264 0.00570 0.02545 0.08327 91 2PY 0.02400 -0.05051 0.02077 -0.03239 -0.11274 92 2PZ 0.06443 -0.13791 0.09461 -0.12312 -0.23630 93 3S 0.00632 0.02102 -0.08135 0.10644 0.09424 94 3PX -0.00244 0.01303 0.00480 0.01309 0.03816 95 3PY 0.00727 -0.01367 0.01629 0.00149 -0.04921 96 3PZ 0.01104 -0.04265 0.03230 -0.05381 -0.12043 97 4XX 0.00189 -0.00439 0.00724 -0.00163 -0.00423 98 4YY 0.00079 -0.00223 0.00074 -0.00999 -0.00265 99 4ZZ -0.00456 0.00841 -0.00561 0.00742 0.00143 100 4XY 0.00116 -0.00206 -0.00152 0.00092 -0.00349 101 4XZ 0.00269 -0.00552 -0.00796 -0.00347 -0.00551 102 4YZ -0.00413 0.00773 -0.00366 -0.00356 0.00853 103 13 H 1S 0.00758 -0.01880 0.02399 -0.00143 -0.02447 104 2S 0.01398 -0.02555 0.08456 -0.01304 -0.02918 105 14 H 1S 0.00859 -0.02462 0.00260 -0.00586 -0.02552 106 2S 0.01365 -0.03240 -0.00834 -0.01045 -0.05773 107 15 C 1S -0.00168 0.00243 0.01275 -0.00662 0.00400 108 2S 0.00083 -0.01495 -0.01892 0.00682 -0.00943 109 2PX -0.00706 0.00806 -0.12561 0.04886 -0.07150 110 2PY -0.00033 0.00424 0.03045 -0.02306 0.01138 111 2PZ -0.01112 0.01636 -0.11413 0.03324 -0.07663 112 3S 0.02052 -0.00436 -0.04804 0.04967 0.01514 113 3PX 0.00123 -0.00420 -0.07642 0.03220 -0.06546 114 3PY 0.00016 0.00775 0.02089 0.01224 0.02429 115 3PZ 0.00288 0.00736 -0.08786 0.02546 -0.03312 116 4XX -0.00199 0.00364 -0.00610 0.00340 -0.00692 117 4YY 0.00016 -0.00124 0.00218 -0.00332 0.00163 118 4ZZ 0.00013 -0.00083 0.00209 0.00015 0.00376 119 4XY 0.00079 -0.00193 0.00276 0.00136 0.00194 120 4XZ -0.00132 0.00312 -0.00608 0.00243 -0.00172 121 4YZ 0.00088 -0.00224 0.00213 0.00110 0.00162 122 16 H 1S 0.00728 -0.01742 0.02453 -0.00109 0.02455 123 2S 0.00915 -0.01577 0.03752 -0.00824 0.04106 124 17 C 1S -0.00113 0.00404 -0.00375 0.00570 -0.00104 125 2S 0.00347 -0.00400 0.00920 -0.00888 0.00594 126 2PX 0.00583 -0.01829 0.00320 -0.00682 0.00280 127 2PY -0.00248 0.00549 -0.02460 0.02132 -0.01509 128 2PZ 0.00552 -0.01442 0.00962 -0.00600 0.00633 129 3S -0.00325 -0.02190 0.01344 -0.05141 -0.02249 130 3PX 0.00526 -0.01327 0.01006 -0.00737 0.01952 131 3PY 0.00267 0.00274 -0.00818 0.02108 0.01120 132 3PZ 0.00044 -0.01538 0.01966 -0.00913 -0.00857 133 4XX -0.00018 0.00024 0.00130 0.00011 0.00110 134 4YY -0.00002 0.00001 -0.00060 -0.00001 -0.00071 135 4ZZ -0.00013 0.00072 0.00045 0.00069 0.00016 136 4XY 0.00038 -0.00027 0.00671 -0.00301 0.00380 137 4XZ 0.00021 -0.00070 0.00223 -0.00121 0.00187 138 4YZ 0.00053 -0.00045 0.00640 -0.00218 0.00407 139 18 H 1S -0.00247 0.00548 -0.02137 0.01024 -0.01525 140 2S -0.00501 0.00767 -0.02727 0.01593 -0.02904 141 19 O 1S -0.00055 0.00280 -0.00612 0.00008 0.00044 142 2S 0.00207 -0.00568 0.01312 0.00036 0.00092 143 2PX 0.01104 -0.01863 0.06906 -0.01407 0.02061 144 2PY -0.00203 0.00108 -0.00562 -0.00398 -0.00347 145 2PZ 0.01041 -0.01273 0.05967 -0.01696 0.03118 146 3S -0.00275 -0.01072 0.03225 -0.00197 -0.01438 147 3PX 0.00668 -0.01585 0.06104 -0.01356 0.01719 148 3PY -0.00173 -0.00046 -0.00180 -0.00424 -0.00675 149 3PZ 0.00934 -0.01029 0.05513 -0.01748 0.03468 150 4XX 0.00007 0.00018 -0.00386 0.00150 -0.00156 151 4YY 0.00010 0.00080 -0.00008 -0.00087 0.00029 152 4ZZ 0.00052 0.00042 0.00246 -0.00022 0.00223 153 4XY 0.00037 -0.00099 0.00284 -0.00046 0.00027 154 4XZ -0.00015 0.00072 -0.00115 0.00007 -0.00012 155 4YZ 0.00041 -0.00062 0.00100 0.00028 0.00083 156 20 O 1S -0.00022 -0.00117 0.00063 -0.00076 -0.00029 157 2S -0.00032 0.00238 -0.00360 0.00223 -0.00319 158 2PX -0.00166 0.00953 -0.00378 0.00692 -0.00465 159 2PY 0.00019 -0.00238 0.00706 -0.00854 0.00364 160 2PZ 0.00011 0.00383 0.01334 -0.00750 0.00381 161 3S 0.00409 0.00522 0.00168 0.00495 0.01809 162 3PX -0.00060 0.00937 -0.00587 0.00678 0.00020 163 3PY -0.00061 -0.00226 0.00264 -0.00786 -0.00128 164 3PZ -0.00071 0.00479 0.00758 -0.00490 -0.00081 165 4XX 0.00017 -0.00071 0.00063 -0.00027 -0.00036 166 4YY -0.00034 -0.00003 -0.00058 0.00013 -0.00124 167 4ZZ -0.00056 0.00036 -0.00177 0.00065 -0.00164 168 4XY -0.00010 -0.00027 -0.00016 0.00011 -0.00030 169 4XZ 0.00003 -0.00018 0.00038 -0.00018 0.00024 170 4YZ 0.00000 0.00000 0.00059 -0.00025 0.00059 171 21 C 1S 0.00044 0.00015 0.00281 -0.00018 0.00039 172 2S -0.00040 0.00052 -0.00700 0.00144 -0.00097 173 2PX -0.00120 0.00192 -0.00923 0.00113 -0.00165 174 2PY 0.00094 -0.00121 0.00767 0.00095 -0.00121 175 2PZ -0.00069 0.00153 0.00177 -0.00092 0.00296 176 3S -0.00178 -0.00022 -0.01482 0.00208 0.00004 177 3PX -0.00090 -0.00028 -0.00021 -0.00041 -0.00146 178 3PY 0.00040 0.00005 0.00393 -0.00156 -0.00002 179 3PZ 0.00033 -0.00023 0.01289 -0.00204 0.00851 180 4XX 0.00056 -0.00046 0.00293 -0.00038 0.00066 181 4YY 0.00015 -0.00017 -0.00012 -0.00015 0.00029 182 4ZZ -0.00036 0.00055 -0.00253 0.00063 -0.00081 183 4XY -0.00035 0.00077 -0.00248 0.00082 -0.00109 184 4XZ 0.00020 -0.00023 0.00059 0.00012 0.00026 185 4YZ -0.00056 0.00084 -0.00279 0.00052 -0.00104 186 22 H 1S 0.00172 -0.00204 0.01213 -0.00176 0.00298 187 2S 0.00251 -0.00265 0.02560 -0.00434 0.00674 188 23 H 1S -0.00159 0.00190 -0.00964 0.00219 -0.00323 189 2S -0.00267 0.00304 -0.02048 0.00446 -0.01337 6 7 8 9 10 6 3S 0.32235 7 3PX -0.02528 0.11517 8 3PY 0.01322 -0.01392 0.06048 9 3PZ -0.03996 0.04605 -0.02067 0.09829 10 4XX -0.01118 0.00371 0.00153 0.00001 0.00146 11 4YY 0.00388 -0.00089 -0.00652 -0.00047 -0.00049 12 4ZZ -0.00653 -0.00420 0.00359 0.00022 0.00006 13 4XY 0.00357 0.00370 -0.00089 0.00008 -0.00007 14 4XZ -0.00311 -0.00253 -0.00111 -0.00140 0.00006 15 4YZ 0.00006 0.00008 -0.00195 0.00389 -0.00016 16 2 H 1S 0.11494 -0.00542 -0.08609 -0.00854 -0.00833 17 2S 0.03232 0.01121 -0.07470 -0.00043 -0.00503 18 3 C 1S -0.00871 -0.01080 -0.00884 0.00483 -0.00184 19 2S 0.03308 0.03268 0.02405 -0.01278 0.00294 20 2PX -0.13952 0.02688 -0.05559 0.08430 0.01066 21 2PY -0.04844 -0.05914 -0.00102 0.03397 -0.00491 22 2PZ 0.08658 0.12143 0.01977 0.02276 0.00687 23 3S -0.03627 -0.00299 0.01576 0.00460 0.00413 24 3PX -0.02660 0.04586 -0.01745 0.03441 0.00713 25 3PY 0.00315 -0.04756 0.00517 0.00168 -0.00295 26 3PZ -0.00407 0.05841 -0.00578 0.03248 0.00630 27 4XX 0.00430 -0.00529 0.00215 -0.00486 -0.00012 28 4YY -0.00309 0.00044 -0.00425 0.00205 -0.00020 29 4ZZ -0.00185 0.00257 -0.00097 0.00456 0.00006 30 4XY 0.00933 0.00071 0.00012 -0.00458 -0.00001 31 4XZ -0.00398 -0.00067 -0.00157 -0.00057 -0.00006 32 4YZ -0.00719 -0.00549 0.00055 -0.00154 0.00041 33 4 H 1S -0.06020 -0.02006 -0.01150 0.00830 0.00344 34 2S -0.06071 -0.03811 -0.01121 0.01499 0.00210 35 5 C 1S 0.00440 0.00373 0.00192 -0.00475 0.00063 36 2S -0.01914 -0.01256 -0.00996 0.01010 -0.00135 37 2PX 0.04506 -0.00139 0.00954 -0.04068 0.00748 38 2PY 0.02589 0.01774 -0.00695 -0.02574 0.00232 39 2PZ -0.03702 -0.03541 -0.00496 -0.01554 0.00589 40 3S -0.00758 0.03267 -0.02593 0.00838 -0.00122 41 3PX 0.00838 -0.02689 0.00431 -0.02530 0.00516 42 3PY 0.01416 -0.01664 0.00658 -0.01537 0.00041 43 3PZ 0.00349 -0.00985 0.00405 -0.02806 0.00467 44 4XX -0.00021 0.00286 0.00012 0.00128 0.00010 45 4YY 0.00143 -0.00085 0.00096 -0.00088 0.00005 46 4ZZ 0.00107 -0.00047 0.00006 -0.00188 -0.00004 47 4XY 0.00611 -0.00122 0.00302 -0.00405 -0.00036 48 4XZ -0.00054 -0.00128 -0.00019 0.00057 0.00002 49 4YZ -0.00394 -0.00658 -0.00120 -0.00139 -0.00032 50 6 H 1S 0.04206 0.02593 0.00638 -0.01485 0.00043 51 2S 0.05065 0.04154 0.01569 -0.01948 0.00111 52 7 C 1S 0.03169 -0.00253 0.01277 -0.00219 -0.00044 53 2S -0.03069 0.00858 -0.00824 0.00372 -0.00056 54 2PX -0.01487 -0.08128 -0.01348 -0.03864 -0.00090 55 2PY 0.03078 -0.03010 -0.01083 -0.01512 0.00064 56 2PZ 0.03335 -0.02877 0.02538 -0.05354 -0.00093 57 3S -0.04906 -0.00001 -0.00805 0.01740 0.00049 58 3PX -0.00001 -0.06555 -0.00020 -0.03451 -0.00030 59 3PY 0.00804 0.00021 -0.01349 -0.01201 0.00007 60 3PZ 0.01740 -0.03451 0.01202 -0.03856 -0.00168 61 4XX 0.00049 -0.00031 -0.00007 -0.00167 0.00051 62 4YY 0.00047 -0.00172 -0.00022 -0.00031 -0.00013 63 4ZZ 0.00022 0.00194 -0.00011 0.00144 -0.00019 64 4XY 0.00191 0.00135 0.00109 -0.00092 0.00003 65 4XZ 0.00013 0.00025 0.00033 0.00010 0.00024 66 4YZ -0.00076 -0.00091 0.00000 0.00167 -0.00005 67 8 H 1S 0.00443 -0.01168 -0.00984 -0.00210 -0.00013 68 2S 0.01396 -0.02717 -0.00273 -0.00652 -0.00078 69 9 C 1S 0.00337 -0.00365 0.00383 0.00211 0.00042 70 2S -0.00842 0.00561 -0.00857 -0.00726 -0.00119 71 2PX -0.01169 -0.00379 -0.00039 0.00252 -0.00052 72 2PY 0.02825 -0.00877 0.01333 0.02464 0.00125 73 2PZ -0.01058 -0.01567 -0.02778 0.02558 0.00268 74 3S -0.00891 0.03471 -0.02661 0.00689 -0.00152 75 3PX -0.00658 0.00149 -0.00234 0.00251 -0.00028 76 3PY 0.01694 -0.00937 0.01654 0.01243 0.00057 77 3PZ -0.00621 -0.01051 -0.01216 0.01600 0.00116 78 4XX 0.00055 -0.00168 -0.00079 0.00031 0.00014 79 4YY 0.00073 -0.00137 0.00057 -0.00115 -0.00022 80 4ZZ -0.00051 0.00199 0.00059 0.00129 0.00010 81 4XY -0.00081 -0.00080 -0.00008 -0.00092 0.00018 82 4XZ -0.00024 0.00168 -0.00058 0.00220 0.00011 83 4YZ 0.00200 -0.00125 0.00038 0.00351 -0.00005 84 10 H 1S -0.00544 -0.00103 -0.01115 0.02461 0.00129 85 2S -0.00174 0.00368 -0.00402 0.02816 0.00242 86 11 H 1S 0.01025 -0.00772 -0.00434 0.00488 0.00000 87 2S 0.01264 -0.02177 -0.00182 -0.00008 -0.00081 88 12 C 1S -0.00212 0.00405 -0.00786 -0.00609 0.00174 89 2S 0.01759 -0.01143 0.01852 0.02446 -0.00418 90 2PX 0.03077 0.00294 0.00055 0.01893 -0.00692 91 2PY -0.03597 0.00795 -0.01324 -0.05284 0.00067 92 2PZ -0.10752 0.03875 -0.01918 -0.09337 0.00572 93 3S 0.00011 -0.04023 0.03011 0.00611 -0.00363 94 3PX 0.00751 0.00120 -0.00236 0.01005 -0.00294 95 3PY -0.01283 0.00359 -0.00559 -0.02106 0.00104 96 3PZ -0.01530 0.01149 0.00073 -0.05337 0.00125 97 4XX -0.00481 0.00386 -0.00011 -0.00011 0.00053 98 4YY -0.00181 0.00121 -0.00365 -0.00043 -0.00014 99 4ZZ 0.00898 -0.00417 0.00269 -0.00123 -0.00034 100 4XY -0.00210 -0.00124 0.00071 -0.00110 0.00024 101 4XZ -0.00331 -0.00466 -0.00013 -0.00483 -0.00015 102 4YZ 0.00582 -0.00151 -0.00303 0.00416 -0.00029 103 13 H 1S -0.02907 0.01527 0.00621 0.00038 0.00422 104 2S -0.04720 0.04544 -0.00649 0.01672 0.00580 105 14 H 1S -0.01650 -0.00196 0.00841 -0.02831 -0.00201 106 2S -0.01574 -0.01118 0.00849 -0.04128 -0.00030 107 15 C 1S 0.00544 -0.00210 -0.00315 0.00584 -0.00165 108 2S 0.00341 0.00221 0.01061 -0.01087 0.00321 109 2PX 0.01401 -0.07729 0.02363 -0.06267 0.00444 110 2PY -0.00095 0.01460 -0.00349 0.02342 -0.00366 111 2PZ 0.05454 -0.07324 0.03333 -0.06248 0.00393 112 3S 0.01153 -0.01181 0.02098 -0.01134 0.00511 113 3PX 0.01238 -0.04915 0.01954 -0.05075 0.00340 114 3PY -0.00106 0.01242 -0.00155 0.02026 -0.00222 115 3PZ 0.02294 -0.05312 0.01767 -0.03830 0.00301 116 4XX 0.00940 -0.00464 0.00409 -0.00569 -0.00047 117 4YY -0.00337 0.00137 -0.00164 0.00184 0.00005 118 4ZZ -0.00482 0.00127 -0.00264 0.00272 0.00021 119 4XY -0.00024 0.00192 0.00214 0.00164 0.00036 120 4XZ 0.00298 -0.00420 0.00126 -0.00207 -0.00030 121 4YZ -0.00132 0.00315 0.00079 0.00012 0.00039 122 16 H 1S -0.02910 0.02618 -0.01045 0.01183 0.00239 123 2S -0.03874 0.03203 -0.01813 0.02566 0.00120 124 17 C 1S -0.00088 -0.00315 -0.00141 -0.00236 -0.00058 125 2S -0.00772 0.00640 -0.00190 0.00663 0.00122 126 2PX 0.01257 0.01924 0.02061 0.00324 0.00602 127 2PY 0.01103 -0.01974 0.00195 -0.02321 0.00217 128 2PZ -0.00500 0.02550 0.01212 0.00099 0.00531 129 3S -0.00629 0.00909 -0.00011 -0.00615 0.00382 130 3PX -0.00492 0.01786 0.00700 0.01243 0.00394 131 3PY 0.00986 -0.00107 0.00686 -0.00237 0.00249 132 3PZ 0.00356 0.02409 0.01100 -0.00467 0.00477 133 4XX -0.00040 0.00126 0.00026 0.00065 -0.00005 134 4YY 0.00164 -0.00015 0.00055 -0.00038 0.00006 135 4ZZ -0.00060 -0.00025 -0.00095 -0.00006 -0.00008 136 4XY -0.00096 0.00421 -0.00153 0.00362 -0.00019 137 4XZ 0.00092 0.00229 0.00100 0.00180 0.00005 138 4YZ -0.00269 0.00450 -0.00187 0.00368 -0.00025 139 18 H 1S 0.00986 -0.02181 -0.00011 -0.01453 0.00008 140 2S 0.01298 -0.02657 0.00086 -0.02285 -0.00087 141 19 O 1S -0.00091 0.00233 -0.00431 -0.00490 -0.00004 142 2S 0.01006 -0.00347 0.01246 0.00929 0.00040 143 2PX -0.07160 0.03905 -0.03744 0.03984 0.00525 144 2PY 0.04818 0.01896 0.00253 -0.02103 -0.00034 145 2PZ -0.11596 0.02496 -0.06405 0.05187 0.00324 146 3S -0.00544 -0.00401 0.01125 0.01490 -0.00117 147 3PX -0.05878 0.03397 -0.03124 0.03322 0.00289 148 3PY 0.03060 0.01265 0.00131 -0.01502 -0.00019 149 3PZ -0.08589 0.02660 -0.04826 0.04592 0.00237 150 4XX -0.00036 -0.00227 0.00021 -0.00146 0.00034 151 4YY 0.00331 0.00139 -0.00021 -0.00122 -0.00003 152 4ZZ 0.00055 0.00196 0.00014 0.00122 -0.00006 153 4XY -0.00225 0.00192 -0.00107 0.00122 0.00021 154 4XZ -0.00047 -0.00089 -0.00050 -0.00012 -0.00002 155 4YZ -0.00430 0.00018 -0.00195 0.00138 0.00025 156 20 O 1S 0.00648 0.00010 0.00382 -0.00054 0.00016 157 2S -0.01565 -0.00149 -0.00857 -0.00261 -0.00015 158 2PX -0.01460 -0.00895 -0.01865 -0.00558 -0.00284 159 2PY 0.02232 0.01269 0.00426 0.00730 -0.00031 160 2PZ -0.00648 0.00431 -0.01307 0.01186 -0.00284 161 3S -0.02716 0.00157 -0.01464 0.01563 -0.00204 162 3PX -0.01028 -0.00965 -0.01428 -0.00140 -0.00300 163 3PY 0.01751 0.00805 0.00376 0.00179 -0.00018 164 3PZ -0.00429 -0.00033 -0.01107 0.00553 -0.00243 165 4XX -0.00038 0.00074 0.00023 -0.00011 0.00029 166 4YY -0.00026 -0.00064 0.00002 -0.00131 0.00008 167 4ZZ 0.00161 -0.00159 0.00074 -0.00141 -0.00007 168 4XY 0.00093 0.00002 0.00074 -0.00017 0.00011 169 4XZ 0.00036 0.00054 0.00019 0.00018 0.00003 170 4YZ -0.00033 0.00031 0.00000 0.00037 -0.00002 171 21 C 1S -0.00578 0.00104 -0.00212 0.00103 0.00013 172 2S 0.00761 -0.00144 0.00110 -0.00495 0.00008 173 2PX 0.01627 0.00058 0.00342 -0.01170 -0.00038 174 2PY -0.01417 -0.00120 0.00184 0.00542 0.00082 175 2PZ 0.00990 0.00154 0.00727 0.00443 -0.00090 176 3S 0.00726 -0.00453 0.00147 -0.00638 0.00027 177 3PX -0.00046 0.00192 -0.00293 -0.00306 0.00012 178 3PY 0.00282 0.00136 0.00214 0.00171 0.00014 179 3PZ -0.01019 0.00563 -0.00603 0.01065 -0.00062 180 4XX -0.00435 0.00128 -0.00265 0.00168 0.00014 181 4YY -0.00073 -0.00035 -0.00014 0.00045 -0.00004 182 4ZZ 0.00508 -0.00082 0.00295 -0.00203 -0.00010 183 4XY 0.00034 -0.00199 0.00066 -0.00125 -0.00017 184 4XZ -0.00165 -0.00001 -0.00047 0.00098 0.00008 185 4YZ 0.00500 -0.00128 0.00164 -0.00196 -0.00029 186 22 H 1S -0.01987 0.00330 -0.01057 0.00974 0.00043 187 2S -0.03335 0.00916 -0.01918 0.01741 0.00014 188 23 H 1S 0.02169 -0.00247 0.01271 -0.00647 -0.00041 189 2S 0.03674 -0.00764 0.02331 -0.01666 -0.00013 11 12 13 14 15 11 4YY 0.00182 12 4ZZ -0.00074 0.00145 13 4XY 0.00025 -0.00042 0.00050 14 4XZ 0.00036 -0.00005 -0.00012 0.00080 15 4YZ 0.00014 0.00001 -0.00024 0.00007 0.00069 16 2 H 1S 0.01643 -0.00987 0.00312 0.00188 0.00187 17 2S 0.01564 -0.00878 0.00284 0.00274 0.00125 18 3 C 1S 0.00157 0.00015 -0.00328 0.00426 0.00305 19 2S -0.00331 -0.00112 0.00656 -0.00793 -0.00598 20 2PX 0.00171 -0.00203 -0.00342 0.00374 0.00839 21 2PY 0.01211 -0.00119 0.00307 0.00651 -0.00168 22 2PZ -0.00130 -0.01315 0.00812 -0.00039 -0.00159 23 3S -0.00595 0.00237 0.00374 -0.00648 -0.00420 24 3PX 0.00101 -0.00480 0.00049 0.00182 0.00311 25 3PY 0.00322 0.00096 -0.00001 0.00309 0.00026 26 3PZ -0.00070 -0.00673 0.00249 0.00093 0.00118 27 4XX -0.00029 0.00026 -0.00035 0.00016 -0.00002 28 4YY 0.00092 -0.00037 0.00017 0.00025 0.00004 29 4ZZ -0.00040 0.00024 -0.00025 -0.00009 0.00045 30 4XY 0.00024 -0.00058 0.00030 0.00014 -0.00013 31 4XZ 0.00056 -0.00016 -0.00001 0.00046 -0.00005 32 4YZ -0.00026 0.00036 -0.00030 0.00012 0.00013 33 4 H 1S -0.00522 0.00583 -0.00373 -0.00365 0.00226 34 2S -0.00500 0.00637 -0.00551 -0.00137 0.00402 35 5 C 1S -0.00180 0.00070 -0.00113 -0.00051 0.00077 36 2S 0.00430 -0.00116 0.00212 0.00101 -0.00144 37 2PX -0.00157 -0.00443 0.00069 0.00347 0.00200 38 2PY -0.00957 0.00253 -0.00619 -0.00105 0.00442 39 2PZ 0.00049 -0.00436 0.00134 0.00276 0.00100 40 3S 0.00659 -0.00368 0.00410 0.00095 -0.00242 41 3PX -0.00046 -0.00272 -0.00058 0.00322 0.00179 42 3PY -0.00486 0.00245 -0.00242 -0.00017 0.00131 43 3PZ -0.00048 -0.00323 0.00134 0.00196 0.00002 44 4XX -0.00016 0.00000 -0.00022 0.00001 0.00009 45 4YY -0.00006 0.00001 0.00029 -0.00021 -0.00022 46 4ZZ -0.00025 0.00015 -0.00018 -0.00002 0.00017 47 4XY -0.00013 0.00015 0.00008 -0.00009 -0.00031 48 4XZ 0.00009 0.00001 0.00005 0.00004 -0.00004 49 4YZ 0.00010 0.00047 -0.00023 0.00000 0.00002 50 6 H 1S -0.00257 0.00005 -0.00096 -0.00024 0.00056 51 2S -0.00382 -0.00042 -0.00056 -0.00106 0.00006 52 7 C 1S -0.00089 -0.00051 0.00036 -0.00002 -0.00007 53 2S 0.00058 0.00010 -0.00059 -0.00045 0.00001 54 2PX -0.00193 0.00232 -0.00101 0.00018 0.00133 55 2PY -0.00135 0.00092 0.00081 0.00035 0.00035 56 2PZ -0.00064 0.00072 0.00128 0.00001 -0.00161 57 3S 0.00047 0.00023 -0.00191 0.00013 0.00076 58 3PX -0.00172 0.00193 -0.00135 0.00025 0.00091 59 3PY 0.00022 0.00011 0.00109 -0.00033 0.00000 60 3PZ -0.00031 0.00143 0.00092 0.00011 -0.00167 61 4XX -0.00013 -0.00019 -0.00003 0.00024 0.00005 62 4YY 0.00035 -0.00009 0.00015 0.00006 0.00004 63 4ZZ -0.00009 0.00022 -0.00005 -0.00015 -0.00013 64 4XY -0.00015 0.00005 -0.00017 -0.00003 0.00004 65 4XZ 0.00006 -0.00015 0.00003 0.00008 0.00000 66 4YZ -0.00004 0.00013 0.00004 0.00000 -0.00026 67 8 H 1S 0.00080 -0.00010 0.00063 0.00025 0.00041 68 2S 0.00150 -0.00034 0.00074 0.00070 0.00058 69 9 C 1S -0.00147 0.00048 0.00026 -0.00002 -0.00115 70 2S 0.00323 -0.00116 -0.00059 0.00015 0.00206 71 2PX 0.00055 -0.00009 0.00009 -0.00098 0.00043 72 2PY -0.00823 0.00397 0.00136 -0.00095 -0.00747 73 2PZ -0.00097 -0.00003 0.00052 0.00083 -0.00103 74 3S 0.00537 -0.00302 -0.00020 0.00004 0.00257 75 3PX 0.00065 -0.00022 0.00026 -0.00073 0.00023 76 3PY -0.00561 0.00316 0.00005 -0.00108 -0.00321 77 3PZ 0.00009 -0.00049 0.00015 0.00081 -0.00057 78 4XX -0.00023 0.00007 0.00005 0.00006 -0.00022 79 4YY 0.00008 0.00022 -0.00008 -0.00008 0.00034 80 4ZZ -0.00010 -0.00005 0.00001 -0.00002 -0.00021 81 4XY 0.00002 -0.00016 -0.00002 -0.00031 -0.00008 82 4XZ 0.00004 -0.00006 -0.00001 0.00000 -0.00002 83 4YZ -0.00018 0.00001 -0.00014 -0.00009 0.00020 84 10 H 1S -0.00101 -0.00009 0.00009 -0.00074 -0.00098 85 2S -0.00204 -0.00035 -0.00015 -0.00102 -0.00108 86 11 H 1S -0.00150 0.00116 0.00008 0.00098 -0.00103 87 2S -0.00214 0.00228 0.00024 0.00119 -0.00089 88 12 C 1S 0.00160 -0.00514 0.00142 0.00202 -0.00342 89 2S -0.00340 0.00883 -0.00264 -0.00374 0.00671 90 2PX -0.00077 0.00552 0.00083 0.00934 0.00319 91 2PY 0.00957 -0.00783 -0.00039 0.00272 0.00450 92 2PZ 0.00336 0.00083 0.00418 0.00372 -0.00867 93 3S -0.00667 0.01156 -0.00427 -0.00375 0.00651 94 3PX -0.00049 0.00249 0.00052 0.00452 0.00142 95 3PY 0.00358 -0.00396 0.00017 0.00108 0.00193 96 3PZ 0.00225 -0.00001 0.00233 0.00132 -0.00441 97 4XX -0.00030 0.00006 0.00018 -0.00030 -0.00042 98 4YY 0.00086 -0.00056 0.00003 0.00018 0.00021 99 4ZZ -0.00041 0.00028 -0.00004 0.00017 -0.00012 100 4XY -0.00003 -0.00010 -0.00007 -0.00036 -0.00012 101 4XZ 0.00015 0.00050 -0.00015 0.00068 -0.00012 102 4YZ 0.00032 -0.00034 -0.00002 -0.00003 0.00031 103 13 H 1S -0.00292 0.00122 0.00000 -0.00736 -0.00221 104 2S -0.00212 -0.00213 0.00171 -0.00626 -0.00322 105 14 H 1S -0.00252 0.00812 0.00084 0.00433 -0.00161 106 2S -0.00181 0.00540 0.00071 0.00556 -0.00300 107 15 C 1S 0.00035 -0.00053 0.00040 -0.00138 0.00024 108 2S -0.00180 -0.00005 -0.00127 0.00352 -0.00079 109 2PX -0.00248 0.00107 -0.00355 0.00702 -0.00195 110 2PY 0.00289 -0.00120 -0.00073 -0.00350 -0.00063 111 2PZ -0.00055 -0.00172 -0.00299 0.00288 -0.00184 112 3S -0.00437 0.00028 -0.00228 0.00460 0.00003 113 3PX -0.00191 0.00066 -0.00196 0.00470 -0.00193 114 3PY -0.00015 0.00086 -0.00017 -0.00262 0.00023 115 3PZ -0.00113 -0.00039 -0.00239 0.00304 -0.00037 116 4XX 0.00000 0.00012 0.00002 -0.00027 -0.00016 117 4YY 0.00018 -0.00011 0.00001 0.00007 0.00004 118 4ZZ -0.00007 0.00006 0.00004 0.00002 0.00016 119 4XY -0.00013 -0.00017 -0.00003 0.00001 0.00001 120 4XZ 0.00002 0.00012 -0.00013 0.00000 -0.00002 121 4YZ -0.00019 -0.00003 -0.00004 0.00028 0.00000 122 16 H 1S -0.00186 0.00093 0.00061 0.00260 0.00068 123 2S -0.00106 0.00101 0.00062 0.00082 0.00128 124 17 C 1S -0.00021 0.00075 0.00041 -0.00035 0.00023 125 2S 0.00063 -0.00127 -0.00057 0.00042 -0.00020 126 2PX -0.00052 -0.00316 -0.00186 0.00340 -0.00077 127 2PY -0.00154 0.00055 0.00100 0.00121 0.00069 128 2PZ -0.00030 -0.00259 -0.00132 0.00269 -0.00063 129 3S 0.00229 -0.00391 -0.00034 0.00204 -0.00080 130 3PX -0.00040 -0.00182 -0.00102 0.00161 -0.00009 131 3PY -0.00159 -0.00041 -0.00008 0.00080 0.00049 132 3PZ -0.00030 -0.00267 -0.00056 0.00211 -0.00061 133 4XX -0.00002 0.00004 0.00002 -0.00001 -0.00003 134 4YY -0.00001 -0.00007 -0.00004 0.00006 -0.00002 135 4ZZ -0.00003 0.00011 0.00010 -0.00009 0.00009 136 4XY 0.00014 -0.00008 0.00015 -0.00029 0.00008 137 4XZ 0.00004 -0.00014 -0.00006 -0.00002 0.00000 138 4YZ 0.00008 0.00008 0.00014 -0.00020 0.00006 139 18 H 1S -0.00041 0.00042 0.00030 0.00018 0.00028 140 2S -0.00052 0.00119 0.00027 -0.00003 0.00006 141 19 O 1S 0.00023 0.00028 -0.00006 0.00016 0.00004 142 2S -0.00057 -0.00073 0.00024 -0.00033 -0.00003 143 2PX -0.00063 -0.00150 0.00124 0.00002 0.00015 144 2PY 0.00012 -0.00008 0.00006 -0.00037 -0.00016 145 2PZ 0.00033 0.00018 0.00018 0.00185 0.00029 146 3S 0.00000 0.00002 0.00066 -0.00128 -0.00089 147 3PX -0.00012 -0.00064 0.00115 -0.00045 0.00004 148 3PY 0.00012 -0.00003 0.00016 -0.00014 -0.00027 149 3PZ 0.00031 -0.00019 0.00042 0.00087 0.00060 150 4XX -0.00012 -0.00005 -0.00011 0.00028 -0.00001 151 4YY 0.00005 -0.00008 0.00002 0.00002 0.00002 152 4ZZ -0.00003 -0.00002 0.00007 -0.00009 0.00007 153 4XY -0.00001 -0.00009 0.00002 -0.00003 -0.00003 154 4XZ 0.00004 0.00000 -0.00003 -0.00008 0.00001 155 4YZ -0.00005 0.00001 -0.00002 0.00018 0.00002 156 20 O 1S -0.00010 -0.00031 -0.00006 0.00004 -0.00004 157 2S 0.00016 0.00063 0.00016 0.00011 0.00001 158 2PX 0.00026 0.00265 0.00115 -0.00161 0.00050 159 2PY 0.00054 -0.00067 -0.00047 -0.00051 -0.00006 160 2PZ 0.00099 0.00150 0.00068 -0.00201 0.00048 161 3S 0.00017 0.00190 -0.00008 -0.00077 0.00019 162 3PX 0.00024 0.00241 0.00085 -0.00155 0.00045 163 3PY 0.00053 -0.00060 -0.00034 -0.00030 -0.00009 164 3PZ 0.00075 0.00124 0.00066 -0.00166 0.00040 165 4XX -0.00002 -0.00014 -0.00002 0.00010 0.00000 166 4YY -0.00001 -0.00003 0.00003 0.00005 -0.00001 167 4ZZ -0.00002 0.00003 0.00001 -0.00002 0.00000 168 4XY -0.00004 -0.00007 -0.00002 0.00008 -0.00002 169 4XZ -0.00001 -0.00002 -0.00001 0.00002 -0.00001 170 4YZ 0.00001 -0.00003 0.00000 -0.00002 -0.00002 171 21 C 1S 0.00012 0.00005 0.00008 -0.00021 -0.00008 172 2S -0.00017 0.00015 -0.00004 0.00079 0.00012 173 2PX 0.00010 0.00035 0.00011 0.00051 0.00001 174 2PY -0.00010 -0.00049 0.00030 -0.00036 0.00000 175 2PZ 0.00043 0.00007 0.00016 -0.00021 0.00018 176 3S -0.00001 0.00017 -0.00013 0.00131 0.00020 177 3PX 0.00018 0.00007 0.00017 -0.00004 0.00010 178 3PY 0.00011 -0.00037 0.00012 -0.00019 0.00001 179 3PZ 0.00031 0.00029 0.00032 -0.00022 0.00035 180 4XX -0.00002 0.00001 0.00006 -0.00009 0.00003 181 4YY 0.00002 0.00002 -0.00004 0.00004 0.00000 182 4ZZ -0.00001 -0.00005 -0.00002 0.00000 -0.00001 183 4XY 0.00001 0.00011 0.00001 -0.00003 0.00001 184 4XZ -0.00003 0.00000 -0.00001 0.00001 0.00001 185 4YZ 0.00003 0.00010 -0.00002 -0.00009 0.00001 186 22 H 1S -0.00014 0.00002 0.00017 -0.00033 0.00009 187 2S 0.00011 0.00022 0.00051 -0.00109 0.00023 188 23 H 1S 0.00004 -0.00012 -0.00005 0.00015 -0.00005 189 2S -0.00013 -0.00055 -0.00040 -0.00007 -0.00040 16 17 18 19 20 16 2 H 1S 0.21712 17 2S 0.17440 0.16355 18 3 C 1S 0.01191 0.01299 2.05281 19 2S -0.02362 -0.02258 -0.06115 0.32266 20 2PX 0.02306 0.04379 -0.00067 -0.00484 0.37618 21 2PY 0.03645 0.07225 0.00016 0.00179 -0.00119 22 2PZ -0.01349 -0.00915 0.00043 0.00531 -0.02998 23 3S -0.06220 -0.05662 -0.16361 0.24865 0.02213 24 3PX 0.01726 0.02677 -0.00326 0.01739 0.17601 25 3PY 0.00542 0.00844 0.00301 -0.01630 -0.00845 26 3PZ -0.00750 -0.00034 0.00460 -0.01539 0.07000 27 4XX -0.00163 -0.00336 -0.01469 -0.00848 -0.00596 28 4YY 0.00783 0.00863 -0.01701 -0.00296 0.00395 29 4ZZ -0.00249 -0.00300 -0.01550 -0.00632 0.00561 30 4XY 0.00409 0.00226 0.00121 -0.00186 -0.00522 31 4XZ 0.00314 0.00472 0.00467 -0.00969 -0.00106 32 4YZ -0.00322 -0.00244 -0.00186 0.00315 0.01100 33 4 H 1S -0.02200 -0.02787 -0.06071 0.11256 0.14362 34 2S -0.02601 -0.03418 -0.01402 0.02576 0.13442 35 5 C 1S -0.00869 -0.01239 0.01692 -0.03305 -0.00295 36 2S 0.01886 0.02562 -0.03304 0.05634 0.00728 37 2PX -0.00144 -0.00863 -0.00296 0.00730 0.12927 38 2PY -0.03545 -0.07001 0.07818 -0.16029 -0.00831 39 2PZ 0.00186 0.00350 -0.00241 -0.00134 0.10474 40 3S 0.05549 0.06321 -0.00349 0.03561 -0.00963 41 3PX -0.00101 -0.00476 -0.00088 -0.00639 0.10574 42 3PY -0.03133 -0.04720 0.01365 -0.04391 -0.01367 43 3PZ 0.00051 -0.00120 -0.00183 0.00681 0.05991 44 4XX -0.00040 -0.00029 0.00255 -0.00569 0.00048 45 4YY -0.00129 -0.00121 -0.00670 0.01176 -0.00131 46 4ZZ -0.00074 -0.00173 0.00259 -0.00585 -0.00087 47 4XY -0.00159 -0.00224 0.00009 0.00040 -0.01287 48 4XZ 0.00027 0.00049 -0.00063 0.00155 0.00074 49 4YZ 0.00095 0.00046 -0.00018 -0.00007 -0.00023 50 6 H 1S -0.00965 -0.01979 0.01233 -0.02542 -0.01705 51 2S -0.01855 -0.02647 0.01533 -0.02619 -0.03431 52 7 C 1S -0.00244 -0.00297 -0.00333 0.00831 -0.00085 53 2S 0.00764 0.01301 0.00838 -0.01908 0.00081 54 2PX -0.00919 -0.03257 0.00762 -0.02486 -0.00936 55 2PY -0.00913 -0.02555 -0.01159 0.02629 -0.00389 56 2PZ -0.00212 -0.00278 -0.00498 0.01550 -0.02239 57 3S 0.00443 0.01396 0.00440 -0.01915 0.04505 58 3PX -0.01168 -0.02716 0.00373 -0.01256 -0.00137 59 3PY 0.00984 0.00273 -0.00192 0.00996 -0.00952 60 3PZ -0.00210 -0.00651 -0.00474 0.01010 -0.04068 61 4XX -0.00013 -0.00078 0.00063 -0.00135 0.00749 62 4YY 0.00080 0.00150 -0.00180 0.00430 -0.00157 63 4ZZ -0.00010 -0.00034 0.00070 -0.00116 -0.00443 64 4XY -0.00063 -0.00074 0.00113 -0.00212 -0.00068 65 4XZ 0.00025 0.00070 -0.00051 0.00101 0.00347 66 4YZ -0.00041 -0.00058 -0.00077 0.00144 -0.00200 67 8 H 1S 0.00177 -0.00102 -0.00869 0.01886 -0.00145 68 2S -0.00102 -0.00333 -0.01239 0.02562 -0.00865 69 9 C 1S -0.00723 -0.00942 -0.00257 0.00476 0.00007 70 2S 0.01486 0.01986 0.00458 -0.00827 -0.00433 71 2PX 0.00171 0.00521 0.00190 -0.00428 -0.00988 72 2PY -0.03615 -0.06071 -0.00372 0.00822 -0.02702 73 2PZ -0.00436 -0.02129 -0.00739 0.01106 0.01631 74 3S 0.04579 0.05053 0.01322 -0.02238 0.01056 75 3PX 0.00448 0.00655 0.00114 -0.00178 -0.00280 76 3PY -0.03711 -0.04865 -0.00337 0.00706 -0.02427 77 3PZ 0.00006 -0.00618 -0.00484 0.00681 0.01217 78 4XX -0.00079 -0.00232 -0.00032 0.00038 0.00046 79 4YY -0.00015 0.00022 -0.00014 0.00031 -0.00079 80 4ZZ -0.00013 0.00025 0.00031 -0.00054 0.00010 81 4XY 0.00028 0.00031 -0.00008 0.00038 -0.00044 82 4XZ 0.00015 0.00030 -0.00016 0.00034 0.00092 83 4YZ -0.00195 -0.00306 0.00024 -0.00092 0.00142 84 10 H 1S -0.00563 -0.01413 -0.00115 0.00107 0.00301 85 2S -0.01298 -0.02005 -0.00181 0.00204 0.01672 86 11 H 1S -0.00689 -0.01807 -0.00055 0.00017 0.00016 87 2S -0.01107 -0.02524 -0.00082 -0.00032 -0.00248 88 12 C 1S 0.01132 0.01371 -0.00300 0.00560 -0.00464 89 2S -0.02324 -0.02617 0.00630 -0.01496 0.01225 90 2PX -0.00613 -0.01349 0.00821 -0.02139 0.00172 91 2PY 0.03138 0.06027 -0.00155 0.00386 -0.00262 92 2PZ 0.03099 0.06518 -0.01169 0.03072 -0.04495 93 3S -0.06134 -0.06555 0.00719 -0.01553 0.00302 94 3PX -0.00467 -0.00746 0.00449 -0.00887 0.00097 95 3PY 0.00682 0.01815 -0.00383 0.00834 -0.00363 96 3PZ 0.02343 0.03476 -0.00786 0.01810 -0.04039 97 4XX -0.00169 -0.00053 -0.00121 0.00245 0.00006 98 4YY 0.00661 0.00732 0.00061 -0.00140 0.00259 99 4ZZ -0.00180 -0.00464 -0.00030 0.00014 -0.00511 100 4XY -0.00108 -0.00046 -0.00020 0.00065 -0.00119 101 4XZ 0.00100 0.00155 0.00130 -0.00289 -0.00044 102 4YZ 0.00493 0.00213 0.00048 -0.00129 0.00368 103 13 H 1S -0.01379 -0.00767 -0.00763 0.01920 -0.00655 104 2S -0.01177 0.00025 -0.01107 0.02878 -0.00421 105 14 H 1S -0.00930 -0.00534 0.00169 -0.00353 -0.02398 106 2S -0.00663 -0.00314 0.00163 -0.00424 -0.01985 107 15 C 1S 0.00502 0.00457 -0.00247 0.00390 -0.01076 108 2S -0.00906 -0.00598 0.00405 -0.00798 0.02540 109 2PX -0.01923 -0.02956 0.00643 -0.02262 0.02887 110 2PY 0.01720 0.02380 -0.00208 0.00526 -0.01533 111 2PZ -0.00411 -0.01471 0.00276 -0.00599 0.00686 112 3S -0.03395 -0.03726 0.00564 -0.01488 0.06308 113 3PX -0.01561 -0.02075 0.00796 -0.01053 0.00784 114 3PY -0.00670 -0.00652 -0.00434 0.00910 -0.02288 115 3PZ -0.00780 -0.01655 0.00218 -0.01290 0.03184 116 4XX 0.00019 -0.00124 -0.00108 0.00173 -0.00805 117 4YY 0.00147 0.00224 0.00005 -0.00074 0.00339 118 4ZZ -0.00093 -0.00093 -0.00020 -0.00025 0.00147 119 4XY -0.00185 -0.00028 -0.00014 0.00029 0.00409 120 4XZ 0.00018 -0.00080 0.00051 -0.00110 -0.00235 121 4YZ -0.00190 -0.00131 0.00042 -0.00067 0.00565 122 16 H 1S -0.01099 -0.00796 0.00195 -0.00599 0.03032 123 2S -0.00732 -0.00374 0.00053 -0.00296 0.02553 124 17 C 1S -0.00212 -0.00397 -0.00121 0.00225 -0.01345 125 2S 0.00347 0.00648 0.00129 -0.00316 0.02801 126 2PX -0.00405 0.00506 0.00529 -0.01226 0.08191 127 2PY -0.01146 -0.02194 -0.00060 0.00089 0.00694 128 2PZ -0.00399 0.00619 0.00285 -0.00691 0.06450 129 3S 0.02475 0.03428 0.00734 -0.01230 0.06715 130 3PX -0.00356 0.00293 0.00222 -0.00902 0.06087 131 3PY -0.01367 -0.01740 -0.00212 0.00248 0.03105 132 3PZ -0.00178 0.00603 0.00397 -0.00409 0.05271 133 4XX -0.00019 0.00019 -0.00019 0.00018 -0.00161 134 4YY 0.00019 0.00012 -0.00003 0.00017 0.00101 135 4ZZ -0.00024 -0.00077 -0.00034 0.00050 -0.00149 136 4XY 0.00130 0.00179 -0.00008 0.00078 -0.00070 137 4XZ 0.00036 0.00123 0.00023 -0.00033 0.00178 138 4YZ 0.00063 0.00132 -0.00024 0.00067 -0.00186 139 18 H 1S -0.00264 -0.01051 0.00030 -0.00027 -0.00341 140 2S -0.00410 -0.01335 0.00056 0.00036 -0.02841 141 19 O 1S 0.00111 -0.00395 0.00051 -0.00202 0.00348 142 2S -0.00243 0.00848 -0.00189 0.00462 -0.00390 143 2PX -0.00625 0.00214 -0.00395 0.01583 -0.00883 144 2PY 0.00396 -0.01355 0.00091 0.00375 -0.00008 145 2PZ -0.00270 0.00210 -0.00008 0.00013 0.00216 146 3S -0.00225 0.01631 -0.00038 0.01149 -0.03957 147 3PX -0.00365 0.00331 -0.00273 0.01327 -0.01517 148 3PY 0.00324 -0.00780 0.00105 0.00295 -0.00386 149 3PZ -0.00043 0.00471 -0.00115 0.00086 0.00654 150 4XX -0.00074 -0.00106 0.00002 -0.00078 0.00221 151 4YY 0.00088 -0.00042 -0.00031 0.00001 0.00127 152 4ZZ 0.00000 0.00012 -0.00038 0.00005 0.00087 153 4XY -0.00031 0.00007 -0.00007 0.00077 -0.00047 154 4XZ 0.00026 -0.00013 -0.00014 -0.00012 0.00004 155 4YZ -0.00070 -0.00051 -0.00002 -0.00031 0.00143 156 20 O 1S 0.00035 0.00089 0.00007 0.00040 0.00321 157 2S -0.00098 -0.00248 0.00022 -0.00139 -0.00582 158 2PX -0.00065 -0.01054 -0.00257 0.00625 -0.04653 159 2PY 0.00486 0.00384 0.00134 0.00019 0.00320 160 2PZ 0.00629 0.00258 -0.00130 0.00361 -0.03070 161 3S -0.00316 -0.00379 -0.00155 -0.00180 -0.02325 162 3PX -0.00035 -0.00831 -0.00267 0.00525 -0.04322 163 3PY 0.00492 0.00408 0.00133 -0.00033 0.00294 164 3PZ 0.00532 0.00127 -0.00124 0.00379 -0.02748 165 4XX -0.00019 0.00010 0.00020 -0.00021 0.00302 166 4YY 0.00000 -0.00010 0.00010 -0.00004 0.00051 167 4ZZ -0.00004 -0.00034 0.00020 -0.00016 -0.00120 168 4XY -0.00017 0.00001 0.00008 -0.00015 0.00130 169 4XZ 0.00001 0.00008 0.00000 0.00000 0.00049 170 4YZ 0.00009 0.00032 -0.00005 0.00012 -0.00006 171 21 C 1S -0.00016 0.00049 -0.00041 0.00056 -0.00205 172 2S -0.00028 -0.00331 0.00096 -0.00225 0.00628 173 2PX 0.00123 -0.00391 0.00107 -0.00265 0.00581 174 2PY -0.00169 0.00499 -0.00163 0.00251 0.00005 175 2PZ 0.00226 0.00621 0.00023 0.00003 -0.00656 176 3S -0.00007 -0.00350 0.00170 -0.00309 0.01022 177 3PX 0.00065 -0.00148 -0.00050 0.00093 0.00026 178 3PY 0.00099 0.00243 -0.00065 0.00162 0.00013 179 3PZ 0.00056 0.00285 -0.00063 0.00159 -0.00952 180 4XX -0.00033 -0.00038 -0.00026 0.00081 -0.00170 181 4YY 0.00004 0.00028 0.00015 -0.00053 0.00084 182 4ZZ 0.00016 0.00013 0.00006 -0.00027 0.00087 183 4XY 0.00002 -0.00007 -0.00001 -0.00032 -0.00117 184 4XZ -0.00030 0.00000 0.00001 -0.00008 0.00033 185 4YZ 0.00039 -0.00050 0.00009 -0.00010 -0.00136 186 22 H 1S -0.00140 -0.00041 -0.00114 0.00323 -0.00734 187 2S -0.00091 0.00084 -0.00252 0.00657 -0.01859 188 23 H 1S 0.00095 0.00160 0.00060 -0.00123 0.00329 189 2S 0.00107 0.00182 0.00073 -0.00223 0.00885 21 22 23 24 25 21 2PY 0.41170 22 2PZ -0.00110 0.38735 23 3S 0.00969 -0.03214 0.25657 24 3PX -0.00819 0.07818 0.00072 0.11423 25 3PY 0.13862 -0.02024 0.00375 -0.01398 0.06130 26 3PZ -0.00482 0.17789 -0.01303 0.07214 -0.01163 27 4XX -0.00664 -0.00359 -0.00534 -0.00360 -0.00030 28 4YY 0.01230 -0.00061 -0.00284 0.00132 0.00283 29 4ZZ -0.00920 -0.00128 -0.00292 0.00168 -0.00273 30 4XY -0.00013 0.01185 -0.00410 0.00105 0.00035 31 4XZ 0.00950 0.00187 -0.00850 -0.00039 0.00284 32 4YZ -0.00154 -0.00881 0.00630 0.00273 0.00069 33 4 H 1S -0.13207 -0.17756 0.11844 0.03332 -0.04140 34 2S -0.11903 -0.16939 0.05629 0.02188 -0.02827 35 5 C 1S -0.07818 -0.00243 -0.00348 -0.00087 -0.01365 36 2S 0.16030 -0.00130 0.03560 -0.00640 0.04390 37 2PX 0.00837 0.10473 -0.00961 0.10573 0.01369 38 2PY -0.31017 -0.00095 -0.12792 -0.01572 -0.09140 39 2PZ 0.00088 0.10598 0.04450 0.05382 0.01164 40 3S 0.12790 0.04453 -0.01466 0.00468 0.01707 41 3PX 0.01575 0.05383 0.00468 0.06747 0.01781 42 3PY -0.09140 -0.01167 -0.01708 -0.01780 -0.01565 43 3PZ -0.01613 0.08688 0.01534 0.04683 0.00090 44 4XX -0.00877 0.00024 -0.00643 0.00102 -0.00376 45 4YY 0.00531 0.00026 0.01171 -0.00009 0.00248 46 4ZZ -0.00890 -0.00164 -0.00535 -0.00102 -0.00257 47 4XY 0.00170 -0.00012 -0.00260 -0.00551 0.00062 48 4XZ 0.00314 -0.00041 0.00361 0.00035 0.00183 49 4YZ -0.00015 -0.01359 0.00412 -0.00452 0.00151 50 6 H 1S -0.04221 0.01382 -0.06008 0.00552 -0.01938 51 2S -0.08480 0.03895 -0.06802 0.00751 -0.03689 52 7 C 1S 0.01243 0.00569 -0.00554 0.00905 0.00497 53 2S -0.03366 -0.01606 -0.01879 -0.00955 -0.01899 54 2PX -0.03065 -0.03079 0.04542 -0.04821 0.01782 55 2PY 0.03313 0.00547 0.09051 -0.00125 0.04908 56 2PZ 0.01620 -0.00818 -0.01683 -0.00248 0.00505 57 3S -0.02587 -0.03705 -0.00758 0.00837 -0.01416 58 3PX -0.01774 -0.03540 0.03266 -0.02687 0.01663 59 3PY -0.00696 0.00497 0.02593 -0.00430 0.00657 60 3PZ 0.02573 -0.01553 0.00837 -0.02529 0.01537 61 4XX -0.00232 0.00589 -0.00122 0.00517 -0.00041 62 4YY 0.00957 0.00049 0.00659 -0.00046 0.00486 63 4ZZ -0.00253 -0.00436 -0.00367 -0.00272 -0.00245 64 4XY -0.00620 -0.00134 -0.00410 0.00058 -0.00242 65 4XZ 0.00105 0.00276 0.00095 0.00322 0.00017 66 4YZ 0.00443 -0.00100 0.00242 -0.00179 0.00131 67 8 H 1S 0.03545 0.00186 0.05549 -0.00102 0.03132 68 2S 0.07001 0.00350 0.06321 -0.00478 0.04720 69 9 C 1S 0.00367 0.00691 0.01064 0.00080 0.00347 70 2S -0.00674 -0.01714 -0.02111 -0.00312 -0.00635 71 2PX -0.00740 -0.01203 -0.01032 -0.00922 -0.01592 72 2PY -0.01149 0.00323 0.01834 -0.01840 -0.00771 73 2PZ 0.02286 0.02531 0.07926 -0.00126 0.02535 74 3S -0.02934 -0.01865 -0.05518 0.00751 -0.02595 75 3PX -0.00153 -0.00388 -0.00627 -0.00305 -0.00816 76 3PY -0.00837 -0.00269 0.01615 -0.01526 -0.00139 77 3PZ 0.02356 0.01109 0.03889 0.00164 0.01604 78 4XX -0.00009 0.00093 0.00339 -0.00055 0.00108 79 4YY 0.00193 -0.00189 0.00114 -0.00065 0.00177 80 4ZZ -0.00206 0.00072 -0.00281 0.00070 -0.00240 81 4XY -0.00106 0.00046 0.00081 -0.00028 -0.00118 82 4XZ 0.00084 0.00058 0.00035 0.00122 -0.00038 83 4YZ 0.00008 0.00001 0.00125 -0.00014 0.00087 84 10 H 1S -0.00057 0.00693 0.02282 -0.00289 -0.00354 85 2S -0.00440 0.02170 0.02058 0.00987 -0.00586 86 11 H 1S 0.00254 0.00080 0.01826 -0.00492 0.01325 87 2S 0.00694 -0.00614 0.02670 -0.01262 0.02033 88 12 C 1S -0.00163 0.01211 0.00530 -0.00017 -0.00382 89 2S 0.00613 -0.03004 -0.00812 -0.00286 0.00836 90 2PX 0.01051 -0.03104 -0.02614 -0.00634 0.02655 91 2PY 0.00398 0.00719 -0.00987 0.00896 0.00609 92 2PZ -0.00704 0.02368 -0.00232 -0.00252 -0.03111 93 3S -0.01221 -0.07677 0.01487 -0.02179 0.01662 94 3PX 0.00720 -0.01253 -0.00588 -0.00424 0.01381 95 3PY 0.00410 0.02187 0.01042 0.00545 0.00612 96 3PZ 0.00940 0.01989 -0.00917 -0.00446 -0.00846 97 4XX -0.00208 0.00511 0.00178 0.00130 -0.00286 98 4YY 0.00167 -0.00212 -0.00262 0.00108 0.00003 99 4ZZ -0.00111 -0.00087 0.00043 -0.00257 0.00170 100 4XY 0.00022 -0.00022 0.00113 -0.00076 -0.00091 101 4XZ 0.00295 -0.00896 -0.00249 -0.00172 0.00211 102 4YZ 0.00170 -0.00027 0.00106 0.00098 0.00183 103 13 H 1S -0.01490 0.03093 0.01803 0.00338 -0.02723 104 2S -0.02116 0.07118 0.02601 0.01117 -0.03699 105 14 H 1S 0.00267 -0.02741 -0.01508 -0.01274 0.00279 106 2S -0.00096 -0.02211 -0.01586 -0.00779 0.00269 107 15 C 1S -0.00027 -0.00437 0.01009 -0.01204 -0.00300 108 2S 0.00107 0.01094 -0.02309 0.02809 0.00304 109 2PX -0.00088 0.00096 0.00197 0.02417 0.01868 110 2PY -0.00125 -0.00987 0.01382 -0.01781 -0.00548 111 2PZ -0.00233 -0.01185 -0.01923 0.01822 0.00934 112 3S 0.00058 0.03621 -0.00904 0.05218 0.01646 113 3PX -0.00183 -0.00069 -0.00674 0.01416 0.01018 114 3PY -0.00274 -0.01585 0.01456 -0.01938 -0.00092 115 3PZ -0.00394 -0.00704 -0.00456 0.02114 0.01172 116 4XX -0.00030 -0.00437 -0.00151 -0.00382 0.00110 117 4YY 0.00025 0.00152 0.00115 0.00122 -0.00033 118 4ZZ 0.00029 0.00027 0.00142 -0.00005 -0.00046 119 4XY -0.00084 0.00401 -0.00160 0.00390 -0.00159 120 4XZ 0.00044 -0.00207 0.00122 -0.00223 0.00157 121 4YZ -0.00084 0.00502 -0.00210 0.00508 -0.00030 122 16 H 1S -0.00076 0.02249 -0.00676 0.02242 -0.00118 123 2S -0.00554 0.00802 0.00144 0.01162 -0.00588 124 17 C 1S 0.00314 -0.00938 0.00421 -0.01005 0.00361 125 2S -0.00530 0.02130 0.00146 0.01760 -0.00503 126 2PX -0.01661 0.06107 -0.04816 0.08046 -0.02185 127 2PY -0.00305 0.01112 -0.00384 0.00936 0.00214 128 2PZ -0.01090 0.04864 -0.02721 0.05953 -0.00928 129 3S -0.01406 0.04967 -0.02775 0.05178 -0.01988 130 3PX -0.01038 0.04041 -0.02075 0.05031 -0.01284 131 3PY -0.00141 0.02717 -0.00004 0.02721 0.00281 132 3PZ -0.01628 0.05177 -0.03123 0.05468 -0.01451 133 4XX -0.00005 -0.00079 -0.00085 -0.00076 -0.00037 134 4YY 0.00026 0.00091 -0.00061 0.00139 0.00020 135 4ZZ -0.00004 -0.00061 0.00140 -0.00155 0.00022 136 4XY -0.00030 0.00060 -0.00014 -0.00058 -0.00129 137 4XZ -0.00061 0.00130 -0.00303 0.00236 -0.00151 138 4YZ 0.00041 -0.00059 0.00105 -0.00173 -0.00033 139 18 H 1S -0.00131 -0.00179 0.00439 -0.00436 0.00206 140 2S -0.00218 -0.01952 0.00370 -0.02073 0.00447 141 19 O 1S 0.00093 0.00061 0.00047 0.00122 0.00509 142 2S -0.00300 0.00148 -0.00838 0.00287 -0.01131 143 2PX -0.00282 0.00938 0.01494 -0.00655 -0.02170 144 2PY 0.00134 -0.00070 -0.05041 0.02110 0.00455 145 2PZ 0.00147 0.00864 0.05315 -0.01867 -0.01418 146 3S -0.00330 -0.01485 0.00572 -0.02426 -0.01791 147 3PX 0.00003 0.00298 0.01426 -0.01211 -0.01653 148 3PY 0.00040 -0.00129 -0.03373 0.01198 0.00198 149 3PZ 0.00071 0.00989 0.03708 -0.01071 -0.01247 150 4XX -0.00013 0.00087 0.00005 0.00167 0.00037 151 4YY -0.00017 0.00115 -0.00286 0.00202 0.00047 152 4ZZ -0.00064 0.00156 -0.00033 0.00071 -0.00026 153 4XY -0.00026 0.00047 0.00000 0.00000 -0.00088 154 4XZ 0.00000 -0.00025 0.00114 -0.00050 0.00015 155 4YZ -0.00017 0.00102 0.00179 0.00033 -0.00047 156 20 O 1S -0.00044 0.00289 -0.00680 0.00439 -0.00254 157 2S 0.00008 -0.00443 0.01604 -0.00922 0.00652 158 2PX 0.00750 -0.03391 0.03360 -0.04757 0.01537 159 2PY -0.00220 0.00071 -0.02511 0.01525 -0.00646 160 2PZ 0.00290 -0.02131 0.01775 -0.02879 0.00150 161 3S 0.00514 -0.02646 0.02762 -0.02816 0.00832 162 3PX 0.00919 -0.03501 0.02826 -0.04359 0.01312 163 3PY -0.00126 0.00079 -0.02022 0.01182 -0.00429 164 3PZ 0.00259 -0.01864 0.01698 -0.02610 0.00303 165 4XX -0.00081 0.00285 -0.00092 0.00276 -0.00079 166 4YY -0.00014 0.00092 0.00042 0.00014 0.00029 167 4ZZ -0.00023 -0.00083 -0.00047 -0.00078 0.00022 168 4XY -0.00021 0.00124 -0.00143 0.00173 -0.00056 169 4XZ -0.00007 0.00042 -0.00074 0.00072 -0.00021 170 4YZ 0.00018 -0.00001 0.00016 -0.00016 0.00000 171 21 C 1S -0.00099 -0.00039 0.00370 -0.00285 -0.00063 172 2S 0.00078 0.00210 -0.00762 0.00628 0.00236 173 2PX 0.00134 0.00229 -0.01488 0.00771 0.00546 174 2PY -0.00252 0.00482 0.01445 -0.00477 -0.00390 175 2PZ 0.00066 -0.00835 -0.00496 -0.00515 0.00100 176 3S 0.00743 0.00090 -0.00882 0.00885 0.00509 177 3PX 0.00262 0.00254 -0.00098 0.00088 0.00209 178 3PY -0.00125 0.00160 -0.00169 0.00121 -0.00242 179 3PZ 0.00083 -0.00780 0.00601 -0.01061 -0.00094 180 4XX -0.00020 -0.00046 0.00254 -0.00193 -0.00058 181 4YY -0.00008 0.00036 0.00038 0.00040 -0.00019 182 4ZZ -0.00010 0.00005 -0.00298 0.00152 0.00060 183 4XY 0.00028 -0.00141 0.00191 -0.00185 0.00113 184 4XZ -0.00027 0.00043 0.00113 -0.00010 -0.00045 185 4YZ 0.00032 -0.00176 -0.00211 -0.00027 0.00093 186 22 H 1S -0.00013 -0.00203 0.01392 -0.00889 -0.00351 187 2S 0.00028 -0.00618 0.02352 -0.01995 -0.00502 188 23 H 1S 0.00015 -0.00037 -0.01305 0.00593 0.00280 189 2S -0.00377 0.00543 -0.02037 0.01432 0.00250 26 27 28 29 30 26 3PZ 0.10689 27 4XX -0.00246 0.00089 28 4YY 0.00071 -0.00026 0.00109 29 4ZZ 0.00091 0.00023 -0.00013 0.00083 30 4XY 0.00384 0.00017 -0.00001 -0.00026 0.00099 31 4XZ 0.00096 0.00003 0.00046 -0.00020 0.00021 32 4YZ -0.00135 0.00009 -0.00013 0.00001 -0.00045 33 4 H 1S -0.05510 -0.00081 -0.00372 0.00384 -0.00859 34 2S -0.04605 0.00146 -0.00332 0.00511 -0.00839 35 5 C 1S -0.00183 0.00255 -0.00670 0.00259 -0.00009 36 2S 0.00682 -0.00569 0.01176 -0.00585 -0.00041 37 2PX 0.05991 0.00048 -0.00130 -0.00087 0.01287 38 2PY 0.01610 0.00877 -0.00531 0.00890 0.00170 39 2PZ 0.08688 0.00024 0.00025 -0.00163 0.00012 40 3S 0.01535 -0.00643 0.01171 -0.00535 0.00259 41 3PX 0.04684 0.00101 -0.00009 -0.00102 0.00551 42 3PY -0.00091 0.00376 -0.00248 0.00257 0.00062 43 3PZ 0.05418 0.00068 -0.00102 -0.00132 0.00378 44 4XX 0.00068 0.00024 -0.00025 0.00033 -0.00022 45 4YY -0.00101 -0.00025 -0.00017 -0.00028 0.00010 46 4ZZ -0.00132 0.00033 -0.00028 0.00032 0.00024 47 4XY -0.00377 0.00022 -0.00010 -0.00024 0.00045 48 4XZ -0.00009 0.00000 -0.00024 -0.00004 -0.00008 49 4YZ -0.00598 0.00020 -0.00008 0.00000 -0.00057 50 6 H 1S -0.00273 0.00075 0.00191 0.00084 0.00559 51 2S 0.00209 0.00170 -0.00138 0.00183 0.00598 52 7 C 1S -0.00598 0.00019 -0.00099 -0.00020 0.00170 53 2S -0.00240 -0.00032 0.00213 0.00061 -0.00348 54 2PX 0.00088 0.00279 0.00151 -0.00071 0.00043 55 2PY -0.00087 0.00093 -0.00419 -0.00060 0.00554 56 2PZ -0.03635 0.00158 -0.00322 -0.00128 0.00751 57 3S 0.00348 -0.00021 0.00143 0.00107 -0.00611 58 3PX -0.00983 0.00286 -0.00085 -0.00047 0.00122 59 3PY -0.00403 -0.00012 -0.00096 -0.00006 0.00302 60 3PZ -0.02806 0.00127 -0.00088 -0.00188 0.00405 61 4XX 0.00468 0.00010 0.00005 -0.00004 0.00036 62 4YY -0.00048 -0.00016 -0.00006 -0.00025 0.00013 63 4ZZ -0.00323 0.00000 0.00001 0.00015 -0.00015 64 4XY -0.00134 0.00022 -0.00029 0.00018 0.00008 65 4XZ 0.00196 0.00001 -0.00021 -0.00002 0.00009 66 4YZ -0.00002 -0.00009 0.00022 -0.00017 -0.00031 67 8 H 1S 0.00052 -0.00040 -0.00129 -0.00074 0.00159 68 2S -0.00120 -0.00029 -0.00121 -0.00173 0.00224 69 9 C 1S 0.00461 0.00005 -0.00022 -0.00037 -0.00004 70 2S -0.01235 -0.00012 0.00042 0.00057 0.00034 71 2PX -0.00414 -0.00037 -0.00061 0.00080 -0.00021 72 2PY -0.00356 0.00090 -0.00187 0.00044 -0.00037 73 2PZ 0.04076 -0.00046 0.00048 -0.00075 -0.00148 74 3S -0.01093 -0.00131 0.00204 0.00174 -0.00005 75 3PX -0.00187 -0.00050 0.00006 0.00034 -0.00004 76 3PY -0.00531 0.00099 -0.00212 0.00059 -0.00040 77 3PZ 0.02188 -0.00037 0.00055 -0.00067 -0.00152 78 4XX 0.00127 0.00006 0.00001 -0.00005 0.00002 79 4YY -0.00157 0.00003 -0.00009 0.00000 0.00010 80 4ZZ 0.00055 -0.00003 0.00003 0.00004 -0.00020 81 4XY 0.00067 0.00002 -0.00001 -0.00009 0.00008 82 4XZ 0.00105 -0.00008 -0.00005 0.00005 -0.00009 83 4YZ 0.00143 0.00004 -0.00008 0.00019 -0.00027 84 10 H 1S 0.01715 -0.00044 -0.00031 0.00065 -0.00137 85 2S 0.02719 -0.00034 -0.00067 0.00068 -0.00145 86 11 H 1S 0.00156 0.00054 0.00014 -0.00007 -0.00021 87 2S -0.00397 0.00084 0.00001 -0.00013 -0.00003 88 12 C 1S 0.00916 -0.00043 0.00075 -0.00151 0.00087 89 2S -0.01796 0.00034 -0.00153 0.00288 -0.00183 90 2PX -0.02729 0.00013 -0.00128 0.00379 -0.00115 91 2PY 0.00247 -0.00023 0.00121 -0.00200 0.00248 92 2PZ -0.00544 -0.00106 0.00370 -0.00715 0.00424 93 3S -0.04069 0.00231 -0.00399 0.00338 -0.00243 94 3PX -0.01033 -0.00008 -0.00061 0.00175 -0.00046 95 3PY 0.01120 -0.00015 -0.00005 -0.00090 0.00187 96 3PZ -0.00608 -0.00003 0.00168 -0.00436 0.00299 97 4XX 0.00258 -0.00017 0.00007 -0.00014 0.00008 98 4YY -0.00048 -0.00016 0.00035 -0.00005 0.00001 99 4ZZ -0.00163 0.00036 -0.00034 0.00003 0.00009 100 4XY 0.00027 0.00003 -0.00002 -0.00014 0.00001 101 4XZ -0.00481 0.00028 0.00009 -0.00019 -0.00002 102 4YZ 0.00150 -0.00006 0.00012 0.00018 -0.00008 103 13 H 1S 0.01762 -0.00084 0.00034 -0.00159 0.00033 104 2S 0.04021 -0.00259 0.00083 -0.00109 0.00077 105 14 H 1S -0.02965 0.00091 -0.00021 -0.00072 0.00055 106 2S -0.02333 0.00176 -0.00024 -0.00163 0.00130 107 15 C 1S -0.00439 -0.00075 0.00017 -0.00029 -0.00024 108 2S 0.00770 0.00111 -0.00047 0.00015 0.00056 109 2PX 0.02035 0.00709 -0.00345 -0.00342 0.00303 110 2PY -0.01508 -0.00107 0.00086 -0.00003 -0.00035 111 2PZ -0.00313 0.00564 -0.00175 -0.00310 0.00278 112 3S 0.03294 0.00255 -0.00246 0.00025 0.00121 113 3PX 0.00569 0.00454 -0.00217 -0.00243 0.00255 114 3PY -0.01520 -0.00097 -0.00022 0.00100 -0.00149 115 3PZ 0.00889 0.00404 -0.00157 -0.00162 0.00155 116 4XX -0.00487 0.00029 -0.00015 -0.00028 0.00010 117 4YY 0.00194 -0.00010 0.00011 0.00002 0.00000 118 4ZZ 0.00117 -0.00015 0.00007 0.00021 -0.00012 119 4XY 0.00268 -0.00006 -0.00003 0.00003 -0.00007 120 4XZ -0.00114 0.00029 -0.00016 -0.00017 0.00011 121 4YZ 0.00390 0.00000 -0.00008 0.00003 -0.00002 122 16 H 1S 0.02148 -0.00106 -0.00003 0.00133 -0.00069 123 2S 0.01456 -0.00189 0.00040 0.00199 -0.00194 124 17 C 1S -0.00705 -0.00026 -0.00007 -0.00015 -0.00016 125 2S 0.01762 0.00026 0.00010 0.00022 0.00047 126 2PX 0.04687 0.00165 -0.00083 -0.00070 0.00005 127 2PY 0.01205 0.00117 -0.00088 -0.00024 0.00087 128 2PZ 0.04310 0.00052 -0.00015 -0.00057 -0.00071 129 3S 0.03788 0.00051 0.00093 -0.00096 0.00221 130 3PX 0.03653 0.00035 -0.00020 0.00005 -0.00072 131 3PY 0.02156 0.00048 -0.00101 0.00015 0.00041 132 3PZ 0.03656 0.00039 -0.00032 -0.00046 0.00079 133 4XX 0.00029 -0.00007 0.00006 -0.00002 -0.00029 134 4YY -0.00004 0.00004 -0.00003 -0.00001 0.00013 135 4ZZ -0.00090 -0.00004 -0.00002 0.00007 0.00008 136 4XY -0.00035 -0.00032 0.00014 0.00017 -0.00015 137 4XZ 0.00052 -0.00006 0.00002 0.00004 -0.00013 138 4YZ -0.00089 -0.00033 0.00013 0.00016 -0.00022 139 18 H 1S -0.00218 0.00109 -0.00057 -0.00013 0.00142 140 2S -0.01783 0.00137 -0.00071 -0.00027 0.00158 141 19 O 1S 0.00200 0.00022 -0.00008 -0.00013 0.00004 142 2S -0.00355 -0.00047 0.00020 0.00050 -0.00010 143 2PX 0.00862 -0.00330 0.00213 0.00293 -0.00182 144 2PY -0.01446 0.00011 0.00037 0.00045 -0.00005 145 2PZ 0.02399 -0.00194 0.00122 0.00256 -0.00135 146 3S -0.02018 -0.00092 0.00033 0.00020 -0.00029 147 3PX 0.00234 -0.00284 0.00171 0.00220 -0.00161 148 3PY -0.01123 0.00005 0.00032 0.00024 0.00005 149 3PZ 0.01923 -0.00217 0.00126 0.00235 -0.00130 150 4XX 0.00149 0.00019 -0.00007 -0.00004 0.00010 151 4YY 0.00018 0.00001 0.00003 0.00003 0.00003 152 4ZZ 0.00089 -0.00011 0.00000 0.00006 -0.00006 153 4XY 0.00005 -0.00012 0.00008 0.00010 -0.00006 154 4XZ 0.00025 0.00005 -0.00001 -0.00004 0.00002 155 4YZ 0.00178 0.00000 -0.00001 0.00008 -0.00002 156 20 O 1S 0.00089 -0.00001 -0.00004 -0.00001 0.00015 157 2S 0.00040 0.00014 0.00002 -0.00013 -0.00016 158 2PX -0.02843 -0.00055 0.00054 0.00076 0.00013 159 2PY -0.01236 -0.00006 0.00028 0.00033 -0.00009 160 2PZ -0.02856 -0.00080 0.00036 0.00076 0.00041 161 3S -0.01346 -0.00044 0.00028 0.00054 -0.00179 162 3PX -0.02807 -0.00051 0.00043 0.00061 -0.00022 163 3PY -0.00866 0.00005 0.00023 0.00007 0.00013 164 3PZ -0.02361 -0.00058 0.00026 0.00055 0.00061 165 4XX 0.00208 0.00003 -0.00002 -0.00001 0.00006 166 4YY 0.00111 0.00003 -0.00002 -0.00005 0.00008 167 4ZZ -0.00084 0.00008 -0.00003 -0.00004 0.00008 168 4XY 0.00089 0.00004 -0.00004 -0.00003 0.00002 169 4XZ 0.00009 -0.00001 0.00000 0.00000 0.00000 170 4YZ 0.00038 -0.00004 0.00003 0.00000 -0.00006 171 21 C 1S -0.00010 -0.00015 -0.00002 -0.00006 -0.00009 172 2S 0.00235 0.00038 -0.00018 0.00000 0.00022 173 2PX 0.00129 0.00047 -0.00037 -0.00026 0.00020 174 2PY 0.00647 -0.00041 -0.00002 -0.00020 0.00000 175 2PZ -0.00884 -0.00022 0.00007 0.00005 -0.00030 176 3S 0.00283 0.00050 -0.00020 -0.00018 0.00025 177 3PX 0.00158 -0.00004 0.00005 -0.00008 0.00009 178 3PY -0.00050 -0.00017 0.00008 0.00003 0.00002 179 3PZ -0.00698 -0.00069 0.00032 0.00070 -0.00040 180 4XX -0.00029 -0.00015 0.00011 0.00015 -0.00005 181 4YY 0.00048 0.00005 -0.00004 -0.00002 0.00002 182 4ZZ -0.00027 0.00009 -0.00006 -0.00011 0.00002 183 4XY -0.00075 0.00007 -0.00005 -0.00009 0.00006 184 4XZ 0.00045 -0.00001 0.00000 0.00002 0.00001 185 4YZ -0.00247 0.00010 -0.00004 -0.00005 0.00007 186 22 H 1S -0.00089 -0.00060 0.00045 0.00057 -0.00019 187 2S -0.00509 -0.00128 0.00082 0.00101 -0.00050 188 23 H 1S -0.00210 0.00037 -0.00022 -0.00044 0.00008 189 2S 0.00189 0.00102 -0.00054 -0.00122 0.00036 31 32 33 34 35 31 4XZ 0.00070 32 4YZ -0.00026 0.00115 33 4 H 1S -0.00846 0.01053 0.21682 34 2S -0.00615 0.01027 0.17849 0.17042 35 5 C 1S -0.00063 0.00018 0.01233 0.01533 2.05281 36 2S 0.00155 0.00008 -0.02542 -0.02619 -0.06115 37 2PX 0.00074 0.00023 -0.01705 -0.03433 -0.00067 38 2PY -0.00314 -0.00016 0.04221 0.08479 -0.00016 39 2PZ -0.00041 0.01359 0.01383 0.03897 0.00043 40 3S 0.00362 -0.00411 -0.06008 -0.06802 -0.16361 41 3PX 0.00035 0.00453 0.00552 0.00750 -0.00326 42 3PY -0.00183 0.00151 0.01938 0.03689 -0.00301 43 3PZ -0.00009 0.00598 -0.00273 0.00210 0.00460 44 4XX 0.00000 -0.00020 0.00075 0.00170 -0.01469 45 4YY -0.00024 0.00008 0.00190 -0.00138 -0.01702 46 4ZZ -0.00004 0.00000 0.00084 0.00183 -0.01550 47 4XY 0.00008 -0.00057 -0.00559 -0.00598 -0.00121 48 4XZ 0.00004 0.00010 0.00008 -0.00041 0.00467 49 4YZ -0.00010 0.00072 0.00683 0.00742 0.00186 50 6 H 1S 0.00009 -0.00683 -0.02224 -0.02621 -0.06071 51 2S -0.00040 -0.00742 -0.02621 -0.03351 -0.01402 52 7 C 1S 0.00011 -0.00115 -0.00749 -0.01275 0.01789 53 2S -0.00017 0.00232 0.01694 0.02440 -0.03359 54 2PX -0.00170 0.01012 0.03028 0.06256 -0.05543 55 2PY -0.00007 -0.00206 -0.01412 -0.02915 0.03739 56 2PZ 0.00064 0.00060 -0.01522 -0.03377 0.04326 57 3S -0.00055 0.00394 0.04206 0.05065 -0.00871 58 3PX -0.00128 0.00658 0.02593 0.04155 -0.01081 59 3PY 0.00019 -0.00120 -0.00637 -0.01568 0.00883 60 3PZ 0.00058 0.00139 -0.01485 -0.01948 0.00483 61 4XX 0.00002 0.00032 0.00043 0.00111 -0.00185 62 4YY 0.00009 -0.00010 -0.00257 -0.00382 0.00157 63 4ZZ 0.00001 -0.00047 0.00005 -0.00042 0.00015 64 4XY -0.00005 -0.00023 0.00096 0.00056 0.00328 65 4XZ 0.00004 0.00000 -0.00024 -0.00106 0.00426 66 4YZ 0.00004 0.00002 -0.00056 -0.00006 -0.00304 67 8 H 1S 0.00027 -0.00095 -0.00965 -0.01855 0.01191 68 2S 0.00049 -0.00046 -0.01979 -0.02647 0.01299 69 9 C 1S -0.00011 0.00025 -0.00079 -0.00011 -0.00300 70 2S 0.00023 -0.00077 0.00112 -0.00107 0.00630 71 2PX -0.00007 -0.00113 -0.00022 -0.00400 0.00821 72 2PY -0.00072 -0.00087 -0.00117 -0.00090 0.00156 73 2PZ -0.00007 0.00026 -0.00254 0.00657 -0.01169 74 3S 0.00077 -0.00318 0.00319 -0.00159 0.00719 75 3PX 0.00016 -0.00059 -0.00141 -0.00407 0.00448 76 3PY -0.00102 -0.00073 0.00077 0.00134 0.00383 77 3PZ 0.00002 0.00044 -0.00106 0.00477 -0.00786 78 4XX -0.00003 0.00019 0.00043 0.00114 -0.00121 79 4YY -0.00001 -0.00001 -0.00012 -0.00042 0.00061 80 4ZZ 0.00001 -0.00010 0.00021 0.00009 -0.00030 81 4XY 0.00002 0.00000 -0.00015 -0.00064 0.00020 82 4XZ 0.00004 -0.00036 -0.00059 -0.00126 0.00130 83 4YZ -0.00019 0.00005 0.00111 0.00261 -0.00048 84 10 H 1S -0.00029 -0.00142 -0.00048 0.00121 0.00169 85 2S -0.00047 -0.00125 0.00040 0.00205 0.00163 86 11 H 1S -0.00034 0.00121 0.00338 0.01026 -0.00763 87 2S -0.00057 0.00300 0.00713 0.01758 -0.01107 88 12 C 1S 0.00071 -0.00020 -0.00687 -0.00863 -0.00257 89 2S -0.00155 0.00059 0.01513 0.02059 0.00458 90 2PX -0.00124 -0.00009 0.01000 0.02463 0.00190 91 2PY 0.00119 0.00027 -0.01080 -0.01637 0.00372 92 2PZ 0.00609 -0.00039 -0.03280 -0.06471 -0.00739 93 3S -0.00263 0.00290 0.04075 0.04801 0.01322 94 3PX -0.00052 -0.00004 0.00350 0.01054 0.00114 95 3PY 0.00024 -0.00020 -0.01162 -0.01451 0.00337 96 3PZ 0.00300 -0.00074 -0.02868 -0.04380 -0.00484 97 4XX 0.00013 -0.00011 -0.00124 -0.00279 -0.00032 98 4YY 0.00018 -0.00009 0.00002 -0.00024 -0.00014 99 4ZZ -0.00023 0.00004 -0.00009 0.00105 0.00031 100 4XY 0.00004 0.00002 -0.00036 -0.00087 0.00008 101 4XZ 0.00025 0.00032 0.00153 0.00195 -0.00016 102 4YZ -0.00012 -0.00006 0.00076 0.00189 -0.00024 103 13 H 1S 0.00071 -0.00078 -0.00882 -0.02251 -0.00055 104 2S 0.00077 -0.00269 -0.02194 -0.03844 -0.00082 105 14 H 1S 0.00140 0.00080 -0.00047 -0.00399 -0.00115 106 2S 0.00157 0.00161 -0.00035 -0.00265 -0.00181 107 15 C 1S -0.00045 -0.00083 -0.00034 -0.00222 -0.00121 108 2S 0.00114 0.00127 0.00040 0.00164 0.00129 109 2PX 0.00059 0.00509 0.00756 0.02106 0.00529 110 2PY -0.00017 -0.00133 -0.00083 -0.00701 0.00060 111 2PZ -0.00062 0.00437 0.01010 0.01367 0.00285 112 3S 0.00040 0.00315 0.00525 0.01392 0.00734 113 3PX 0.00059 0.00334 0.00206 0.00774 0.00222 114 3PY -0.00078 -0.00135 0.00346 0.00060 0.00212 115 3PZ -0.00044 0.00421 0.01568 0.02345 0.00397 116 4XX -0.00012 0.00009 0.00007 -0.00017 -0.00019 117 4YY 0.00007 -0.00002 0.00001 0.00004 -0.00003 118 4ZZ -0.00003 -0.00005 0.00025 0.00048 -0.00034 119 4XY -0.00003 -0.00003 0.00012 -0.00029 0.00008 120 4XZ -0.00004 0.00013 -0.00008 0.00075 0.00023 121 4YZ 0.00008 0.00003 -0.00016 0.00007 0.00024 122 16 H 1S 0.00089 -0.00039 -0.00184 0.00093 0.00030 123 2S 0.00025 -0.00107 0.00543 0.00666 0.00056 124 17 C 1S -0.00019 -0.00013 -0.00030 0.00031 -0.00247 125 2S 0.00028 0.00029 0.00056 -0.00025 0.00406 126 2PX 0.00097 0.00034 0.00191 -0.00125 0.00643 127 2PY -0.00046 0.00120 0.00091 0.00428 0.00208 128 2PZ 0.00033 -0.00031 0.00189 0.00150 0.00276 129 3S 0.00136 0.00108 -0.00209 -0.00602 0.00564 130 3PX 0.00043 0.00008 0.00391 0.00369 0.00797 131 3PY -0.00034 0.00099 0.00240 0.00362 0.00434 132 3PZ 0.00056 -0.00042 -0.00308 -0.00689 0.00218 133 4XX -0.00003 -0.00020 0.00003 0.00034 -0.00108 134 4YY 0.00004 0.00006 -0.00020 -0.00051 0.00005 135 4ZZ -0.00005 0.00001 -0.00010 -0.00019 -0.00020 136 4XY 0.00000 -0.00031 -0.00054 -0.00129 0.00014 137 4XZ 0.00003 -0.00013 -0.00001 -0.00042 0.00051 138 4YZ 0.00001 -0.00034 -0.00061 -0.00104 -0.00042 139 18 H 1S -0.00012 0.00138 0.00080 0.00200 0.00195 140 2S -0.00021 0.00097 -0.00054 0.00026 0.00053 141 19 O 1S 0.00008 0.00026 0.00024 0.00191 0.00007 142 2S -0.00009 -0.00043 0.00002 -0.00376 0.00022 143 2PX -0.00038 -0.00284 -0.00441 -0.01270 -0.00257 144 2PY 0.00050 0.00038 -0.00049 -0.00301 -0.00134 145 2PZ 0.00024 -0.00247 -0.00586 -0.00492 -0.00130 146 3S -0.00009 -0.00175 -0.00454 -0.01267 -0.00155 147 3PX -0.00014 -0.00270 -0.00541 -0.01234 -0.00267 148 3PY 0.00039 0.00017 -0.00130 -0.00351 -0.00133 149 3PZ 0.00010 -0.00218 -0.00405 -0.00433 -0.00124 150 4XX 0.00000 0.00019 0.00036 0.00082 0.00020 151 4YY 0.00002 0.00004 -0.00004 0.00000 0.00010 152 4ZZ -0.00002 -0.00009 -0.00013 -0.00012 0.00020 153 4XY -0.00001 -0.00010 -0.00021 -0.00069 -0.00008 154 4XZ -0.00003 0.00003 0.00015 0.00027 0.00000 155 4YZ 0.00000 -0.00002 0.00002 0.00027 0.00005 156 20 O 1S 0.00005 0.00001 -0.00015 -0.00104 0.00052 157 2S -0.00009 0.00012 0.00015 0.00263 -0.00189 158 2PX -0.00057 0.00042 -0.00083 0.00145 -0.00395 159 2PY 0.00037 -0.00014 -0.00005 -0.00520 -0.00091 160 2PZ 0.00006 -0.00012 -0.00272 -0.00705 -0.00008 161 3S -0.00028 -0.00064 0.00296 0.00655 -0.00039 162 3PX -0.00049 0.00019 0.00003 0.00194 -0.00274 163 3PY 0.00034 -0.00002 -0.00046 -0.00418 -0.00105 164 3PZ -0.00004 0.00006 -0.00220 -0.00521 -0.00115 165 4XX 0.00002 0.00003 -0.00008 -0.00026 0.00002 166 4YY 0.00000 0.00005 -0.00016 0.00006 -0.00031 167 4ZZ -0.00001 0.00009 0.00005 0.00021 -0.00038 168 4XY 0.00002 -0.00002 -0.00012 -0.00024 0.00007 169 4XZ 0.00001 -0.00002 -0.00005 -0.00016 -0.00014 170 4YZ -0.00001 -0.00006 -0.00001 0.00006 0.00002 171 21 C 1S -0.00010 -0.00010 0.00004 -0.00022 -0.00041 172 2S 0.00013 0.00032 0.00037 0.00171 0.00096 173 2PX 0.00030 0.00046 -0.00001 0.00242 0.00107 174 2PY -0.00033 -0.00039 -0.00032 -0.00175 0.00163 175 2PZ -0.00018 -0.00025 0.00137 0.00097 0.00023 176 3S 0.00025 0.00045 -0.00012 0.00158 0.00170 177 3PX 0.00015 0.00010 -0.00160 -0.00109 -0.00050 178 3PY -0.00011 -0.00014 0.00012 -0.00132 0.00065 179 3PZ -0.00019 -0.00055 0.00007 -0.00066 -0.00063 180 4XX -0.00004 -0.00009 -0.00018 -0.00047 -0.00026 181 4YY 0.00004 0.00001 -0.00003 0.00007 0.00015 182 4ZZ -0.00001 0.00008 0.00036 0.00052 0.00006 183 4XY -0.00003 0.00010 0.00020 0.00055 0.00001 184 4XZ -0.00001 0.00000 -0.00001 -0.00006 0.00001 185 4YZ 0.00001 0.00014 0.00022 0.00023 -0.00009 186 22 H 1S -0.00017 -0.00046 -0.00109 -0.00269 -0.00114 187 2S -0.00026 -0.00099 -0.00264 -0.00526 -0.00252 188 23 H 1S -0.00002 0.00032 0.00144 0.00213 0.00060 189 2S 0.00002 0.00077 0.00222 0.00310 0.00073 36 37 38 39 40 36 2S 0.32266 37 2PX -0.00484 0.37618 38 2PY -0.00179 0.00120 0.41170 39 2PZ 0.00531 -0.02998 0.00110 0.38736 40 3S 0.24866 0.02212 -0.00968 -0.03214 0.25659 41 3PX 0.01738 0.17601 0.00818 0.07818 0.00070 42 3PY 0.01631 0.00844 0.13862 0.02025 -0.00375 43 3PZ -0.01539 0.07000 0.00482 0.17791 -0.01303 44 4XX -0.00848 -0.00596 0.00664 -0.00359 -0.00534 45 4YY -0.00296 0.00395 -0.01230 -0.00062 -0.00284 46 4ZZ -0.00632 0.00560 0.00920 -0.00127 -0.00293 47 4XY 0.00186 0.00522 -0.00012 -0.01186 0.00410 48 4XZ -0.00968 -0.00105 -0.00950 0.00187 -0.00849 49 4YZ -0.00315 -0.01100 -0.00155 0.00881 -0.00630 50 6 H 1S 0.11256 0.14360 0.13213 -0.17753 0.11844 51 2S 0.02576 0.13440 0.11909 -0.16936 0.05629 52 7 C 1S -0.03601 0.05883 -0.03611 -0.04279 0.01598 53 2S 0.06180 -0.11739 0.07620 0.08493 0.01392 54 2PX 0.11788 -0.02470 0.13314 0.23258 0.05880 55 2PY -0.07133 0.12975 -0.04764 -0.06092 -0.10043 56 2PZ -0.08951 0.19781 -0.08072 -0.01802 -0.03819 57 3S 0.03307 -0.13954 0.04839 0.08656 -0.03629 58 3PX 0.03269 0.02685 0.05912 0.12145 -0.00298 59 3PY -0.02404 0.05557 -0.00099 -0.01975 -0.01574 60 3PZ -0.01279 0.08431 -0.03396 0.02274 0.00460 61 4XX 0.00294 0.01066 0.00491 0.00687 0.00413 62 4YY -0.00332 0.00172 -0.01210 -0.00131 -0.00596 63 4ZZ -0.00112 -0.00203 0.00119 -0.01315 0.00238 64 4XY -0.00655 0.00342 0.00308 -0.00812 -0.00373 65 4XZ -0.00793 0.00374 -0.00650 -0.00040 -0.00648 66 4YZ 0.00598 -0.00839 -0.00169 0.00159 0.00420 67 8 H 1S -0.02362 0.02307 -0.03644 -0.01350 -0.06220 68 2S -0.02258 0.04380 -0.07224 -0.00916 -0.05662 69 9 C 1S 0.00560 -0.00464 0.00163 0.01211 0.00530 70 2S -0.01496 0.01225 -0.00612 -0.03004 -0.00812 71 2PX -0.02138 0.00171 -0.01051 -0.03104 -0.02616 72 2PY -0.00388 0.00263 0.00398 -0.00720 0.00987 73 2PZ 0.03072 -0.04495 0.00702 0.02368 -0.00231 74 3S -0.01552 0.00301 0.01221 -0.07677 0.01488 75 3PX -0.00887 0.00097 -0.00720 -0.01252 -0.00588 76 3PY -0.00835 0.00364 0.00411 -0.02188 -0.01042 77 3PZ 0.01809 -0.04039 -0.00941 0.01987 -0.00918 78 4XX 0.00244 0.00006 0.00208 0.00510 0.00178 79 4YY -0.00140 0.00259 -0.00167 -0.00212 -0.00262 80 4ZZ 0.00014 -0.00511 0.00111 -0.00087 0.00043 81 4XY -0.00065 0.00119 0.00022 0.00022 -0.00112 82 4XZ -0.00289 -0.00043 -0.00295 -0.00896 -0.00249 83 4YZ 0.00129 -0.00368 0.00170 0.00027 -0.00106 84 10 H 1S -0.00354 -0.02397 -0.00267 -0.02742 -0.01509 85 2S -0.00425 -0.01983 0.00096 -0.02212 -0.01586 86 11 H 1S 0.01920 -0.00657 0.01489 0.03093 0.01804 87 2S 0.02878 -0.00422 0.02115 0.07119 0.02602 88 12 C 1S 0.00476 0.00007 -0.00368 0.00691 0.01064 89 2S -0.00827 -0.00433 0.00674 -0.01713 -0.02111 90 2PX -0.00428 -0.00988 0.00741 -0.01203 -0.01034 91 2PY -0.00821 0.02702 -0.01148 -0.00324 -0.01836 92 2PZ 0.01106 0.01632 -0.02286 0.02531 0.07925 93 3S -0.02238 0.01056 0.02936 -0.01864 -0.05519 94 3PX -0.00178 -0.00280 0.00154 -0.00389 -0.00628 95 3PY -0.00706 0.02427 -0.00836 0.00269 -0.01616 96 3PZ 0.00681 0.01219 -0.02356 0.01110 0.03889 97 4XX 0.00038 0.00046 0.00009 0.00093 0.00339 98 4YY 0.00031 -0.00078 -0.00193 -0.00189 0.00114 99 4ZZ -0.00054 0.00010 0.00206 0.00072 -0.00281 100 4XY -0.00038 0.00044 -0.00106 -0.00046 -0.00081 101 4XZ 0.00034 0.00092 -0.00084 0.00058 0.00035 102 4YZ 0.00092 -0.00142 0.00008 -0.00001 -0.00125 103 13 H 1S 0.00017 0.00015 -0.00254 0.00079 0.01826 104 2S -0.00032 -0.00250 -0.00695 -0.00616 0.02670 105 14 H 1S 0.00107 0.00302 0.00057 0.00693 0.02282 106 2S 0.00204 0.01672 0.00440 0.02170 0.02057 107 15 C 1S 0.00225 -0.01345 -0.00314 -0.00938 0.00421 108 2S -0.00316 0.02801 0.00530 0.02130 0.00146 109 2PX -0.01226 0.08192 0.01661 0.06108 -0.04818 110 2PY -0.00089 -0.00695 -0.00305 -0.01113 0.00384 111 2PZ -0.00691 0.06452 0.01090 0.04865 -0.02724 112 3S -0.01230 0.06713 0.01405 0.04965 -0.02776 113 3PX -0.00902 0.06089 0.01038 0.04043 -0.02077 114 3PY -0.00248 -0.03106 -0.00142 -0.02719 0.00005 115 3PZ -0.00410 0.05271 0.01627 0.05178 -0.03125 116 4XX 0.00018 -0.00161 0.00005 -0.00079 -0.00085 117 4YY 0.00017 0.00101 -0.00026 0.00091 -0.00061 118 4ZZ 0.00050 -0.00149 0.00004 -0.00061 0.00140 119 4XY -0.00078 0.00070 -0.00030 -0.00060 0.00014 120 4XZ -0.00033 0.00178 0.00061 0.00130 -0.00303 121 4YZ -0.00067 0.00187 0.00041 0.00059 -0.00105 122 16 H 1S -0.00027 -0.00341 0.00131 -0.00179 0.00440 123 2S 0.00036 -0.02842 0.00218 -0.01953 0.00371 124 17 C 1S 0.00390 -0.01077 0.00027 -0.00437 0.01010 125 2S -0.00798 0.02540 -0.00107 0.01093 -0.02310 126 2PX -0.02262 0.02887 0.00088 0.00096 0.00195 127 2PY -0.00526 0.01533 -0.00125 0.00987 -0.01381 128 2PZ -0.00599 0.00687 0.00233 -0.01185 -0.01925 129 3S -0.01488 0.06311 -0.00058 0.03623 -0.00906 130 3PX -0.01053 0.00784 0.00183 -0.00069 -0.00675 131 3PY -0.00910 0.02287 -0.00275 0.01585 -0.01457 132 3PZ -0.01290 0.03186 0.00395 -0.00702 -0.00457 133 4XX 0.00173 -0.00805 0.00030 -0.00437 -0.00151 134 4YY -0.00074 0.00339 -0.00025 0.00153 0.00115 135 4ZZ -0.00025 0.00147 -0.00029 0.00026 0.00142 136 4XY -0.00029 -0.00409 -0.00084 -0.00401 0.00160 137 4XZ -0.00110 -0.00235 -0.00044 -0.00208 0.00121 138 4YZ 0.00067 -0.00565 -0.00084 -0.00502 0.00210 139 18 H 1S -0.00599 0.03032 0.00076 0.02250 -0.00675 140 2S -0.00296 0.02554 0.00555 0.00804 0.00145 141 19 O 1S 0.00040 0.00321 0.00044 0.00289 -0.00680 142 2S -0.00139 -0.00582 -0.00008 -0.00443 0.01604 143 2PX 0.00625 -0.04653 -0.00750 -0.03392 0.03361 144 2PY -0.00019 -0.00320 -0.00220 -0.00071 0.02511 145 2PZ 0.00361 -0.03071 -0.00290 -0.02132 0.01777 146 3S -0.00179 -0.02324 -0.00514 -0.02646 0.02762 147 3PX 0.00525 -0.04323 -0.00919 -0.03502 0.02828 148 3PY 0.00033 -0.00294 -0.00126 -0.00078 0.02022 149 3PZ 0.00379 -0.02749 -0.00259 -0.01865 0.01700 150 4XX -0.00021 0.00302 0.00081 0.00285 -0.00092 151 4YY -0.00004 0.00051 0.00014 0.00092 0.00042 152 4ZZ -0.00016 -0.00121 0.00023 -0.00083 -0.00047 153 4XY 0.00015 -0.00130 -0.00021 -0.00124 0.00143 154 4XZ 0.00000 0.00049 0.00007 0.00042 -0.00074 155 4YZ -0.00012 0.00006 0.00018 0.00001 -0.00016 156 20 O 1S -0.00202 0.00348 -0.00093 0.00061 0.00047 157 2S 0.00462 -0.00390 0.00300 0.00149 -0.00838 158 2PX 0.01584 -0.00883 0.00282 0.00939 0.01496 159 2PY -0.00375 0.00008 0.00134 0.00070 0.05041 160 2PZ 0.00013 0.00216 -0.00147 0.00864 0.05319 161 3S 0.01150 -0.03958 0.00331 -0.01485 0.00573 162 3PX 0.01328 -0.01517 -0.00003 0.00299 0.01428 163 3PY -0.00295 0.00386 0.00040 0.00129 0.03373 164 3PZ 0.00086 0.00654 -0.00071 0.00989 0.03711 165 4XX -0.00078 0.00221 0.00013 0.00087 0.00005 166 4YY 0.00001 0.00127 0.00017 0.00115 -0.00286 167 4ZZ 0.00005 0.00087 0.00064 0.00156 -0.00033 168 4XY -0.00077 0.00047 -0.00026 -0.00047 0.00000 169 4XZ -0.00012 0.00004 0.00000 -0.00025 0.00114 170 4YZ 0.00031 -0.00143 -0.00017 -0.00102 -0.00179 171 21 C 1S 0.00056 -0.00205 0.00099 -0.00039 0.00371 172 2S -0.00225 0.00628 -0.00078 0.00210 -0.00762 173 2PX -0.00265 0.00581 -0.00134 0.00229 -0.01488 174 2PY -0.00251 -0.00005 -0.00252 -0.00482 -0.01445 175 2PZ 0.00003 -0.00656 -0.00066 -0.00835 -0.00497 176 3S -0.00309 0.01022 -0.00742 0.00090 -0.00883 177 3PX 0.00093 0.00026 -0.00262 0.00254 -0.00098 178 3PY -0.00162 -0.00013 -0.00125 -0.00159 0.00168 179 3PZ 0.00159 -0.00952 -0.00083 -0.00780 0.00602 180 4XX 0.00081 -0.00170 0.00020 -0.00046 0.00254 181 4YY -0.00053 0.00084 0.00008 0.00035 0.00038 182 4ZZ -0.00027 0.00087 0.00010 0.00005 -0.00298 183 4XY 0.00032 0.00117 0.00028 0.00141 -0.00191 184 4XZ -0.00008 0.00033 0.00027 0.00043 0.00113 185 4YZ 0.00010 0.00136 0.00032 0.00176 0.00211 186 22 H 1S 0.00323 -0.00734 0.00013 -0.00203 0.01393 187 2S 0.00657 -0.01860 -0.00028 -0.00619 0.02353 188 23 H 1S -0.00123 0.00329 -0.00015 -0.00037 -0.01306 189 2S -0.00223 0.00885 0.00377 0.00543 -0.02038 41 42 43 44 45 41 3PX 0.11424 42 3PY 0.01397 0.06130 43 3PZ 0.07215 0.01163 0.10690 44 4XX -0.00360 0.00030 -0.00245 0.00089 45 4YY 0.00132 -0.00283 0.00071 -0.00026 0.00109 46 4ZZ 0.00168 0.00273 0.00091 0.00023 -0.00013 47 4XY -0.00105 0.00035 -0.00384 -0.00017 0.00001 48 4XZ -0.00039 -0.00284 0.00095 0.00003 0.00046 49 4YZ -0.00273 0.00068 0.00135 -0.00009 0.00013 50 6 H 1S 0.03331 0.04142 -0.05509 -0.00081 -0.00371 51 2S 0.02188 0.02828 -0.04605 0.00146 -0.00331 52 7 C 1S 0.00363 -0.00584 0.00602 -0.00148 0.00126 53 2S -0.02779 0.00943 0.00697 0.00241 -0.00339 54 2PX 0.04688 0.08913 0.09715 -0.00836 -0.00196 55 2PY 0.05570 0.00795 -0.00443 -0.00444 0.01301 56 2PZ 0.06965 -0.03351 0.03895 -0.00521 0.00262 57 3S -0.02661 -0.00315 -0.00409 0.00431 -0.00309 58 3PX 0.04585 0.04755 0.05842 -0.00529 0.00044 59 3PY 0.01744 0.00518 0.00579 -0.00215 0.00425 60 3PZ 0.03440 -0.00168 0.03248 -0.00486 0.00205 61 4XX 0.00713 0.00295 0.00631 -0.00012 -0.00020 62 4YY 0.00101 -0.00322 -0.00070 -0.00029 0.00092 63 4ZZ -0.00480 -0.00096 -0.00673 0.00026 -0.00037 64 4XY -0.00048 -0.00001 -0.00249 0.00035 -0.00017 65 4XZ 0.00183 -0.00309 0.00092 0.00016 0.00025 66 4YZ -0.00311 0.00026 -0.00117 0.00002 -0.00004 67 8 H 1S 0.01726 -0.00541 -0.00750 -0.00163 0.00782 68 2S 0.02678 -0.00843 -0.00034 -0.00336 0.00863 69 9 C 1S -0.00017 0.00382 0.00917 -0.00043 0.00075 70 2S -0.00286 -0.00835 -0.01797 0.00034 -0.00153 71 2PX -0.00633 -0.02654 -0.02730 0.00013 -0.00128 72 2PY -0.00896 0.00608 -0.00247 0.00023 -0.00122 73 2PZ -0.00252 0.03111 -0.00542 -0.00106 0.00370 74 3S -0.02179 -0.01662 -0.04069 0.00231 -0.00399 75 3PX -0.00424 -0.01380 -0.01034 -0.00008 -0.00061 76 3PY -0.00546 0.00612 -0.01121 0.00015 0.00005 77 3PZ -0.00447 0.00846 -0.00609 -0.00003 0.00168 78 4XX 0.00129 0.00286 0.00258 -0.00017 0.00007 79 4YY 0.00108 -0.00003 -0.00047 -0.00016 0.00035 80 4ZZ -0.00257 -0.00170 -0.00163 0.00036 -0.00034 81 4XY 0.00076 -0.00091 -0.00027 -0.00003 0.00001 82 4XZ -0.00172 -0.00211 -0.00482 0.00028 0.00009 83 4YZ -0.00098 0.00183 -0.00150 0.00006 -0.00012 84 10 H 1S -0.01274 -0.00279 -0.02965 0.00091 -0.00021 85 2S -0.00778 -0.00269 -0.02333 0.00176 -0.00024 86 11 H 1S 0.00336 0.02723 0.01763 -0.00084 0.00034 87 2S 0.01116 0.03698 0.04022 -0.00258 0.00082 88 12 C 1S 0.00080 -0.00347 0.00461 0.00005 -0.00022 89 2S -0.00312 0.00635 -0.01235 -0.00012 0.00042 90 2PX -0.00922 0.01593 -0.00414 -0.00037 -0.00061 91 2PY 0.01840 -0.00770 0.00355 -0.00090 0.00187 92 2PZ -0.00125 -0.02536 0.04075 -0.00046 0.00048 93 3S 0.00752 0.02596 -0.01092 -0.00131 0.00204 94 3PX -0.00306 0.00816 -0.00188 -0.00050 0.00006 95 3PY 0.01526 -0.00139 0.00530 -0.00099 0.00212 96 3PZ 0.00165 -0.01604 0.02189 -0.00037 0.00055 97 4XX -0.00055 -0.00108 0.00126 0.00006 0.00001 98 4YY -0.00065 -0.00177 -0.00157 0.00003 -0.00009 99 4ZZ 0.00070 0.00240 0.00055 -0.00003 0.00003 100 4XY 0.00028 -0.00118 -0.00067 -0.00002 0.00001 101 4XZ 0.00122 0.00038 0.00105 -0.00008 -0.00005 102 4YZ 0.00014 0.00087 -0.00143 -0.00004 0.00008 103 13 H 1S -0.00492 -0.01326 0.00155 0.00054 0.00014 104 2S -0.01264 -0.02034 -0.00399 0.00084 0.00001 105 14 H 1S -0.00289 0.00354 0.01715 -0.00044 -0.00031 106 2S 0.00987 0.00586 0.02719 -0.00034 -0.00067 107 15 C 1S -0.01005 -0.00361 -0.00705 -0.00026 -0.00007 108 2S 0.01760 0.00503 0.01762 0.00026 0.00010 109 2PX 0.08048 0.02187 0.04688 0.00165 -0.00083 110 2PY -0.00937 0.00215 -0.01206 -0.00117 0.00088 111 2PZ 0.05955 0.00929 0.04311 0.00052 -0.00015 112 3S 0.05177 0.01988 0.03787 0.00051 0.00093 113 3PX 0.05033 0.01284 0.03655 0.00035 -0.00020 114 3PY -0.02723 0.00280 -0.02157 -0.00048 0.00101 115 3PZ 0.05469 0.01452 0.03656 0.00039 -0.00032 116 4XX -0.00076 0.00037 0.00029 -0.00007 0.00006 117 4YY 0.00139 -0.00020 -0.00004 0.00004 -0.00003 118 4ZZ -0.00155 -0.00022 -0.00090 -0.00004 -0.00002 119 4XY 0.00058 -0.00129 0.00035 0.00032 -0.00014 120 4XZ 0.00236 0.00151 0.00052 -0.00006 0.00002 121 4YZ 0.00174 -0.00033 0.00089 0.00033 -0.00013 122 16 H 1S -0.00436 -0.00207 -0.00218 0.00109 -0.00057 123 2S -0.02074 -0.00448 -0.01783 0.00137 -0.00071 124 17 C 1S -0.01205 0.00300 -0.00439 -0.00075 0.00017 125 2S 0.02810 -0.00304 0.00770 0.00111 -0.00047 126 2PX 0.02418 -0.01868 0.02034 0.00709 -0.00345 127 2PY 0.01780 -0.00549 0.01509 0.00107 -0.00086 128 2PZ 0.01824 -0.00933 -0.00314 0.00564 -0.00175 129 3S 0.05222 -0.01646 0.03295 0.00255 -0.00246 130 3PX 0.01417 -0.01017 0.00568 0.00454 -0.00217 131 3PY 0.01937 -0.00092 0.01520 0.00097 0.00022 132 3PZ 0.02117 -0.01171 0.00890 0.00404 -0.00157 133 4XX -0.00382 -0.00110 -0.00487 0.00029 -0.00015 134 4YY 0.00123 0.00034 0.00194 -0.00010 0.00011 135 4ZZ -0.00005 0.00046 0.00116 -0.00015 0.00007 136 4XY -0.00390 -0.00159 -0.00268 0.00006 0.00003 137 4XZ -0.00223 -0.00157 -0.00114 0.00029 -0.00016 138 4YZ -0.00508 -0.00030 -0.00390 0.00000 0.00008 139 18 H 1S 0.02242 0.00117 0.02149 -0.00106 -0.00003 140 2S 0.01162 0.00588 0.01457 -0.00190 0.00040 141 19 O 1S 0.00439 0.00254 0.00089 -0.00001 -0.00004 142 2S -0.00922 -0.00652 0.00040 0.00014 0.00002 143 2PX -0.04758 -0.01538 -0.02843 -0.00055 0.00054 144 2PY -0.01525 -0.00647 0.01237 0.00006 -0.00028 145 2PZ -0.02882 -0.00150 -0.02856 -0.00080 0.00036 146 3S -0.02815 -0.00832 -0.01346 -0.00044 0.00028 147 3PX -0.04360 -0.01312 -0.02807 -0.00051 0.00044 148 3PY -0.01181 -0.00429 0.00867 -0.00005 -0.00023 149 3PZ -0.02612 -0.00304 -0.02361 -0.00058 0.00026 150 4XX 0.00276 0.00079 0.00208 0.00003 -0.00002 151 4YY 0.00014 -0.00029 0.00111 0.00003 -0.00002 152 4ZZ -0.00078 -0.00022 -0.00084 0.00008 -0.00003 153 4XY -0.00173 -0.00056 -0.00089 -0.00004 0.00004 154 4XZ 0.00072 0.00021 0.00009 -0.00001 0.00000 155 4YZ 0.00016 0.00000 -0.00038 0.00004 -0.00003 156 20 O 1S 0.00122 -0.00509 0.00200 0.00022 -0.00008 157 2S 0.00287 0.01131 -0.00354 -0.00047 0.00020 158 2PX -0.00656 0.02170 0.00864 -0.00330 0.00213 159 2PY -0.02109 0.00455 0.01446 -0.00011 -0.00038 160 2PZ -0.01869 0.01418 0.02401 -0.00194 0.00122 161 3S -0.02428 0.01792 -0.02017 -0.00092 0.00033 162 3PX -0.01212 0.01652 0.00235 -0.00284 0.00171 163 3PY -0.01198 0.00198 0.01123 -0.00005 -0.00032 164 3PZ -0.01073 0.01246 0.01925 -0.00217 0.00125 165 4XX 0.00167 -0.00037 0.00149 0.00019 -0.00007 166 4YY 0.00202 -0.00047 0.00018 0.00001 0.00003 167 4ZZ 0.00071 0.00026 0.00089 -0.00011 0.00000 168 4XY 0.00000 -0.00088 -0.00005 0.00012 -0.00008 169 4XZ -0.00050 -0.00015 0.00025 0.00005 -0.00001 170 4YZ -0.00033 -0.00047 -0.00178 0.00000 0.00001 171 21 C 1S -0.00285 0.00063 -0.00010 -0.00015 -0.00002 172 2S 0.00628 -0.00237 0.00235 0.00038 -0.00018 173 2PX 0.00771 -0.00547 0.00129 0.00047 -0.00037 174 2PY 0.00478 -0.00390 -0.00647 0.00041 0.00002 175 2PZ -0.00514 -0.00100 -0.00884 -0.00023 0.00007 176 3S 0.00885 -0.00509 0.00283 0.00050 -0.00020 177 3PX 0.00088 -0.00209 0.00158 -0.00004 0.00005 178 3PY -0.00120 -0.00243 0.00050 0.00017 -0.00008 179 3PZ -0.01061 0.00094 -0.00697 -0.00069 0.00032 180 4XX -0.00194 0.00058 -0.00028 -0.00015 0.00011 181 4YY 0.00040 0.00019 0.00048 0.00005 -0.00004 182 4ZZ 0.00152 -0.00060 -0.00027 0.00009 -0.00006 183 4XY 0.00186 0.00113 0.00075 -0.00007 0.00005 184 4XZ -0.00010 0.00045 0.00045 -0.00001 0.00000 185 4YZ 0.00027 0.00093 0.00247 -0.00010 0.00004 186 22 H 1S -0.00890 0.00351 -0.00089 -0.00060 0.00045 187 2S -0.01996 0.00502 -0.00509 -0.00128 0.00082 188 23 H 1S 0.00593 -0.00280 -0.00210 0.00037 -0.00022 189 2S 0.01433 -0.00250 0.00189 0.00102 -0.00054 46 47 48 49 50 46 4ZZ 0.00083 47 4XY 0.00026 0.00099 48 4XZ -0.00020 -0.00021 0.00070 49 4YZ -0.00001 -0.00045 0.00026 0.00115 50 6 H 1S 0.00384 0.00859 -0.00846 -0.01054 0.21682 51 2S 0.00511 0.00840 -0.00615 -0.01027 0.17849 52 7 C 1S -0.00028 0.00377 0.00330 -0.00339 0.01340 53 2S 0.00037 -0.00669 -0.00645 0.00642 -0.02783 54 2PX 0.00253 -0.00288 -0.00352 0.00896 -0.03374 55 2PY -0.00171 -0.00164 0.00715 0.00155 0.00458 56 2PZ 0.01004 0.00839 -0.00088 -0.00098 0.03267 57 3S -0.00185 -0.00933 -0.00398 0.00719 -0.06019 58 3PX 0.00257 -0.00072 -0.00067 0.00549 -0.02006 59 3PY 0.00097 0.00011 0.00157 0.00055 0.01149 60 3PZ 0.00456 0.00457 -0.00057 0.00154 0.00830 61 4XX 0.00006 0.00001 -0.00006 -0.00041 0.00343 62 4YY -0.00040 -0.00024 0.00056 0.00026 -0.00522 63 4ZZ 0.00024 0.00058 -0.00016 -0.00036 0.00583 64 4XY 0.00025 0.00030 0.00001 -0.00030 0.00373 65 4XZ -0.00009 -0.00014 0.00046 -0.00012 -0.00365 66 4YZ -0.00045 -0.00013 0.00005 0.00013 -0.00227 67 8 H 1S -0.00249 -0.00409 0.00314 0.00322 -0.02200 68 2S -0.00300 -0.00226 0.00472 0.00245 -0.02787 69 9 C 1S -0.00151 -0.00087 0.00071 0.00020 -0.00687 70 2S 0.00288 0.00183 -0.00155 -0.00059 0.01513 71 2PX 0.00379 0.00115 -0.00124 0.00008 0.00999 72 2PY 0.00200 0.00248 -0.00119 0.00027 0.01081 73 2PZ -0.00715 -0.00424 0.00609 0.00039 -0.03280 74 3S 0.00338 0.00243 -0.00263 -0.00290 0.04074 75 3PX 0.00175 0.00045 -0.00052 0.00004 0.00349 76 3PY 0.00091 0.00187 -0.00024 -0.00020 0.01163 77 3PZ -0.00436 -0.00299 0.00300 0.00074 -0.02868 78 4XX -0.00014 -0.00008 0.00013 0.00011 -0.00124 79 4YY -0.00005 -0.00001 0.00018 0.00009 0.00002 80 4ZZ 0.00003 -0.00009 -0.00023 -0.00004 -0.00009 81 4XY 0.00014 0.00001 -0.00004 0.00002 0.00036 82 4XZ -0.00019 0.00002 0.00025 -0.00032 0.00153 83 4YZ -0.00018 -0.00008 0.00012 -0.00006 -0.00076 84 10 H 1S -0.00072 -0.00055 0.00140 -0.00080 -0.00046 85 2S -0.00163 -0.00130 0.00157 -0.00161 -0.00035 86 11 H 1S -0.00159 -0.00033 0.00071 0.00078 -0.00882 87 2S -0.00109 -0.00077 0.00077 0.00269 -0.02194 88 12 C 1S -0.00037 0.00004 -0.00011 -0.00025 -0.00079 89 2S 0.00057 -0.00034 0.00023 0.00077 0.00112 90 2PX 0.00080 0.00021 -0.00007 0.00113 -0.00022 91 2PY -0.00044 -0.00037 0.00072 -0.00087 0.00117 92 2PZ -0.00075 0.00148 -0.00007 -0.00026 -0.00254 93 3S 0.00174 0.00005 0.00077 0.00318 0.00320 94 3PX 0.00034 0.00004 0.00016 0.00059 -0.00141 95 3PY -0.00059 -0.00040 0.00102 -0.00073 -0.00077 96 3PZ -0.00067 0.00152 0.00002 -0.00044 -0.00107 97 4XX -0.00005 -0.00002 -0.00003 -0.00019 0.00043 98 4YY 0.00000 -0.00010 -0.00001 0.00001 -0.00012 99 4ZZ 0.00004 0.00020 0.00001 0.00010 0.00021 100 4XY 0.00009 0.00008 -0.00002 0.00000 0.00015 101 4XZ 0.00005 0.00009 0.00004 0.00036 -0.00059 102 4YZ -0.00019 -0.00027 0.00019 0.00005 -0.00111 103 13 H 1S -0.00007 0.00021 -0.00034 -0.00121 0.00338 104 2S -0.00013 0.00003 -0.00057 -0.00300 0.00713 105 14 H 1S 0.00065 0.00137 -0.00029 0.00142 -0.00048 106 2S 0.00068 0.00145 -0.00047 0.00125 0.00041 107 15 C 1S -0.00015 0.00016 -0.00019 0.00013 -0.00030 108 2S 0.00022 -0.00047 0.00028 -0.00029 0.00056 109 2PX -0.00070 -0.00005 0.00097 -0.00034 0.00191 110 2PY 0.00024 0.00087 0.00046 0.00120 -0.00091 111 2PZ -0.00057 0.00071 0.00033 0.00031 0.00189 112 3S -0.00096 -0.00221 0.00136 -0.00108 -0.00210 113 3PX 0.00005 0.00072 0.00043 -0.00008 0.00391 114 3PY -0.00015 0.00041 0.00034 0.00099 -0.00240 115 3PZ -0.00046 -0.00079 0.00056 0.00042 -0.00308 116 4XX -0.00002 0.00029 -0.00003 0.00020 0.00003 117 4YY -0.00001 -0.00013 0.00004 -0.00006 -0.00020 118 4ZZ 0.00007 -0.00008 -0.00005 -0.00001 -0.00010 119 4XY -0.00017 -0.00015 0.00000 -0.00031 0.00054 120 4XZ 0.00004 0.00013 0.00003 0.00013 -0.00001 121 4YZ -0.00016 -0.00022 -0.00001 -0.00034 0.00061 122 16 H 1S -0.00013 -0.00142 -0.00012 -0.00138 0.00080 123 2S -0.00027 -0.00157 -0.00021 -0.00097 -0.00054 124 17 C 1S -0.00029 0.00024 -0.00045 0.00083 -0.00034 125 2S 0.00015 -0.00056 0.00114 -0.00128 0.00040 126 2PX -0.00343 -0.00303 0.00059 -0.00509 0.00756 127 2PY 0.00003 -0.00034 0.00017 -0.00133 0.00083 128 2PZ -0.00310 -0.00277 -0.00062 -0.00437 0.01010 129 3S 0.00025 -0.00121 0.00040 -0.00315 0.00525 130 3PX -0.00243 -0.00255 0.00059 -0.00334 0.00206 131 3PY -0.00100 -0.00149 0.00078 -0.00135 -0.00347 132 3PZ -0.00162 -0.00155 -0.00044 -0.00421 0.01568 133 4XX -0.00028 -0.00010 -0.00012 -0.00009 0.00007 134 4YY 0.00002 0.00000 0.00007 0.00002 0.00001 135 4ZZ 0.00021 0.00012 -0.00003 0.00005 0.00025 136 4XY -0.00003 -0.00007 0.00003 -0.00003 -0.00012 137 4XZ -0.00017 -0.00011 -0.00004 -0.00013 -0.00008 138 4YZ -0.00003 -0.00002 -0.00008 0.00003 0.00016 139 18 H 1S 0.00133 0.00069 0.00089 0.00039 -0.00184 140 2S 0.00199 0.00194 0.00025 0.00107 0.00543 141 19 O 1S -0.00001 -0.00015 0.00005 -0.00001 -0.00015 142 2S -0.00013 0.00016 -0.00009 -0.00012 0.00015 143 2PX 0.00076 -0.00013 -0.00057 -0.00042 -0.00084 144 2PY -0.00033 -0.00009 -0.00037 -0.00015 0.00005 145 2PZ 0.00076 -0.00041 0.00006 0.00012 -0.00272 146 3S 0.00054 0.00179 -0.00028 0.00064 0.00296 147 3PX 0.00061 0.00022 -0.00049 -0.00019 0.00003 148 3PY -0.00007 0.00013 -0.00034 -0.00002 0.00046 149 3PZ 0.00055 -0.00061 -0.00004 -0.00006 -0.00220 150 4XX -0.00001 -0.00006 0.00002 -0.00003 -0.00008 151 4YY -0.00005 -0.00008 0.00000 -0.00005 -0.00016 152 4ZZ -0.00004 -0.00008 -0.00001 -0.00009 0.00005 153 4XY 0.00003 0.00002 -0.00002 -0.00002 0.00012 154 4XZ 0.00000 0.00000 0.00001 0.00002 -0.00005 155 4YZ 0.00000 -0.00006 0.00001 -0.00006 0.00001 156 20 O 1S -0.00013 -0.00004 0.00008 -0.00026 0.00024 157 2S 0.00050 0.00010 -0.00009 0.00043 0.00002 158 2PX 0.00293 0.00182 -0.00038 0.00284 -0.00441 159 2PY -0.00045 -0.00005 -0.00050 0.00038 0.00049 160 2PZ 0.00256 0.00135 0.00024 0.00247 -0.00586 161 3S 0.00020 0.00029 -0.00009 0.00175 -0.00454 162 3PX 0.00220 0.00161 -0.00014 0.00270 -0.00541 163 3PY -0.00024 0.00005 -0.00039 0.00017 0.00130 164 3PZ 0.00235 0.00130 0.00010 0.00218 -0.00405 165 4XX -0.00004 -0.00010 0.00000 -0.00019 0.00036 166 4YY 0.00003 -0.00003 0.00002 -0.00004 -0.00004 167 4ZZ 0.00006 0.00006 -0.00002 0.00009 -0.00013 168 4XY -0.00010 -0.00006 0.00001 -0.00010 0.00021 169 4XZ -0.00004 -0.00002 -0.00003 -0.00003 0.00015 170 4YZ -0.00008 -0.00002 0.00000 -0.00002 -0.00002 171 21 C 1S -0.00006 0.00009 -0.00010 0.00010 0.00004 172 2S 0.00000 -0.00022 0.00013 -0.00032 0.00037 173 2PX -0.00026 -0.00020 0.00030 -0.00046 -0.00002 174 2PY 0.00020 0.00000 0.00033 -0.00039 0.00032 175 2PZ 0.00005 0.00030 -0.00018 0.00025 0.00137 176 3S -0.00018 -0.00025 0.00025 -0.00045 -0.00012 177 3PX -0.00008 -0.00009 0.00015 -0.00010 -0.00160 178 3PY -0.00003 0.00002 0.00011 -0.00014 -0.00012 179 3PZ 0.00070 0.00040 -0.00019 0.00055 0.00007 180 4XX 0.00015 0.00005 -0.00004 0.00009 -0.00018 181 4YY -0.00002 -0.00002 0.00004 -0.00001 -0.00003 182 4ZZ -0.00011 -0.00002 -0.00001 -0.00008 0.00036 183 4XY 0.00009 0.00006 0.00003 0.00010 -0.00020 184 4XZ 0.00002 -0.00001 -0.00001 0.00000 -0.00001 185 4YZ 0.00005 0.00007 -0.00001 0.00014 -0.00022 186 22 H 1S 0.00057 0.00019 -0.00017 0.00046 -0.00109 187 2S 0.00101 0.00050 -0.00026 0.00099 -0.00264 188 23 H 1S -0.00044 -0.00008 -0.00002 -0.00032 0.00144 189 2S -0.00122 -0.00036 0.00002 -0.00077 0.00222 51 52 53 54 55 51 2S 0.17042 52 7 C 1S 0.01944 2.05539 53 2S -0.03267 -0.05964 0.32425 54 2PX -0.07707 -0.00414 0.01119 0.36207 55 2PY -0.00139 -0.00258 -0.00172 -0.02589 0.40928 56 2PZ 0.06898 0.00103 0.00608 -0.04104 -0.00840 57 3S -0.06071 -0.20722 0.29460 -0.02450 0.00121 58 3PX -0.03812 0.00600 -0.00897 0.19052 0.02032 59 3PY 0.01120 0.01101 0.00750 0.00669 0.13639 60 3PZ 0.01499 0.00494 -0.00450 0.04800 0.00969 61 4XX 0.00210 -0.01152 -0.01222 0.00694 -0.00508 62 4YY -0.00500 -0.01805 0.00132 -0.00441 0.02160 63 4ZZ 0.00636 -0.01386 -0.00723 -0.00709 -0.01088 64 4XY 0.00551 0.00183 -0.00408 -0.00835 -0.00242 65 4XZ -0.00136 0.00227 -0.00531 -0.00636 0.00468 66 4YZ -0.00402 0.00065 -0.00147 0.00302 -0.00257 67 8 H 1S -0.02601 -0.05955 0.11267 -0.03669 0.26327 68 2S -0.03418 -0.01338 0.02603 -0.01210 0.24233 69 9 C 1S -0.00863 0.01270 -0.02331 0.02056 0.02976 70 2S 0.02058 -0.02437 0.04045 -0.04259 -0.05673 71 2PX 0.02461 -0.01611 0.03260 0.00572 -0.02544 72 2PY 0.01639 -0.02401 0.05055 -0.02078 -0.03245 73 2PZ -0.06471 0.06443 -0.13790 0.09457 0.12319 74 3S 0.04800 0.00632 0.02102 -0.08131 -0.10647 75 3PX 0.01053 -0.00244 0.01303 0.00481 -0.01309 76 3PY 0.01453 -0.00727 0.01368 -0.01630 0.00146 77 3PZ -0.04379 0.01104 -0.04265 0.03227 0.05385 78 4XX -0.00279 0.00189 -0.00440 0.00724 0.00163 79 4YY -0.00024 0.00078 -0.00222 0.00074 0.00999 80 4ZZ 0.00105 -0.00456 0.00840 -0.00561 -0.00742 81 4XY 0.00086 -0.00116 0.00206 0.00153 0.00092 82 4XZ 0.00195 0.00269 -0.00551 -0.00796 0.00347 83 4YZ -0.00189 0.00413 -0.00774 0.00366 -0.00355 84 10 H 1S -0.00398 0.00859 -0.02462 0.00259 0.00587 85 2S -0.00264 0.01365 -0.03241 -0.00835 0.01047 86 11 H 1S -0.02251 0.00758 -0.01880 0.02399 0.00144 87 2S -0.03844 0.01398 -0.02555 0.08455 0.01305 88 12 C 1S -0.00011 -0.00198 0.00435 -0.00326 -0.00938 89 2S -0.00107 0.00480 -0.00996 0.00551 0.01912 90 2PX -0.00400 0.00163 -0.00339 0.00493 0.00364 91 2PY 0.00090 0.01003 -0.02611 0.00168 0.03472 92 2PZ 0.00657 -0.00324 0.01487 -0.00472 -0.00812 93 3S -0.00158 -0.00402 -0.01079 0.03954 0.07529 94 3PX -0.00407 -0.00051 -0.00436 0.00675 0.00924 95 3PY -0.00134 0.00566 -0.01790 0.00684 0.05113 96 3PZ 0.00477 0.00104 0.00712 -0.00969 -0.00259 97 4XX 0.00114 -0.00041 0.00107 -0.00144 -0.00084 98 4YY -0.00042 -0.00061 0.00090 -0.00251 -0.00210 99 4ZZ 0.00009 0.00017 -0.00083 0.00254 0.00141 100 4XY 0.00064 -0.00031 0.00058 0.00061 -0.00065 101 4XZ -0.00126 0.00007 0.00007 0.00204 0.00060 102 4YZ -0.00261 0.00156 -0.00352 0.00251 0.00466 103 13 H 1S 0.01026 -0.00394 0.01086 -0.01109 -0.01066 104 2S 0.01758 -0.00621 0.01381 -0.02756 -0.01997 105 14 H 1S 0.00122 -0.00214 0.00932 0.00776 -0.00469 106 2S 0.00206 -0.00304 0.01042 0.00965 -0.01422 107 15 C 1S 0.00031 -0.00114 0.00404 -0.00375 -0.00570 108 2S -0.00025 0.00347 -0.00401 0.00921 0.00889 109 2PX -0.00125 0.00583 -0.01829 0.00320 0.00682 110 2PY -0.00429 0.00248 -0.00549 0.02460 0.02133 111 2PZ 0.00149 0.00553 -0.01442 0.00962 0.00601 112 3S -0.00603 -0.00325 -0.02191 0.01343 0.05143 113 3PX 0.00368 0.00526 -0.01327 0.01007 0.00737 114 3PY -0.00362 -0.00267 -0.00274 0.00817 0.02109 115 3PZ -0.00689 0.00045 -0.01539 0.01966 0.00914 116 4XX 0.00034 -0.00018 0.00024 0.00130 -0.00011 117 4YY -0.00051 -0.00002 0.00001 -0.00059 0.00001 118 4ZZ -0.00019 -0.00013 0.00072 0.00044 -0.00069 119 4XY 0.00129 -0.00038 0.00027 -0.00671 -0.00301 120 4XZ -0.00042 0.00021 -0.00070 0.00222 0.00120 121 4YZ 0.00104 -0.00053 0.00045 -0.00640 -0.00218 122 16 H 1S 0.00200 -0.00247 0.00548 -0.02136 -0.01024 123 2S 0.00026 -0.00501 0.00767 -0.02727 -0.01593 124 17 C 1S -0.00222 -0.00167 0.00243 0.01276 0.00662 125 2S 0.00164 0.00082 -0.01495 -0.01894 -0.00683 126 2PX 0.02106 -0.00707 0.00808 -0.12562 -0.04886 127 2PY 0.00701 0.00033 -0.00424 -0.03044 -0.02306 128 2PZ 0.01366 -0.01113 0.01637 -0.11414 -0.03324 129 3S 0.01392 0.02052 -0.00436 -0.04805 -0.04969 130 3PX 0.00773 0.00123 -0.00420 -0.07642 -0.03219 131 3PY -0.00061 -0.00016 -0.00775 -0.02089 0.01226 132 3PZ 0.02345 0.00288 0.00737 -0.08784 -0.02546 133 4XX -0.00018 -0.00199 0.00365 -0.00610 -0.00340 134 4YY 0.00004 0.00017 -0.00124 0.00218 0.00332 135 4ZZ 0.00048 0.00013 -0.00082 0.00209 -0.00015 136 4XY 0.00029 -0.00079 0.00193 -0.00276 0.00136 137 4XZ 0.00075 -0.00132 0.00312 -0.00608 -0.00243 138 4YZ -0.00007 -0.00088 0.00224 -0.00213 0.00111 139 18 H 1S 0.00093 0.00728 -0.01743 0.02453 0.00108 140 2S 0.00666 0.00915 -0.01577 0.03753 0.00823 141 19 O 1S -0.00104 -0.00022 -0.00117 0.00063 0.00076 142 2S 0.00263 -0.00032 0.00238 -0.00359 -0.00223 143 2PX 0.00145 -0.00166 0.00953 -0.00377 -0.00692 144 2PY 0.00520 -0.00019 0.00238 -0.00706 -0.00855 145 2PZ -0.00704 0.00011 0.00383 0.01334 0.00750 146 3S 0.00655 0.00409 0.00521 0.00169 -0.00495 147 3PX 0.00193 -0.00060 0.00937 -0.00586 -0.00677 148 3PY 0.00418 0.00061 0.00226 -0.00263 -0.00786 149 3PZ -0.00521 -0.00071 0.00479 0.00758 0.00490 150 4XX -0.00026 0.00017 -0.00071 0.00062 0.00027 151 4YY 0.00006 -0.00034 -0.00003 -0.00058 -0.00013 152 4ZZ 0.00021 -0.00056 0.00036 -0.00177 -0.00065 153 4XY 0.00024 0.00010 0.00027 0.00016 0.00011 154 4XZ -0.00016 0.00003 -0.00018 0.00038 0.00018 155 4YZ -0.00006 0.00000 0.00000 -0.00059 -0.00025 156 20 O 1S 0.00191 -0.00055 0.00280 -0.00613 -0.00008 157 2S -0.00376 0.00207 -0.00568 0.01312 -0.00036 158 2PX -0.01270 0.01104 -0.01863 0.06906 0.01407 159 2PY 0.00301 0.00203 -0.00108 0.00561 -0.00399 160 2PZ -0.00492 0.01042 -0.01274 0.05966 0.01695 161 3S -0.01267 -0.00275 -0.01073 0.03226 0.00198 162 3PX -0.01234 0.00669 -0.01586 0.06104 0.01356 163 3PY 0.00351 0.00173 0.00046 0.00179 -0.00425 164 3PZ -0.00433 0.00934 -0.01029 0.05512 0.01748 165 4XX 0.00082 0.00007 0.00018 -0.00386 -0.00150 166 4YY 0.00000 0.00010 0.00080 -0.00008 0.00087 167 4ZZ -0.00012 0.00052 0.00042 0.00246 0.00022 168 4XY 0.00069 -0.00037 0.00099 -0.00284 -0.00046 169 4XZ 0.00027 -0.00015 0.00072 -0.00115 -0.00007 170 4YZ -0.00027 -0.00041 0.00062 -0.00100 0.00028 171 21 C 1S -0.00022 0.00044 0.00015 0.00281 0.00018 172 2S 0.00171 -0.00040 0.00053 -0.00700 -0.00144 173 2PX 0.00242 -0.00120 0.00192 -0.00923 -0.00113 174 2PY 0.00175 -0.00094 0.00121 -0.00768 0.00095 175 2PZ 0.00096 -0.00068 0.00153 0.00177 0.00092 176 3S 0.00158 -0.00178 -0.00022 -0.01482 -0.00208 177 3PX -0.00108 -0.00090 -0.00028 -0.00021 0.00040 178 3PY 0.00132 -0.00040 -0.00005 -0.00393 -0.00156 179 3PZ -0.00066 0.00033 -0.00023 0.01289 0.00204 180 4XX -0.00047 0.00056 -0.00046 0.00293 0.00038 181 4YY 0.00007 0.00015 -0.00017 -0.00013 0.00015 182 4ZZ 0.00052 -0.00036 0.00055 -0.00253 -0.00063 183 4XY -0.00055 0.00035 -0.00077 0.00248 0.00082 184 4XZ -0.00006 0.00020 -0.00023 0.00059 -0.00012 185 4YZ -0.00023 0.00056 -0.00084 0.00279 0.00052 186 22 H 1S -0.00269 0.00172 -0.00204 0.01213 0.00176 187 2S -0.00526 0.00251 -0.00265 0.02560 0.00434 188 23 H 1S 0.00213 -0.00159 0.00190 -0.00964 -0.00219 189 2S 0.00310 -0.00268 0.00304 -0.02049 -0.00446 56 57 58 59 60 56 2PZ 0.38250 57 3S -0.04149 0.32239 58 3PX 0.02341 -0.02528 0.11516 59 3PY 0.02344 -0.01323 0.01391 0.06049 60 3PZ 0.17152 -0.03997 0.04603 0.02066 0.09829 61 4XX -0.00256 -0.01118 0.00371 -0.00153 0.00001 62 4YY -0.00220 0.00387 -0.00090 0.00652 -0.00047 63 4ZZ 0.00463 -0.00653 -0.00420 -0.00359 0.00022 64 4XY 0.00372 -0.00357 -0.00370 -0.00089 -0.00008 65 4XZ 0.00028 -0.00310 -0.00253 0.00111 -0.00140 66 4YZ -0.01126 -0.00006 -0.00008 -0.00194 -0.00389 67 8 H 1S -0.02313 0.11495 -0.00543 0.08610 -0.00852 68 2S -0.02255 0.03232 0.01120 0.07471 -0.00040 69 9 C 1S -0.05309 -0.00212 0.00405 0.00787 -0.00609 70 2S 0.10943 0.01759 -0.01143 -0.01853 0.02445 71 2PX 0.08321 0.03075 0.00295 -0.00055 0.01891 72 2PY 0.11280 0.03599 -0.00795 -0.01325 0.05286 73 2PZ -0.23627 -0.10752 0.03875 0.01921 -0.09337 74 3S 0.09423 0.00011 -0.04022 -0.03011 0.00611 75 3PX 0.03813 0.00751 0.00120 0.00236 0.01004 76 3PY 0.04924 0.01284 -0.00359 -0.00559 0.02107 77 3PZ -0.12041 -0.01530 0.01149 -0.00072 -0.05337 78 4XX -0.00424 -0.00481 0.00385 0.00011 -0.00011 79 4YY -0.00265 -0.00180 0.00121 0.00365 -0.00042 80 4ZZ 0.00143 0.00898 -0.00417 -0.00270 -0.00123 81 4XY 0.00349 0.00210 0.00124 0.00071 0.00110 82 4XZ -0.00551 -0.00331 -0.00466 0.00013 -0.00483 83 4YZ -0.00854 -0.00582 0.00151 -0.00303 -0.00416 84 10 H 1S -0.02552 -0.01650 -0.00196 -0.00839 -0.02831 85 2S -0.05773 -0.01574 -0.01118 -0.00848 -0.04128 86 11 H 1S -0.02447 -0.02907 0.01526 -0.00621 0.00037 87 2S -0.02920 -0.04720 0.04542 0.00649 0.01670 88 12 C 1S 0.00510 0.00336 -0.00365 -0.00383 0.00211 89 2S -0.01658 -0.00841 0.00561 0.00857 -0.00726 90 2PX -0.00251 -0.01166 -0.00379 0.00037 0.00253 91 2PY -0.03193 -0.02824 0.00878 0.01333 -0.02464 92 2PZ 0.02354 -0.01059 -0.01567 0.02777 0.02558 93 3S -0.00552 -0.00890 0.03470 0.02661 0.00689 94 3PX -0.00085 -0.00657 0.00149 0.00233 0.00251 95 3PY -0.02278 -0.01694 0.00937 0.01654 -0.01243 96 3PZ 0.01825 -0.00622 -0.01050 0.01216 0.01601 97 4XX 0.00019 0.00055 -0.00168 0.00079 0.00030 98 4YY 0.00063 0.00073 -0.00137 -0.00057 -0.00115 99 4ZZ 0.00067 -0.00051 0.00199 -0.00059 0.00129 100 4XY 0.00299 0.00081 0.00080 -0.00008 0.00092 101 4XZ 0.00219 -0.00023 0.00168 0.00058 0.00221 102 4YZ -0.00737 -0.00200 0.00125 0.00038 -0.00351 103 13 H 1S 0.01211 0.01023 -0.00772 0.00434 0.00487 104 2S 0.01410 0.01262 -0.02177 0.00183 -0.00010 105 14 H 1S 0.02426 -0.00543 -0.00103 0.01113 0.02463 106 2S 0.03381 -0.00173 0.00368 0.00400 0.02818 107 15 C 1S -0.00104 -0.00088 -0.00315 0.00141 -0.00236 108 2S 0.00595 -0.00773 0.00641 0.00190 0.00664 109 2PX 0.00280 0.01257 0.01926 -0.02062 0.00324 110 2PY 0.01510 -0.01102 0.01974 0.00194 0.02322 111 2PZ 0.00634 -0.00500 0.02552 -0.01214 0.00099 112 3S -0.02248 -0.00629 0.00910 0.00011 -0.00615 113 3PX 0.01953 -0.00493 0.01788 -0.00701 0.01244 114 3PY -0.01120 -0.00986 0.00105 0.00686 0.00237 115 3PZ -0.00857 0.00356 0.02411 -0.01100 -0.00467 116 4XX 0.00109 -0.00040 0.00126 -0.00026 0.00065 117 4YY -0.00071 0.00164 -0.00015 -0.00055 -0.00038 118 4ZZ 0.00016 -0.00060 -0.00026 0.00095 -0.00007 119 4XY -0.00380 0.00096 -0.00421 -0.00153 -0.00362 120 4XZ 0.00187 0.00092 0.00229 -0.00100 0.00180 121 4YZ -0.00407 0.00269 -0.00449 -0.00187 -0.00368 122 16 H 1S -0.01525 0.00985 -0.02181 0.00012 -0.01452 123 2S -0.02903 0.01297 -0.02657 -0.00085 -0.02284 124 17 C 1S 0.00401 0.00545 -0.00210 0.00315 0.00584 125 2S -0.00944 0.00341 0.00221 -0.01061 -0.01088 126 2PX -0.07152 0.01402 -0.07728 -0.02364 -0.06266 127 2PY -0.01137 0.00092 -0.01458 -0.00347 -0.02342 128 2PZ -0.07664 0.05457 -0.07322 -0.03334 -0.06248 129 3S 0.01512 0.01153 -0.01180 -0.02099 -0.01135 130 3PX -0.06547 0.01238 -0.04913 -0.01954 -0.05074 131 3PY -0.02429 0.00105 -0.01241 -0.00154 -0.02026 132 3PZ -0.03312 0.02295 -0.05310 -0.01767 -0.03829 133 4XX -0.00692 0.00941 -0.00464 -0.00409 -0.00569 134 4YY 0.00163 -0.00337 0.00137 0.00164 0.00184 135 4ZZ 0.00376 -0.00482 0.00127 0.00264 0.00272 136 4XY -0.00194 0.00024 -0.00192 0.00214 -0.00164 137 4XZ -0.00172 0.00298 -0.00420 -0.00126 -0.00207 138 4YZ -0.00162 0.00132 -0.00315 0.00079 -0.00013 139 18 H 1S 0.02456 -0.02913 0.02618 0.01046 0.01183 140 2S 0.04108 -0.03877 0.03204 0.01814 0.02567 141 19 O 1S -0.00030 0.00648 0.00010 -0.00382 -0.00054 142 2S -0.00319 -0.01565 -0.00150 0.00856 -0.00261 143 2PX -0.00465 -0.01461 -0.00896 0.01866 -0.00557 144 2PY -0.00365 -0.02233 -0.01269 0.00426 -0.00731 145 2PZ 0.00381 -0.00649 0.00430 0.01308 0.01187 146 3S 0.01809 -0.02715 0.00156 0.01463 0.01564 147 3PX 0.00020 -0.01029 -0.00965 0.01429 -0.00140 148 3PY 0.00128 -0.01752 -0.00805 0.00376 -0.00179 149 3PZ -0.00081 -0.00430 -0.00034 0.01108 0.00553 150 4XX -0.00036 -0.00038 0.00074 -0.00023 -0.00011 151 4YY -0.00124 -0.00027 -0.00064 -0.00002 -0.00131 152 4ZZ -0.00164 0.00161 -0.00159 -0.00074 -0.00141 153 4XY 0.00030 -0.00093 -0.00002 0.00074 0.00017 154 4XZ 0.00024 0.00036 0.00054 -0.00019 0.00018 155 4YZ -0.00059 0.00033 -0.00031 0.00000 -0.00037 156 20 O 1S 0.00044 -0.00091 0.00232 0.00431 -0.00490 157 2S 0.00092 0.01006 -0.00346 -0.01246 0.00929 158 2PX 0.02060 -0.07163 0.03904 0.03744 0.03985 159 2PY 0.00346 -0.04816 -0.01897 0.00249 0.02103 160 2PZ 0.03117 -0.11601 0.02492 0.06405 0.05190 161 3S -0.01438 -0.00544 -0.00401 -0.01127 0.01490 162 3PX 0.01719 -0.05881 0.03396 0.03125 0.03322 163 3PY 0.00675 -0.03058 -0.01266 0.00128 0.01502 164 3PZ 0.03468 -0.08593 0.02657 0.04826 0.04593 165 4XX -0.00156 -0.00036 -0.00227 -0.00021 -0.00146 166 4YY 0.00029 0.00331 0.00139 0.00021 -0.00122 167 4ZZ 0.00223 0.00055 0.00196 -0.00014 0.00122 168 4XY -0.00027 0.00225 -0.00192 -0.00108 -0.00122 169 4XZ -0.00012 -0.00047 -0.00089 0.00050 -0.00012 170 4YZ -0.00083 0.00430 -0.00018 -0.00195 -0.00138 171 21 C 1S 0.00039 -0.00578 0.00103 0.00212 0.00103 172 2S -0.00097 0.00761 -0.00144 -0.00110 -0.00495 173 2PX -0.00165 0.01627 0.00058 -0.00341 -0.01171 174 2PY 0.00121 0.01417 0.00120 0.00185 -0.00543 175 2PZ 0.00296 0.00990 0.00154 -0.00727 0.00443 176 3S 0.00004 0.00725 -0.00452 -0.00146 -0.00638 177 3PX -0.00146 -0.00047 0.00192 0.00293 -0.00307 178 3PY 0.00002 -0.00282 -0.00137 0.00214 -0.00171 179 3PZ 0.00851 -0.01019 0.00563 0.00603 0.01065 180 4XX 0.00066 -0.00435 0.00128 0.00265 0.00168 181 4YY 0.00029 -0.00073 -0.00035 0.00014 0.00045 182 4ZZ -0.00081 0.00508 -0.00082 -0.00295 -0.00203 183 4XY 0.00109 -0.00034 0.00199 0.00066 0.00125 184 4XZ 0.00026 -0.00165 -0.00001 0.00047 0.00098 185 4YZ 0.00104 -0.00500 0.00128 0.00164 0.00196 186 22 H 1S 0.00298 -0.01987 0.00329 0.01057 0.00974 187 2S 0.00674 -0.03336 0.00915 0.01919 0.01741 188 23 H 1S -0.00323 0.02170 -0.00246 -0.01271 -0.00647 189 2S -0.01337 0.03675 -0.00763 -0.02332 -0.01666 61 62 63 64 65 61 4XX 0.00146 62 4YY -0.00049 0.00182 63 4ZZ 0.00006 -0.00074 0.00145 64 4XY 0.00007 -0.00025 0.00042 0.00050 65 4XZ 0.00006 0.00036 -0.00005 0.00012 0.00080 66 4YZ 0.00016 -0.00014 -0.00001 -0.00024 -0.00007 67 8 H 1S -0.00833 0.01643 -0.00987 -0.00312 0.00188 68 2S -0.00503 0.01564 -0.00878 -0.00285 0.00274 69 9 C 1S 0.00174 0.00160 -0.00514 -0.00142 0.00202 70 2S -0.00418 -0.00340 0.00883 0.00264 -0.00374 71 2PX -0.00692 -0.00076 0.00552 -0.00083 0.00934 72 2PY -0.00068 -0.00957 0.00784 -0.00039 -0.00271 73 2PZ 0.00573 0.00335 0.00083 -0.00417 0.00372 74 3S -0.00363 -0.00667 0.01156 0.00427 -0.00374 75 3PX -0.00294 -0.00048 0.00249 -0.00052 0.00452 76 3PY -0.00104 -0.00358 0.00396 0.00017 -0.00108 77 3PZ 0.00125 0.00224 0.00000 -0.00233 0.00131 78 4XX 0.00053 -0.00030 0.00006 -0.00018 -0.00030 79 4YY -0.00014 0.00086 -0.00056 -0.00003 0.00018 80 4ZZ -0.00034 -0.00041 0.00028 0.00004 0.00017 81 4XY -0.00024 0.00003 0.00010 -0.00007 0.00036 82 4XZ -0.00015 0.00015 0.00050 0.00015 0.00068 83 4YZ 0.00029 -0.00032 0.00034 -0.00002 0.00003 84 10 H 1S -0.00201 -0.00252 0.00812 -0.00084 0.00434 85 2S -0.00030 -0.00181 0.00540 -0.00071 0.00556 86 11 H 1S 0.00422 -0.00292 0.00122 0.00000 -0.00736 87 2S 0.00580 -0.00213 -0.00212 -0.00171 -0.00627 88 12 C 1S 0.00042 -0.00147 0.00048 -0.00026 -0.00002 89 2S -0.00119 0.00324 -0.00116 0.00058 0.00015 90 2PX -0.00052 0.00055 -0.00009 -0.00009 -0.00098 91 2PY -0.00125 0.00824 -0.00398 0.00136 0.00095 92 2PZ 0.00267 -0.00097 -0.00004 -0.00052 0.00083 93 3S -0.00152 0.00537 -0.00303 0.00020 0.00004 94 3PX -0.00028 0.00065 -0.00022 -0.00026 -0.00073 95 3PY -0.00057 0.00561 -0.00317 0.00004 0.00108 96 3PZ 0.00117 0.00009 -0.00049 -0.00015 0.00081 97 4XX 0.00014 -0.00023 0.00007 -0.00005 0.00006 98 4YY -0.00022 0.00008 0.00022 0.00008 -0.00008 99 4ZZ 0.00010 -0.00010 -0.00005 -0.00001 -0.00002 100 4XY -0.00018 -0.00002 0.00016 -0.00002 0.00031 101 4XZ 0.00011 0.00004 -0.00006 0.00001 0.00000 102 4YZ 0.00005 0.00018 -0.00001 -0.00014 0.00009 103 13 H 1S 0.00000 -0.00150 0.00116 -0.00008 0.00098 104 2S -0.00081 -0.00214 0.00228 -0.00024 0.00119 105 14 H 1S 0.00129 -0.00101 -0.00009 -0.00009 -0.00074 106 2S 0.00242 -0.00205 -0.00035 0.00015 -0.00102 107 15 C 1S -0.00058 -0.00021 0.00075 -0.00041 -0.00035 108 2S 0.00122 0.00063 -0.00127 0.00057 0.00042 109 2PX 0.00602 -0.00052 -0.00316 0.00186 0.00340 110 2PY -0.00217 0.00154 -0.00055 0.00100 -0.00121 111 2PZ 0.00531 -0.00030 -0.00259 0.00132 0.00269 112 3S 0.00382 0.00229 -0.00391 0.00034 0.00204 113 3PX 0.00394 -0.00040 -0.00183 0.00102 0.00161 114 3PY -0.00249 0.00159 0.00041 -0.00009 -0.00080 115 3PZ 0.00477 -0.00030 -0.00267 0.00056 0.00211 116 4XX -0.00005 -0.00002 0.00004 -0.00002 -0.00001 117 4YY 0.00006 -0.00001 -0.00007 0.00004 0.00006 118 4ZZ -0.00008 -0.00003 0.00011 -0.00010 -0.00009 119 4XY 0.00019 -0.00014 0.00008 0.00015 0.00029 120 4XZ 0.00005 0.00004 -0.00014 0.00006 -0.00002 121 4YZ 0.00025 -0.00008 -0.00008 0.00014 0.00020 122 16 H 1S 0.00008 -0.00041 0.00042 -0.00030 0.00018 123 2S -0.00087 -0.00052 0.00119 -0.00027 -0.00003 124 17 C 1S -0.00165 0.00035 -0.00053 -0.00040 -0.00138 125 2S 0.00321 -0.00180 -0.00005 0.00127 0.00353 126 2PX 0.00444 -0.00248 0.00107 0.00355 0.00702 127 2PY 0.00366 -0.00289 0.00120 -0.00073 0.00350 128 2PZ 0.00393 -0.00056 -0.00172 0.00299 0.00288 129 3S 0.00511 -0.00437 0.00028 0.00228 0.00461 130 3PX 0.00340 -0.00191 0.00066 0.00196 0.00470 131 3PY 0.00222 0.00015 -0.00086 -0.00017 0.00263 132 3PZ 0.00301 -0.00113 -0.00039 0.00239 0.00304 133 4XX -0.00047 0.00000 0.00012 -0.00002 -0.00027 134 4YY 0.00005 0.00018 -0.00011 -0.00001 0.00007 135 4ZZ 0.00021 -0.00007 0.00006 -0.00004 0.00002 136 4XY -0.00036 0.00013 0.00017 -0.00003 -0.00001 137 4XZ -0.00030 0.00002 0.00012 0.00013 0.00000 138 4YZ -0.00039 0.00019 0.00003 -0.00004 -0.00028 139 18 H 1S 0.00239 -0.00186 0.00093 -0.00061 0.00260 140 2S 0.00120 -0.00106 0.00101 -0.00062 0.00082 141 19 O 1S 0.00016 -0.00010 -0.00031 0.00006 0.00004 142 2S -0.00015 0.00016 0.00063 -0.00016 0.00011 143 2PX -0.00284 0.00026 0.00265 -0.00115 -0.00161 144 2PY 0.00031 -0.00054 0.00067 -0.00047 0.00051 145 2PZ -0.00284 0.00099 0.00150 -0.00068 -0.00201 146 3S -0.00204 0.00017 0.00190 0.00008 -0.00077 147 3PX -0.00300 0.00024 0.00241 -0.00085 -0.00155 148 3PY 0.00018 -0.00053 0.00060 -0.00034 0.00030 149 3PZ -0.00243 0.00075 0.00124 -0.00066 -0.00166 150 4XX 0.00029 -0.00002 -0.00014 0.00003 0.00010 151 4YY 0.00008 -0.00001 -0.00003 -0.00003 0.00005 152 4ZZ -0.00007 -0.00002 0.00003 -0.00001 -0.00002 153 4XY -0.00011 0.00004 0.00007 -0.00002 -0.00008 154 4XZ 0.00003 -0.00001 -0.00002 0.00001 0.00002 155 4YZ 0.00002 -0.00001 0.00003 0.00000 0.00002 156 20 O 1S -0.00004 0.00023 0.00028 0.00006 0.00016 157 2S 0.00041 -0.00057 -0.00073 -0.00024 -0.00033 158 2PX 0.00525 -0.00063 -0.00150 -0.00124 0.00002 159 2PY 0.00034 -0.00012 0.00008 0.00006 0.00037 160 2PZ 0.00324 0.00033 0.00018 -0.00018 0.00185 161 3S -0.00117 0.00000 0.00002 -0.00066 -0.00128 162 3PX 0.00290 -0.00012 -0.00064 -0.00115 -0.00045 163 3PY 0.00019 -0.00012 0.00003 0.00016 0.00013 164 3PZ 0.00237 0.00031 -0.00019 -0.00042 0.00087 165 4XX 0.00034 -0.00012 -0.00005 0.00011 0.00028 166 4YY -0.00003 0.00005 -0.00008 -0.00002 0.00002 167 4ZZ -0.00006 -0.00003 -0.00002 -0.00007 -0.00009 168 4XY -0.00021 0.00001 0.00009 0.00002 0.00003 169 4XZ -0.00002 0.00004 0.00000 0.00003 -0.00008 170 4YZ -0.00025 0.00005 -0.00001 -0.00002 -0.00018 171 21 C 1S 0.00013 0.00012 0.00005 -0.00008 -0.00021 172 2S 0.00008 -0.00017 0.00015 0.00004 0.00079 173 2PX -0.00038 0.00010 0.00035 -0.00011 0.00051 174 2PY -0.00082 0.00010 0.00049 0.00030 0.00036 175 2PZ -0.00090 0.00043 0.00007 -0.00016 -0.00021 176 3S 0.00027 -0.00001 0.00017 0.00013 0.00131 177 3PX 0.00012 0.00018 0.00007 -0.00017 -0.00004 178 3PY -0.00014 -0.00011 0.00037 0.00012 0.00019 179 3PZ -0.00062 0.00031 0.00029 -0.00032 -0.00022 180 4XX 0.00014 -0.00002 0.00001 -0.00006 -0.00009 181 4YY -0.00004 0.00002 0.00002 0.00004 0.00004 182 4ZZ -0.00010 -0.00001 -0.00005 0.00002 0.00000 183 4XY 0.00017 -0.00001 -0.00011 0.00001 0.00003 184 4XZ 0.00008 -0.00003 0.00000 0.00001 0.00001 185 4YZ 0.00029 -0.00003 -0.00010 -0.00002 0.00009 186 22 H 1S 0.00043 -0.00014 0.00002 -0.00017 -0.00033 187 2S 0.00014 0.00011 0.00022 -0.00051 -0.00109 188 23 H 1S -0.00041 0.00004 -0.00012 0.00005 0.00015 189 2S -0.00013 -0.00013 -0.00055 0.00040 -0.00007 66 67 68 69 70 66 4YZ 0.00069 67 8 H 1S -0.00186 0.21712 68 2S -0.00124 0.17440 0.16355 69 9 C 1S 0.00343 0.01132 0.01371 2.05103 70 2S -0.00672 -0.02324 -0.02617 -0.05344 0.30657 71 2PX -0.00319 -0.00612 -0.01347 0.00098 -0.00067 72 2PY 0.00449 -0.03139 -0.06029 -0.00124 -0.00049 73 2PZ 0.00867 0.03098 0.06516 -0.00245 0.00006 74 3S -0.00652 -0.06133 -0.06555 -0.18685 0.28117 75 3PX -0.00142 -0.00466 -0.00745 0.00302 -0.00502 76 3PY 0.00192 -0.00683 -0.01816 0.00048 0.00275 77 3PZ 0.00441 0.02343 0.03475 -0.00204 0.01040 78 4XX 0.00042 -0.00169 -0.00053 -0.01778 -0.00010 79 4YY -0.00021 0.00661 0.00732 -0.01537 -0.00534 80 4ZZ 0.00012 -0.00180 -0.00464 -0.01624 -0.00354 81 4XY -0.00012 0.00108 0.00046 0.00041 -0.00075 82 4XZ 0.00012 0.00100 0.00155 -0.00043 0.00098 83 4YZ 0.00031 -0.00493 -0.00212 -0.00139 0.00261 84 10 H 1S 0.00161 -0.00930 -0.00534 -0.05193 0.10013 85 2S 0.00300 -0.00663 -0.00314 -0.00709 0.02107 86 11 H 1S 0.00221 -0.01380 -0.00767 -0.05220 0.10085 87 2S 0.00322 -0.01178 0.00024 -0.00452 0.01854 88 12 C 1S 0.00115 -0.00723 -0.00942 0.01053 -0.02012 89 2S -0.00206 0.01486 0.01986 -0.02012 0.03165 90 2PX -0.00043 0.00171 0.00521 -0.00122 0.00306 91 2PY -0.00746 0.03615 0.06072 -0.06362 0.13070 92 2PZ 0.00103 -0.00435 -0.02127 0.00371 -0.00750 93 3S -0.00257 0.04579 0.05053 0.00711 0.00810 94 3PX -0.00023 0.00449 0.00655 -0.00085 0.00217 95 3PY -0.00320 0.03711 0.04865 -0.01350 0.04062 96 3PZ 0.00057 0.00008 -0.00616 0.00380 -0.01062 97 4XX 0.00022 -0.00079 -0.00232 0.00216 -0.00521 98 4YY -0.00034 -0.00015 0.00022 -0.00696 0.01203 99 4ZZ 0.00021 -0.00013 0.00025 0.00218 -0.00498 100 4XY -0.00008 -0.00028 -0.00031 0.00000 -0.00001 101 4XZ 0.00002 0.00015 0.00030 0.00007 -0.00011 102 4YZ 0.00020 0.00195 0.00306 -0.00026 0.00015 103 13 H 1S 0.00103 -0.00689 -0.01807 0.00795 -0.02052 104 2S 0.00089 -0.01106 -0.02524 0.00877 -0.01911 105 14 H 1S 0.00098 -0.00563 -0.01413 0.00824 -0.01972 106 2S 0.00108 -0.01299 -0.02005 0.00990 -0.02047 107 15 C 1S -0.00023 -0.00212 -0.00397 -0.00163 0.00392 108 2S 0.00020 0.00348 0.00649 0.00284 -0.00515 109 2PX 0.00077 -0.00405 0.00507 0.00761 -0.01591 110 2PY 0.00070 0.01146 0.02195 0.00024 0.00164 111 2PZ 0.00063 -0.00399 0.00620 0.00723 -0.01447 112 3S 0.00080 0.02476 0.03429 0.00802 -0.02610 113 3PX 0.00009 -0.00356 0.00293 0.00443 -0.00681 114 3PY 0.00049 0.01368 0.01741 -0.00038 -0.00282 115 3PZ 0.00061 -0.00177 0.00604 0.00571 -0.01612 116 4XX 0.00003 -0.00019 0.00019 0.00002 0.00012 117 4YY 0.00002 0.00019 0.00012 -0.00009 0.00009 118 4ZZ -0.00009 -0.00024 -0.00077 -0.00049 0.00097 119 4XY 0.00008 -0.00130 -0.00179 0.00019 -0.00058 120 4XZ 0.00000 0.00036 0.00123 0.00008 0.00005 121 4YZ 0.00006 -0.00063 -0.00132 0.00012 -0.00081 122 16 H 1S -0.00028 -0.00264 -0.01052 -0.00121 0.00054 123 2S -0.00006 -0.00410 -0.01336 -0.00249 0.00139 124 17 C 1S -0.00024 0.00502 0.00458 -0.00166 0.00185 125 2S 0.00079 -0.00907 -0.00599 0.00244 -0.00649 126 2PX 0.00195 -0.01924 -0.02956 0.00587 -0.01460 127 2PY -0.00063 -0.01720 -0.02381 0.00085 -0.00282 128 2PZ 0.00184 -0.00412 -0.01471 0.00610 -0.01914 129 3S -0.00003 -0.03396 -0.03727 0.00490 0.00004 130 3PX 0.00193 -0.01561 -0.02075 0.00520 -0.01675 131 3PY 0.00023 0.00671 0.00653 0.00185 -0.01205 132 3PZ 0.00037 -0.00780 -0.01655 0.00683 -0.00829 133 4XX 0.00016 0.00019 -0.00124 -0.00059 0.00046 134 4YY -0.00004 0.00147 0.00225 0.00007 -0.00044 135 4ZZ -0.00016 -0.00093 -0.00093 -0.00069 0.00056 136 4XY 0.00001 0.00185 0.00028 -0.00029 0.00033 137 4XZ 0.00002 0.00018 -0.00080 -0.00065 0.00111 138 4YZ 0.00000 0.00191 0.00131 -0.00017 0.00026 139 18 H 1S -0.00068 -0.01099 -0.00796 0.00022 0.00145 140 2S -0.00128 -0.00733 -0.00375 -0.00026 0.00686 141 19 O 1S 0.00004 0.00035 0.00089 0.00050 -0.00095 142 2S -0.00001 -0.00098 -0.00248 -0.00051 0.00129 143 2PX -0.00050 -0.00064 -0.01054 -0.00401 0.00755 144 2PY -0.00006 -0.00486 -0.00384 0.00083 -0.00185 145 2PZ -0.00048 0.00629 0.00258 -0.00484 0.00964 146 3S -0.00019 -0.00316 -0.00378 -0.00476 0.00890 147 3PX -0.00045 -0.00035 -0.00831 -0.00426 0.00889 148 3PY -0.00009 -0.00492 -0.00408 -0.00002 -0.00098 149 3PZ -0.00040 0.00532 0.00127 -0.00459 0.00786 150 4XX 0.00000 -0.00019 0.00010 0.00047 -0.00037 151 4YY 0.00001 0.00000 -0.00010 0.00027 -0.00032 152 4ZZ 0.00000 -0.00004 -0.00034 0.00023 0.00011 153 4XY -0.00002 0.00017 -0.00001 -0.00013 0.00025 154 4XZ 0.00001 0.00001 0.00008 0.00004 -0.00003 155 4YZ -0.00002 -0.00009 -0.00032 -0.00013 0.00003 156 20 O 1S -0.00004 0.00111 -0.00395 -0.00097 0.00159 157 2S 0.00003 -0.00243 0.00849 0.00296 -0.00408 158 2PX -0.00015 -0.00626 0.00214 0.00522 -0.01659 159 2PY -0.00016 -0.00396 0.01356 0.00080 0.00169 160 2PZ -0.00029 -0.00271 0.00210 0.00475 -0.01432 161 3S 0.00089 -0.00226 0.01632 0.00117 -0.00632 162 3PX -0.00004 -0.00366 0.00331 0.00237 -0.00986 163 3PY -0.00027 -0.00325 0.00781 0.00025 0.00307 164 3PZ -0.00060 -0.00043 0.00472 0.00260 -0.00813 165 4XX 0.00001 -0.00074 -0.00106 0.00037 -0.00078 166 4YY -0.00002 0.00088 -0.00042 0.00027 -0.00068 167 4ZZ -0.00007 0.00000 0.00012 -0.00009 0.00068 168 4XY -0.00003 0.00031 -0.00007 -0.00016 0.00072 169 4XZ -0.00001 0.00026 -0.00013 -0.00039 0.00067 170 4YZ 0.00002 0.00070 0.00051 -0.00036 0.00080 171 21 C 1S 0.00008 -0.00016 0.00049 -0.00081 0.00135 172 2S -0.00012 -0.00028 -0.00331 0.00178 -0.00413 173 2PX -0.00001 0.00123 -0.00391 0.00161 -0.00369 174 2PY 0.00000 0.00169 -0.00500 -0.00015 0.00017 175 2PZ -0.00018 0.00226 0.00621 0.00324 -0.00473 176 3S -0.00020 -0.00006 -0.00350 0.00372 -0.00425 177 3PX -0.00010 0.00065 -0.00148 -0.00056 0.00216 178 3PY 0.00001 -0.00099 -0.00243 -0.00121 0.00177 179 3PZ -0.00035 0.00056 0.00285 0.00242 -0.00313 180 4XX -0.00003 -0.00033 -0.00038 -0.00035 0.00008 181 4YY 0.00000 0.00004 0.00028 -0.00006 0.00021 182 4ZZ 0.00001 0.00016 0.00013 0.00017 -0.00017 183 4XY 0.00001 -0.00002 0.00007 0.00016 -0.00063 184 4XZ -0.00001 -0.00030 0.00000 -0.00009 0.00012 185 4YZ 0.00001 -0.00039 0.00050 0.00032 -0.00076 186 22 H 1S -0.00009 -0.00140 -0.00042 -0.00133 0.00170 187 2S -0.00023 -0.00092 0.00084 -0.00255 0.00440 188 23 H 1S 0.00005 0.00095 0.00160 0.00263 -0.00398 189 2S 0.00040 0.00107 0.00182 -0.00088 0.00101 71 72 73 74 75 71 2PX 0.40828 72 2PY -0.00484 0.38422 73 2PZ 0.00260 0.00452 0.38878 74 3S 0.00285 -0.00539 -0.02251 0.29974 75 3PX 0.18886 -0.00462 0.00019 -0.00244 0.08951 76 3PY 0.00019 0.17200 0.01101 -0.00436 -0.00267 77 3PZ -0.00764 0.00752 0.17908 -0.00262 -0.00666 78 4XX -0.01103 0.01050 0.01141 -0.00010 -0.00511 79 4YY 0.00004 -0.01545 -0.00083 -0.00537 0.00015 80 4ZZ 0.01017 0.00874 -0.00588 -0.00070 0.00464 81 4XY 0.01498 0.00013 0.00051 -0.00101 0.00710 82 4XZ 0.01465 -0.00049 0.01179 0.00188 0.00667 83 4YZ 0.00010 0.00033 0.01237 0.00258 -0.00015 84 10 H 1S 0.17748 0.08181 0.17889 0.08950 0.07947 85 2S 0.16324 0.06846 0.16099 0.01722 0.07432 86 11 H 1S -0.24299 0.09005 0.06735 0.08408 -0.11432 87 2S -0.21221 0.07563 0.05647 -0.00289 -0.09568 88 12 C 1S -0.00122 0.06361 0.00373 0.00711 -0.00085 89 2S 0.00306 -0.13070 -0.00754 0.00810 0.00217 90 2PX 0.00104 -0.00058 -0.00512 0.00094 -0.00599 91 2PY 0.00058 -0.31698 -0.00132 0.12751 -0.00085 92 2PZ -0.00512 0.00123 0.00871 -0.00395 0.00207 93 3S 0.00094 -0.12751 -0.00398 -0.02985 0.00081 94 3PX -0.00599 0.00085 0.00207 0.00081 -0.00681 95 3PY 0.00148 -0.14545 0.01645 0.03372 -0.00036 96 3PZ 0.00034 -0.00125 -0.00580 -0.01158 0.00324 97 4XX 0.00018 0.00742 0.00047 -0.00463 0.00049 98 4YY 0.00034 -0.00833 0.00035 0.01315 0.00012 99 4ZZ -0.00064 0.00846 0.00092 -0.00633 -0.00076 100 4XY 0.01184 -0.00041 0.00029 -0.00030 0.00567 101 4XZ -0.00060 -0.00064 -0.00063 -0.00109 -0.00056 102 4YZ 0.00042 0.00036 0.01073 0.00037 0.00013 103 13 H 1S 0.02251 0.02887 -0.00289 -0.02339 0.01554 104 2S 0.04434 0.05318 -0.00166 -0.00919 0.02372 105 14 H 1S -0.01898 0.02709 -0.01641 -0.03094 -0.00987 106 2S -0.03669 0.05280 -0.02342 -0.02879 -0.01930 107 15 C 1S 0.00048 -0.00148 -0.00540 0.00604 0.00258 108 2S -0.00013 0.00171 0.00694 -0.01058 -0.00155 109 2PX -0.00894 0.01077 0.02399 -0.04479 -0.01675 110 2PY 0.00325 -0.00474 0.00201 -0.01355 0.00261 111 2PZ -0.00566 0.00873 0.01934 -0.03680 -0.00560 112 3S -0.00696 0.00616 0.05483 -0.05198 -0.00689 113 3PX -0.01385 0.01447 0.00770 -0.02566 -0.01262 114 3PY 0.00972 -0.00609 0.01261 -0.00854 0.00651 115 3PZ -0.00705 0.00189 0.02835 -0.03313 -0.00748 116 4XX 0.00015 0.00063 -0.00043 -0.00071 0.00061 117 4YY 0.00035 -0.00079 0.00067 0.00020 -0.00016 118 4ZZ -0.00041 -0.00041 -0.00128 0.00187 -0.00024 119 4XY 0.00076 0.00008 0.00081 0.00001 0.00075 120 4XZ -0.00071 0.00015 -0.00032 -0.00192 -0.00081 121 4YZ 0.00033 -0.00029 0.00123 0.00002 -0.00038 122 16 H 1S 0.00087 -0.00170 -0.00048 0.01369 -0.00206 123 2S 0.00696 -0.00922 0.00109 0.01978 0.00143 124 17 C 1S -0.00288 -0.00055 -0.00238 0.00335 -0.00584 125 2S 0.00760 -0.00140 0.01265 -0.00888 0.00586 126 2PX 0.01481 0.00244 0.02122 -0.01018 0.01368 127 2PY 0.00314 0.00404 -0.00086 0.00585 0.00731 128 2PZ 0.01323 -0.00217 0.02402 -0.00611 -0.00551 129 3S 0.00757 0.01121 -0.01939 0.00946 0.00583 130 3PX 0.02351 0.00141 0.03713 -0.00937 0.01286 131 3PY 0.00654 -0.00014 0.02656 -0.01674 0.00519 132 3PZ 0.01180 0.00045 0.00351 0.00285 0.00182 133 4XX -0.00114 0.00007 0.00040 0.00242 -0.00189 134 4YY 0.00011 -0.00061 0.00112 -0.00194 0.00060 135 4ZZ -0.00023 -0.00037 -0.00266 0.00085 0.00066 136 4XY 0.00022 -0.00063 -0.00040 0.00242 0.00083 137 4XZ -0.00115 0.00017 -0.00260 0.00158 -0.00032 138 4YZ 0.00068 -0.00044 -0.00082 0.00102 0.00011 139 18 H 1S -0.00049 0.00211 -0.00313 -0.00308 0.00941 140 2S -0.00350 -0.00046 -0.01545 0.00278 0.00612 141 19 O 1S -0.00021 0.00021 0.00099 -0.00332 -0.00045 142 2S -0.00071 -0.00128 0.00010 0.01033 0.00002 143 2PX 0.00460 0.00150 -0.00984 0.02831 0.00430 144 2PY 0.00437 0.00437 -0.00090 0.00054 0.01130 145 2PZ -0.00318 -0.00207 -0.00686 0.01536 -0.01286 146 3S 0.00467 0.00259 -0.01722 0.01657 0.00329 147 3PX 0.00503 0.00062 -0.01337 0.02593 0.00337 148 3PY 0.00516 0.00466 -0.00306 0.00019 0.00922 149 3PZ -0.00272 -0.00307 -0.00532 0.01565 -0.00802 150 4XX -0.00112 -0.00001 0.00115 -0.00108 -0.00082 151 4YY -0.00009 -0.00005 0.00088 0.00010 0.00026 152 4ZZ -0.00004 -0.00034 0.00014 0.00049 0.00008 153 4XY 0.00019 -0.00006 -0.00049 0.00072 0.00023 154 4XZ -0.00029 0.00008 0.00005 -0.00040 -0.00022 155 4YZ 0.00007 -0.00021 0.00006 0.00008 -0.00051 156 20 O 1S -0.00536 0.00166 -0.00225 0.01102 -0.00319 157 2S 0.01250 -0.00437 0.00251 -0.02542 0.00691 158 2PX 0.02011 -0.00700 0.00936 -0.01736 0.01447 159 2PY 0.00514 -0.00554 -0.00174 -0.02973 0.01734 160 2PZ 0.02824 -0.01085 -0.00317 -0.02445 0.03555 161 3S 0.02769 -0.00662 0.02082 -0.03650 0.01580 162 3PX 0.01328 -0.00555 0.00814 -0.01095 0.01124 163 3PY -0.00113 -0.00427 -0.00708 -0.01719 0.00955 164 3PZ 0.01852 -0.00752 -0.00700 -0.01679 0.02407 165 4XX 0.00055 -0.00045 0.00006 -0.00053 0.00054 166 4YY 0.00066 -0.00006 -0.00031 0.00119 -0.00054 167 4ZZ -0.00160 0.00026 -0.00159 0.00009 -0.00061 168 4XY -0.00057 0.00050 -0.00086 0.00054 -0.00021 169 4XZ -0.00213 0.00042 -0.00058 0.00107 -0.00100 170 4YZ -0.00163 0.00053 0.00018 0.00148 -0.00170 171 21 C 1S -0.00374 0.00011 0.00055 0.00315 -0.00156 172 2S 0.01047 0.00054 -0.00091 -0.00341 0.00383 173 2PX 0.00642 0.00193 -0.00245 0.00037 0.00200 174 2PY 0.00276 0.00019 -0.00371 0.00628 0.00182 175 2PZ 0.02057 -0.00508 -0.00501 -0.01894 0.01105 176 3S 0.01295 -0.00121 -0.00310 -0.00242 0.00527 177 3PX -0.00849 -0.00455 -0.00157 0.00459 -0.00346 178 3PY -0.00455 0.00083 -0.00194 0.00326 0.00045 179 3PZ 0.02040 -0.00619 -0.00640 -0.00727 0.01113 180 4XX -0.00052 -0.00042 0.00005 0.00115 -0.00001 181 4YY -0.00021 -0.00024 -0.00017 -0.00038 -0.00001 182 4ZZ 0.00029 0.00042 -0.00017 -0.00062 -0.00020 183 4XY 0.00013 -0.00017 0.00025 -0.00107 0.00020 184 4XZ -0.00065 -0.00003 -0.00006 -0.00065 -0.00006 185 4YZ 0.00027 -0.00023 0.00053 -0.00180 0.00112 186 22 H 1S -0.00369 -0.00121 0.00096 0.00413 -0.00076 187 2S -0.00850 -0.00595 -0.00210 0.00766 -0.00135 188 23 H 1S 0.00815 0.00124 -0.00093 -0.01223 0.00314 189 2S -0.01237 0.00327 0.00551 -0.00780 -0.00795 76 77 78 79 80 76 3PY 0.08397 77 3PZ 0.00962 0.09196 78 4XX 0.00453 0.00526 0.00118 79 4YY -0.00608 -0.00101 -0.00036 0.00124 80 4ZZ 0.00345 -0.00209 -0.00016 -0.00034 0.00106 81 4XY 0.00021 -0.00018 -0.00038 0.00003 0.00036 82 4XZ 0.00037 0.00520 -0.00022 -0.00004 0.00031 83 4YZ 0.00089 0.00596 0.00041 -0.00023 -0.00018 84 10 H 1S 0.04324 0.08448 0.00246 -0.00561 0.00353 85 2S 0.03594 0.07346 0.00145 -0.00419 0.00436 86 11 H 1S 0.04007 0.03895 0.01171 -0.00522 -0.00646 87 2S 0.02896 0.02331 0.01089 -0.00318 -0.00635 88 12 C 1S 0.01350 0.00380 0.00216 -0.00696 0.00218 89 2S -0.04062 -0.01063 -0.00521 0.01203 -0.00498 90 2PX -0.00148 0.00035 0.00018 0.00034 -0.00064 91 2PY -0.14545 0.00121 -0.00742 0.00833 -0.00846 92 2PZ -0.01649 -0.00581 0.00046 0.00036 0.00091 93 3S -0.03371 -0.01158 -0.00463 0.01315 -0.00633 94 3PX 0.00036 0.00325 0.00048 0.00012 -0.00076 95 3PY -0.06395 0.00878 -0.00309 0.00455 -0.00447 96 3PZ -0.00879 -0.00784 -0.00035 0.00081 0.00072 97 4XX 0.00309 -0.00035 0.00015 -0.00015 0.00029 98 4YY -0.00455 0.00080 -0.00015 -0.00008 -0.00019 99 4ZZ 0.00447 0.00072 0.00029 -0.00019 0.00014 100 4XY 0.00012 -0.00026 -0.00033 0.00003 0.00028 101 4XZ -0.00065 -0.00033 0.00003 0.00012 -0.00007 102 4YZ 0.00028 0.00533 0.00032 -0.00010 -0.00017 103 13 H 1S 0.01810 -0.00808 -0.00097 0.00184 0.00158 104 2S 0.02507 -0.00410 -0.00070 -0.00150 0.00327 105 14 H 1S 0.01164 -0.01297 0.00041 0.00268 -0.00011 106 2S 0.01969 -0.01249 0.00189 -0.00044 0.00060 107 15 C 1S 0.00138 -0.00199 -0.00022 0.00000 0.00015 108 2S -0.00209 0.00236 0.00045 -0.00001 -0.00013 109 2PX 0.00889 0.02025 0.00135 -0.00089 0.00055 110 2PY -0.00200 0.00121 0.00025 0.00114 -0.00130 111 2PZ 0.01049 0.01454 0.00121 -0.00078 0.00068 112 3S 0.00400 0.02700 0.00190 0.00052 -0.00067 113 3PX 0.00947 0.00773 0.00126 -0.00072 -0.00002 114 3PY -0.00033 0.00281 -0.00021 0.00112 -0.00072 115 3PZ 0.00451 0.01806 0.00144 -0.00035 0.00002 116 4XX 0.00059 -0.00042 0.00000 0.00007 0.00004 117 4YY -0.00068 0.00073 0.00000 -0.00001 0.00000 118 4ZZ 0.00000 -0.00088 -0.00003 -0.00003 -0.00007 119 4XY -0.00019 0.00038 -0.00010 -0.00012 0.00028 120 4XZ 0.00041 0.00036 0.00005 0.00008 -0.00009 121 4YZ -0.00055 0.00082 -0.00008 -0.00013 0.00024 122 16 H 1S -0.00441 -0.00105 -0.00045 -0.00051 0.00060 123 2S -0.00667 -0.00085 -0.00092 -0.00037 0.00075 124 17 C 1S -0.00265 -0.00412 -0.00046 -0.00003 -0.00090 125 2S 0.00095 0.00855 0.00059 -0.00036 0.00063 126 2PX -0.00636 0.00668 -0.00160 -0.00260 0.00545 127 2PY 0.00528 -0.00236 0.00001 -0.00098 0.00142 128 2PZ -0.00774 0.01773 -0.00171 -0.00268 0.00478 129 3S 0.00072 -0.00381 -0.00020 -0.00232 0.00271 130 3PX -0.00419 0.01576 -0.00069 -0.00185 0.00364 131 3PY 0.00201 0.01227 0.00026 -0.00005 0.00076 132 3PZ -0.00395 0.00423 -0.00157 -0.00194 0.00350 133 4XX 0.00121 0.00315 -0.00016 -0.00008 0.00029 134 4YY -0.00043 -0.00011 0.00005 0.00012 -0.00012 135 4ZZ -0.00106 -0.00342 0.00003 0.00002 -0.00014 136 4XY -0.00057 -0.00082 -0.00009 0.00006 0.00003 137 4XZ 0.00008 -0.00051 -0.00018 -0.00005 0.00023 138 4YZ -0.00085 -0.00081 -0.00013 0.00004 0.00001 139 18 H 1S 0.00409 -0.00720 0.00106 0.00039 -0.00093 140 2S 0.00227 -0.01611 0.00076 0.00075 -0.00171 141 19 O 1S 0.00080 0.00172 0.00008 -0.00002 -0.00004 142 2S -0.00290 -0.00395 -0.00027 -0.00008 0.00005 143 2PX 0.00547 -0.00543 -0.00036 -0.00094 -0.00021 144 2PY 0.00286 -0.00824 -0.00012 -0.00039 0.00079 145 2PZ 0.00571 0.00173 -0.00001 -0.00072 -0.00165 146 3S -0.00199 -0.01488 -0.00070 0.00013 -0.00022 147 3PX 0.00407 -0.00691 -0.00060 -0.00057 -0.00019 148 3PY 0.00203 -0.00754 -0.00009 -0.00034 0.00060 149 3PZ 0.00284 0.00043 -0.00012 -0.00043 -0.00118 150 4XX 0.00012 0.00069 0.00007 -0.00005 -0.00003 151 4YY -0.00001 0.00025 0.00003 -0.00004 0.00004 152 4ZZ -0.00027 0.00035 -0.00004 0.00000 0.00005 153 4XY 0.00018 -0.00030 -0.00001 -0.00002 -0.00002 154 4XZ 0.00028 0.00015 0.00001 0.00001 -0.00002 155 4YZ 0.00011 0.00033 0.00000 -0.00006 -0.00001 156 20 O 1S 0.00238 0.00040 0.00000 -0.00008 0.00015 157 2S -0.00383 0.00084 0.00006 0.00025 -0.00025 158 2PX -0.01951 -0.03063 0.00174 0.00011 -0.00239 159 2PY -0.00823 -0.01331 -0.00042 0.00044 0.00002 160 2PZ -0.03442 -0.05852 0.00088 0.00066 -0.00208 161 3S -0.00654 0.00427 0.00011 0.00069 -0.00067 162 3PX -0.01425 -0.02324 0.00141 0.00042 -0.00225 163 3PY -0.00576 -0.01112 -0.00034 0.00030 -0.00003 164 3PZ -0.02350 -0.04385 0.00078 0.00072 -0.00203 165 4XX -0.00070 -0.00059 -0.00006 -0.00009 0.00016 166 4YY 0.00030 0.00060 -0.00003 0.00000 0.00004 167 4ZZ 0.00056 -0.00012 0.00005 0.00005 -0.00008 168 4XY 0.00084 0.00072 -0.00009 0.00000 0.00010 169 4XZ -0.00006 -0.00054 0.00002 -0.00004 -0.00001 170 4YZ 0.00150 0.00231 -0.00001 0.00002 0.00001 171 21 C 1S 0.00072 -0.00124 -0.00008 -0.00001 -0.00016 172 2S -0.00122 0.00028 -0.00015 -0.00024 0.00045 173 2PX 0.00103 0.00144 0.00005 -0.00025 0.00057 174 2PY -0.00065 -0.00032 -0.00016 0.00010 0.00022 175 2PZ -0.00568 0.00130 -0.00021 0.00022 0.00029 176 3S -0.00125 -0.00007 -0.00046 -0.00022 0.00068 177 3PX -0.00255 -0.00193 0.00024 0.00005 -0.00039 178 3PY -0.00032 -0.00204 0.00010 -0.00005 0.00003 179 3PZ -0.00627 -0.00754 -0.00035 0.00021 -0.00024 180 4XX -0.00058 -0.00164 0.00007 -0.00002 -0.00016 181 4YY -0.00027 -0.00041 -0.00002 0.00003 -0.00002 182 4ZZ 0.00080 0.00195 -0.00004 0.00001 0.00015 183 4XY -0.00083 -0.00076 0.00008 0.00004 -0.00008 184 4XZ -0.00033 -0.00052 0.00003 -0.00001 -0.00005 185 4YZ -0.00110 -0.00181 0.00007 0.00004 -0.00007 186 22 H 1S -0.00205 -0.00606 0.00015 0.00002 -0.00071 187 2S -0.00579 -0.01266 0.00038 0.00024 -0.00155 188 23 H 1S 0.00012 0.00734 0.00000 -0.00008 0.00067 189 2S 0.00470 0.01735 0.00030 -0.00003 0.00083 81 82 83 84 85 81 4XY 0.00092 82 4XZ 0.00051 0.00128 83 4YZ -0.00002 0.00041 0.00090 84 10 H 1S 0.00686 0.01291 0.00734 0.21401 85 2S 0.00688 0.01241 0.00649 0.17408 0.16112 86 11 H 1S -0.00960 -0.00735 0.00334 -0.02506 -0.05130 87 2S -0.00875 -0.00844 0.00219 -0.05272 -0.06033 88 12 C 1S 0.00000 0.00007 0.00026 0.00824 0.00990 89 2S 0.00001 -0.00011 -0.00014 -0.01972 -0.02047 90 2PX -0.01184 -0.00060 -0.00042 -0.01898 -0.03670 91 2PY -0.00041 0.00064 0.00036 -0.02709 -0.05279 92 2PZ -0.00029 -0.00063 -0.01073 -0.01642 -0.02343 93 3S 0.00030 -0.00109 -0.00037 -0.03094 -0.02878 94 3PX -0.00567 -0.00056 -0.00013 -0.00986 -0.01931 95 3PY 0.00012 0.00065 0.00029 -0.01164 -0.01969 96 3PZ 0.00026 -0.00033 -0.00533 -0.01297 -0.01250 97 4XX 0.00033 0.00003 -0.00032 0.00041 0.00190 98 4YY -0.00003 0.00012 0.00010 0.00267 -0.00045 99 4ZZ -0.00028 -0.00007 0.00017 -0.00011 0.00060 100 4XY 0.00087 0.00043 0.00004 0.00578 0.00596 101 4XZ -0.00043 -0.00011 -0.00036 -0.00211 -0.00299 102 4YZ 0.00004 0.00036 0.00064 0.00565 0.00522 103 13 H 1S 0.00785 0.00092 -0.00187 0.01709 0.03131 104 2S 0.00762 0.00207 -0.00153 0.03328 0.04347 105 14 H 1S -0.00577 -0.00212 -0.00565 -0.03223 -0.03678 106 2S -0.00596 -0.00299 -0.00522 -0.03678 -0.04006 107 15 C 1S -0.00010 -0.00016 -0.00021 -0.00112 -0.00330 108 2S -0.00001 0.00013 -0.00011 0.00057 0.00323 109 2PX -0.00051 0.00111 0.00047 0.00433 0.01804 110 2PY 0.00052 -0.00047 -0.00036 -0.00213 -0.00696 111 2PZ -0.00031 0.00095 0.00016 0.00273 0.01131 112 3S -0.00005 0.00172 0.00187 0.01573 0.02843 113 3PX -0.00098 -0.00035 -0.00063 -0.00495 -0.00010 114 3PY 0.00058 0.00062 0.00080 0.00758 0.00562 115 3PZ -0.00032 0.00074 0.00095 0.00472 0.01314 116 4XX 0.00006 -0.00007 0.00001 -0.00011 -0.00025 117 4YY 0.00001 0.00007 -0.00002 0.00037 0.00041 118 4ZZ -0.00003 -0.00009 0.00002 -0.00051 -0.00090 119 4XY -0.00001 0.00030 0.00007 0.00145 0.00262 120 4XZ 0.00004 -0.00009 0.00006 -0.00055 -0.00039 121 4YZ 0.00000 0.00033 0.00008 0.00144 0.00300 122 16 H 1S -0.00016 0.00061 0.00023 0.00331 0.00624 123 2S 0.00001 0.00125 0.00065 0.00704 0.00932 124 17 C 1S -0.00010 -0.00080 -0.00001 -0.00311 -0.00278 125 2S 0.00040 0.00173 0.00028 0.00858 0.01116 126 2PX 0.00005 0.00600 0.00085 0.02860 0.05416 127 2PY -0.00009 0.00091 0.00031 0.00460 0.00818 128 2PZ -0.00001 0.00695 0.00090 0.02872 0.05644 129 3S 0.00039 0.00120 -0.00147 0.00058 0.00656 130 3PX 0.00075 0.00547 0.00163 0.03476 0.05279 131 3PY 0.00047 0.00194 0.00107 0.01503 0.02261 132 3PZ 0.00018 0.00418 -0.00019 0.01563 0.03269 133 4XX -0.00009 0.00013 0.00011 0.00072 0.00060 134 4YY 0.00002 -0.00005 -0.00004 -0.00016 -0.00023 135 4ZZ 0.00000 -0.00012 -0.00008 -0.00139 -0.00127 136 4XY 0.00003 0.00005 -0.00005 0.00009 -0.00026 137 4XZ -0.00006 0.00000 -0.00004 -0.00068 -0.00038 138 4YZ 0.00000 0.00009 -0.00005 0.00021 0.00027 139 18 H 1S 0.00017 -0.00145 -0.00019 -0.00567 -0.01140 140 2S -0.00008 -0.00231 -0.00071 -0.01361 -0.02180 141 19 O 1S 0.00024 0.00011 0.00017 0.00064 0.00132 142 2S -0.00059 -0.00019 -0.00017 -0.00077 -0.00118 143 2PX -0.00072 -0.00023 -0.00090 -0.00189 -0.01401 144 2PY 0.00027 0.00035 0.00018 0.00337 0.00441 145 2PZ -0.00121 -0.00095 -0.00084 -0.00646 -0.01754 146 3S -0.00094 -0.00105 -0.00137 -0.00690 -0.01339 147 3PX -0.00049 -0.00035 -0.00090 -0.00273 -0.01329 148 3PY 0.00011 0.00013 -0.00013 0.00179 0.00171 149 3PZ -0.00089 -0.00071 -0.00052 -0.00459 -0.01326 150 4XX -0.00006 0.00001 0.00004 -0.00008 0.00032 151 4YY -0.00001 0.00006 0.00005 0.00042 0.00060 152 4ZZ 0.00004 0.00005 0.00007 0.00038 0.00057 153 4XY -0.00001 -0.00001 -0.00005 -0.00020 -0.00065 154 4XZ 0.00005 -0.00001 0.00001 -0.00003 0.00008 155 4YZ -0.00006 0.00003 -0.00001 0.00003 0.00001 156 20 O 1S -0.00015 -0.00029 -0.00002 -0.00208 -0.00291 157 2S 0.00040 0.00071 -0.00012 0.00338 0.00507 158 2PX 0.00070 0.00096 -0.00013 0.00267 0.00877 159 2PY -0.00011 -0.00043 -0.00033 -0.00076 0.00153 160 2PZ 0.00115 0.00066 -0.00092 -0.00018 0.01088 161 3S 0.00063 0.00143 0.00087 0.01619 0.01623 162 3PX 0.00044 0.00020 0.00011 0.00111 0.00288 163 3PY -0.00015 -0.00064 -0.00044 -0.00472 -0.00330 164 3PZ 0.00083 -0.00025 -0.00092 -0.00421 0.00124 165 4XX 0.00002 0.00021 -0.00002 0.00050 0.00164 166 4YY 0.00007 0.00002 -0.00004 -0.00006 -0.00002 167 4ZZ -0.00003 -0.00027 -0.00005 -0.00160 -0.00229 168 4XY -0.00003 -0.00007 -0.00003 -0.00023 -0.00052 169 4XZ -0.00008 -0.00006 -0.00002 -0.00073 -0.00056 170 4YZ -0.00005 -0.00010 0.00003 -0.00028 -0.00112 171 21 C 1S -0.00018 -0.00034 -0.00007 -0.00126 -0.00174 172 2S 0.00028 0.00069 0.00008 0.00368 0.00564 173 2PX 0.00040 0.00051 0.00009 0.00234 0.00424 174 2PY 0.00031 0.00025 -0.00023 0.00001 -0.00064 175 2PZ 0.00057 0.00058 -0.00013 0.00344 0.00349 176 3S 0.00025 0.00089 0.00008 0.00383 0.00623 177 3PX 0.00003 -0.00028 0.00000 -0.00402 -0.00355 178 3PY -0.00029 -0.00019 -0.00009 -0.00228 -0.00304 179 3PZ 0.00027 0.00030 -0.00027 0.00161 0.00024 180 4XX -0.00003 -0.00003 -0.00004 -0.00048 -0.00069 181 4YY -0.00002 -0.00003 -0.00001 -0.00020 -0.00002 182 4ZZ 0.00004 0.00003 0.00005 0.00036 0.00038 183 4XY 0.00004 0.00001 0.00000 -0.00018 0.00023 184 4XZ -0.00002 -0.00004 -0.00001 -0.00032 -0.00019 185 4YZ 0.00002 -0.00001 0.00002 -0.00007 0.00058 186 22 H 1S -0.00025 -0.00033 -0.00014 -0.00222 -0.00367 187 2S -0.00032 -0.00092 -0.00033 -0.00707 -0.01036 188 23 H 1S 0.00044 0.00052 0.00015 0.00328 0.00478 189 2S 0.00022 0.00011 0.00045 0.00122 0.00333 86 87 88 89 90 86 11 H 1S 0.21431 87 2S 0.17065 0.16972 88 12 C 1S 0.00795 0.00877 2.05103 89 2S -0.02052 -0.01911 -0.05344 0.30657 90 2PX 0.02251 0.04433 0.00098 -0.00067 0.40828 91 2PY -0.02887 -0.05318 0.00124 0.00049 0.00484 92 2PZ -0.00290 -0.00168 -0.00245 0.00006 0.00260 93 3S -0.02340 -0.00920 -0.18686 0.28117 0.00285 94 3PX 0.01554 0.02372 0.00302 -0.00502 0.18887 95 3PY -0.01810 -0.02507 -0.00048 -0.00276 -0.00019 96 3PZ -0.00808 -0.00411 -0.00204 0.01040 -0.00764 97 4XX -0.00097 -0.00070 -0.01778 -0.00010 -0.01104 98 4YY 0.00184 -0.00150 -0.01537 -0.00534 0.00003 99 4ZZ 0.00158 0.00327 -0.01624 -0.00354 0.01017 100 4XY -0.00785 -0.00762 -0.00041 0.00075 -0.01498 101 4XZ 0.00092 0.00207 -0.00043 0.00098 0.01464 102 4YZ 0.00187 0.00153 0.00139 -0.00261 -0.00010 103 13 H 1S -0.02888 -0.03604 -0.05220 0.10085 -0.24300 104 2S -0.03604 -0.04794 -0.00452 0.01854 -0.21222 105 14 H 1S 0.01708 0.03326 -0.05193 0.10013 0.17744 106 2S 0.03130 0.04345 -0.00709 0.02107 0.16321 107 15 C 1S -0.00033 -0.00255 -0.00166 0.00185 -0.00288 108 2S 0.00049 0.00507 0.00244 -0.00649 0.00760 109 2PX 0.00531 0.00055 0.00587 -0.01460 0.01481 110 2PY -0.00054 0.00827 -0.00086 0.00282 -0.00314 111 2PZ 0.00392 0.00386 0.00610 -0.01914 0.01324 112 3S 0.00629 0.01510 0.00490 0.00005 0.00756 113 3PX 0.01090 0.00991 0.00520 -0.01675 0.02351 114 3PY -0.00529 0.00194 -0.00185 0.01205 -0.00654 115 3PZ 0.00524 0.00595 0.00683 -0.00828 0.01180 116 4XX 0.00014 0.00087 -0.00059 0.00046 -0.00114 117 4YY -0.00034 -0.00083 0.00007 -0.00044 0.00011 118 4ZZ 0.00035 0.00002 -0.00069 0.00056 -0.00023 119 4XY -0.00095 -0.00128 0.00029 -0.00033 -0.00022 120 4XZ 0.00055 0.00062 -0.00065 0.00111 -0.00115 121 4YZ -0.00098 -0.00229 0.00017 -0.00026 -0.00068 122 16 H 1S -0.00278 -0.00868 0.00022 0.00145 -0.00049 123 2S -0.00790 -0.01528 -0.00026 0.00686 -0.00349 124 17 C 1S 0.00244 0.00265 -0.00163 0.00392 0.00048 125 2S -0.00534 -0.00610 0.00284 -0.00516 -0.00013 126 2PX -0.01911 -0.01967 0.00761 -0.01591 -0.00894 127 2PY -0.00271 -0.00517 -0.00024 -0.00164 -0.00325 128 2PZ -0.02191 -0.04718 0.00723 -0.01447 -0.00566 129 3S -0.00921 -0.01810 0.00802 -0.02611 -0.00697 130 3PX -0.01935 -0.02280 0.00443 -0.00681 -0.01385 131 3PY -0.00549 -0.00423 0.00038 0.00282 -0.00972 132 3PZ -0.01790 -0.03307 0.00571 -0.01612 -0.00705 133 4XX -0.00026 -0.00472 0.00002 0.00012 0.00015 134 4YY 0.00007 0.00179 -0.00009 0.00009 0.00035 135 4ZZ 0.00054 0.00263 -0.00049 0.00097 -0.00041 136 4XY -0.00039 -0.00036 -0.00019 0.00058 -0.00076 137 4XZ -0.00001 -0.00092 0.00008 0.00005 -0.00071 138 4YZ -0.00070 -0.00069 -0.00012 0.00081 -0.00033 139 18 H 1S 0.00528 0.01840 -0.00121 0.00054 0.00087 140 2S 0.00745 0.02165 -0.00249 0.00139 0.00696 141 19 O 1S -0.00020 -0.00152 -0.00097 0.00159 -0.00536 142 2S 0.00087 0.00354 0.00296 -0.00408 0.01250 143 2PX -0.00091 -0.00874 0.00522 -0.01659 0.02012 144 2PY -0.00319 0.00633 -0.00080 -0.00168 -0.00515 145 2PZ 0.00364 -0.00950 0.00475 -0.01432 0.02825 146 3S -0.00009 0.00770 0.00117 -0.00632 0.02770 147 3PX -0.00234 -0.00926 0.00237 -0.00987 0.01328 148 3PY -0.00277 0.00558 -0.00025 -0.00306 0.00112 149 3PZ 0.00252 -0.00673 0.00260 -0.00813 0.01853 150 4XX 0.00074 0.00060 0.00037 -0.00078 0.00055 151 4YY 0.00002 0.00007 0.00027 -0.00068 0.00066 152 4ZZ -0.00015 -0.00060 -0.00009 0.00068 -0.00160 153 4XY -0.00008 -0.00024 0.00016 -0.00073 0.00057 154 4XZ 0.00007 -0.00017 -0.00039 0.00067 -0.00213 155 4YZ -0.00004 -0.00068 0.00036 -0.00080 0.00163 156 20 O 1S 0.00265 -0.00420 0.00050 -0.00095 -0.00022 157 2S -0.00693 0.00485 -0.00051 0.00129 -0.00071 158 2PX -0.00252 0.03468 -0.00401 0.00756 0.00461 159 2PY -0.00125 0.03471 -0.00083 0.00185 -0.00437 160 2PZ -0.00617 0.06719 -0.00484 0.00964 -0.00318 161 3S -0.01144 0.01370 -0.00476 0.00890 0.00468 162 3PX 0.00100 0.03137 -0.00426 0.00889 0.00504 163 3PY 0.00103 0.02362 0.00002 0.00098 -0.00516 164 3PZ -0.00278 0.05004 -0.00459 0.00786 -0.00272 165 4XX -0.00091 -0.00058 0.00047 -0.00037 -0.00112 166 4YY -0.00092 -0.00286 0.00027 -0.00032 -0.00009 167 4ZZ 0.00113 0.00097 0.00023 0.00011 -0.00004 168 4XY -0.00002 -0.00099 0.00013 -0.00025 -0.00019 169 4XZ 0.00135 0.00108 0.00004 -0.00003 -0.00029 170 4YZ 0.00066 -0.00229 0.00013 -0.00003 -0.00007 171 21 C 1S 0.00217 0.00277 -0.00081 0.00135 -0.00374 172 2S -0.00641 -0.00710 0.00178 -0.00413 0.01047 173 2PX -0.00360 -0.00869 0.00161 -0.00369 0.00642 174 2PY -0.00212 -0.00625 0.00015 -0.00017 -0.00277 175 2PZ -0.00926 -0.00231 0.00324 -0.00473 0.02058 176 3S -0.00932 -0.01087 0.00372 -0.00425 0.01295 177 3PX 0.00512 0.00297 -0.00056 0.00216 -0.00849 178 3PY 0.00370 0.00520 0.00121 -0.00177 0.00455 179 3PZ -0.01038 0.00052 0.00242 -0.00313 0.02041 180 4XX 0.00057 0.00159 -0.00035 0.00008 -0.00052 181 4YY 0.00003 0.00074 -0.00006 0.00021 -0.00021 182 4ZZ -0.00045 -0.00227 0.00017 -0.00017 0.00028 183 4XY 0.00028 0.00144 -0.00016 0.00063 -0.00013 184 4XZ 0.00058 0.00143 -0.00009 0.00012 -0.00065 185 4YZ 0.00027 0.00335 -0.00032 0.00076 -0.00027 186 22 H 1S 0.00287 0.00816 -0.00133 0.00170 -0.00369 187 2S 0.00713 0.01719 -0.00255 0.00440 -0.00850 188 23 H 1S -0.00381 -0.00700 0.00263 -0.00398 0.00815 189 2S 0.00701 -0.00718 -0.00088 0.00101 -0.01238 91 92 93 94 95 91 2PY 0.38422 92 2PZ -0.00452 0.38878 93 3S 0.00539 -0.02251 0.29973 94 3PX 0.00462 0.00019 -0.00245 0.08952 95 3PY 0.17200 -0.01101 0.00436 0.00268 0.08397 96 3PZ -0.00752 0.17908 -0.00261 -0.00666 -0.00962 97 4XX -0.01050 0.01140 -0.00010 -0.00512 -0.00453 98 4YY 0.01545 -0.00082 -0.00537 0.00015 0.00608 99 4ZZ -0.00874 -0.00588 -0.00070 0.00464 -0.00345 100 4XY 0.00013 -0.00051 0.00101 -0.00711 0.00021 101 4XZ 0.00049 0.01180 0.00188 0.00667 -0.00038 102 4YZ 0.00034 -0.01237 -0.00259 0.00015 0.00089 103 13 H 1S -0.09007 0.06727 0.08408 -0.11434 -0.04008 104 2S -0.07565 0.05640 -0.00290 -0.09568 -0.02896 105 14 H 1S -0.08186 0.17890 0.08950 0.07945 -0.04326 106 2S -0.06850 0.16101 0.01722 0.07431 -0.03595 107 15 C 1S 0.00055 -0.00237 0.00335 -0.00584 0.00265 108 2S 0.00140 0.01265 -0.00887 0.00586 -0.00095 109 2PX -0.00245 0.02122 -0.01017 0.01368 0.00637 110 2PY 0.00404 0.00085 -0.00583 -0.00731 0.00528 111 2PZ 0.00217 0.02402 -0.00609 -0.00551 0.00774 112 3S -0.01120 -0.01940 0.00948 0.00583 -0.00071 113 3PX -0.00142 0.03712 -0.00936 0.01286 0.00419 114 3PY -0.00013 -0.02655 0.01674 -0.00519 0.00201 115 3PZ -0.00045 0.00350 0.00288 0.00182 0.00396 116 4XX -0.00007 0.00039 0.00243 -0.00189 -0.00121 117 4YY 0.00061 0.00112 -0.00194 0.00060 0.00043 118 4ZZ 0.00037 -0.00266 0.00085 0.00066 0.00106 119 4XY -0.00063 0.00040 -0.00242 -0.00083 -0.00057 120 4XZ -0.00017 -0.00260 0.00158 -0.00032 -0.00007 121 4YZ -0.00044 0.00082 -0.00102 -0.00011 -0.00085 122 16 H 1S -0.00211 -0.00312 -0.00310 0.00941 -0.00408 123 2S 0.00047 -0.01544 0.00276 0.00612 -0.00227 124 17 C 1S 0.00148 -0.00540 0.00604 0.00258 -0.00138 125 2S -0.00171 0.00694 -0.01057 -0.00155 0.00208 126 2PX -0.01079 0.02398 -0.04477 -0.01675 -0.00890 127 2PY -0.00474 -0.00202 0.01354 -0.00261 -0.00201 128 2PZ -0.00874 0.01933 -0.03678 -0.00560 -0.01049 129 3S -0.00619 0.05482 -0.05197 -0.00689 -0.00401 130 3PX -0.01448 0.00769 -0.02564 -0.01262 -0.00947 131 3PY -0.00608 -0.01262 0.00855 -0.00651 -0.00032 132 3PZ -0.00190 0.02834 -0.03311 -0.00749 -0.00451 133 4XX -0.00063 -0.00043 -0.00071 0.00061 -0.00059 134 4YY 0.00079 0.00067 0.00020 -0.00016 0.00068 135 4ZZ 0.00041 -0.00128 0.00187 -0.00024 0.00000 136 4XY 0.00008 -0.00081 -0.00001 -0.00075 -0.00019 137 4XZ -0.00015 -0.00032 -0.00192 -0.00081 -0.00041 138 4YZ -0.00029 -0.00123 -0.00002 0.00038 -0.00055 139 18 H 1S 0.00170 -0.00048 0.01369 -0.00206 0.00441 140 2S 0.00922 0.00110 0.01977 0.00143 0.00667 141 19 O 1S -0.00166 -0.00225 0.01102 -0.00320 -0.00238 142 2S 0.00437 0.00251 -0.02542 0.00692 0.00383 143 2PX 0.00700 0.00936 -0.01738 0.01448 0.01952 144 2PY -0.00555 0.00174 0.02974 -0.01736 -0.00824 145 2PZ 0.01085 -0.00317 -0.02447 0.03556 0.03444 146 3S 0.00662 0.02082 -0.03650 0.01581 0.00654 147 3PX 0.00555 0.00814 -0.01097 0.01125 0.01425 148 3PY -0.00428 0.00708 0.01719 -0.00956 -0.00577 149 3PZ 0.00752 -0.00700 -0.01680 0.02408 0.02351 150 4XX 0.00045 0.00006 -0.00053 0.00054 0.00070 151 4YY 0.00006 -0.00031 0.00119 -0.00055 -0.00030 152 4ZZ -0.00026 -0.00159 0.00009 -0.00061 -0.00056 153 4XY 0.00050 0.00086 -0.00054 0.00021 0.00084 154 4XZ -0.00042 -0.00058 0.00107 -0.00100 0.00006 155 4YZ 0.00053 -0.00018 -0.00148 0.00170 0.00150 156 20 O 1S -0.00021 0.00099 -0.00332 -0.00045 -0.00080 157 2S 0.00128 0.00010 0.01033 0.00002 0.00290 158 2PX -0.00150 -0.00984 0.02830 0.00430 -0.00547 159 2PY 0.00437 0.00090 -0.00053 -0.01129 0.00285 160 2PZ 0.00207 -0.00685 0.01535 -0.01286 -0.00572 161 3S -0.00258 -0.01722 0.01657 0.00330 0.00199 162 3PX -0.00062 -0.01337 0.02591 0.00337 -0.00407 163 3PY 0.00466 0.00306 -0.00019 -0.00922 0.00203 164 3PZ 0.00307 -0.00531 0.01564 -0.00802 -0.00285 165 4XX 0.00001 0.00115 -0.00108 -0.00082 -0.00012 166 4YY 0.00005 0.00088 0.00010 0.00026 0.00002 167 4ZZ 0.00034 0.00014 0.00049 0.00008 0.00027 168 4XY -0.00006 0.00049 -0.00072 -0.00023 0.00018 169 4XZ -0.00008 0.00005 -0.00040 -0.00022 -0.00028 170 4YZ -0.00021 -0.00006 -0.00008 0.00051 0.00011 171 21 C 1S -0.00011 0.00055 0.00314 -0.00156 -0.00072 172 2S -0.00054 -0.00090 -0.00341 0.00383 0.00122 173 2PX -0.00193 -0.00245 0.00037 0.00199 -0.00103 174 2PY 0.00019 0.00371 -0.00628 -0.00182 -0.00065 175 2PZ 0.00508 -0.00500 -0.01893 0.01105 0.00568 176 3S 0.00121 -0.00309 -0.00243 0.00527 0.00125 177 3PX 0.00455 -0.00157 0.00458 -0.00347 0.00255 178 3PY 0.00083 0.00195 -0.00326 -0.00046 -0.00032 179 3PZ 0.00619 -0.00639 -0.00727 0.01114 0.00628 180 4XX 0.00042 0.00005 0.00115 -0.00001 0.00058 181 4YY 0.00024 -0.00017 -0.00038 -0.00001 0.00027 182 4ZZ -0.00042 -0.00017 -0.00062 -0.00021 -0.00080 183 4XY -0.00017 -0.00025 0.00107 -0.00020 -0.00083 184 4XZ 0.00003 -0.00006 -0.00065 -0.00006 0.00033 185 4YZ -0.00023 -0.00053 0.00180 -0.00112 -0.00110 186 22 H 1S 0.00121 0.00096 0.00413 -0.00076 0.00205 187 2S 0.00595 -0.00209 0.00765 -0.00134 0.00579 188 23 H 1S -0.00124 -0.00093 -0.01223 0.00314 -0.00012 189 2S -0.00327 0.00551 -0.00779 -0.00796 -0.00470 96 97 98 99 100 96 3PZ 0.09196 97 4XX 0.00525 0.00118 98 4YY -0.00100 -0.00036 0.00124 99 4ZZ -0.00209 -0.00016 -0.00034 0.00106 100 4XY 0.00018 0.00038 -0.00003 -0.00036 0.00092 101 4XZ 0.00520 -0.00022 -0.00004 0.00031 -0.00051 102 4YZ -0.00596 -0.00041 0.00023 0.00018 -0.00002 103 13 H 1S 0.03892 0.01171 -0.00521 -0.00647 0.00961 104 2S 0.02328 0.01090 -0.00318 -0.00636 0.00876 105 14 H 1S 0.08449 0.00246 -0.00561 0.00353 -0.00686 106 2S 0.07346 0.00144 -0.00419 0.00437 -0.00689 107 15 C 1S -0.00412 -0.00046 -0.00003 -0.00090 0.00010 108 2S 0.00855 0.00059 -0.00036 0.00063 -0.00040 109 2PX 0.00667 -0.00160 -0.00259 0.00545 -0.00005 110 2PY 0.00235 -0.00001 0.00098 -0.00142 -0.00009 111 2PZ 0.01772 -0.00171 -0.00268 0.00478 0.00001 112 3S -0.00381 -0.00020 -0.00232 0.00271 -0.00039 113 3PX 0.01575 -0.00069 -0.00185 0.00364 -0.00075 114 3PY -0.01227 -0.00026 0.00005 -0.00076 0.00047 115 3PZ 0.00423 -0.00158 -0.00194 0.00350 -0.00019 116 4XX 0.00315 -0.00016 -0.00008 0.00029 0.00009 117 4YY -0.00011 0.00005 0.00012 -0.00012 -0.00002 118 4ZZ -0.00342 0.00003 0.00002 -0.00014 0.00000 119 4XY 0.00082 0.00009 -0.00006 -0.00003 0.00003 120 4XZ -0.00051 -0.00018 -0.00005 0.00023 0.00006 121 4YZ 0.00081 0.00013 -0.00004 -0.00001 0.00000 122 16 H 1S -0.00719 0.00106 0.00039 -0.00093 -0.00017 123 2S -0.01609 0.00076 0.00075 -0.00171 0.00008 124 17 C 1S -0.00199 -0.00022 0.00000 0.00015 0.00010 125 2S 0.00236 0.00045 -0.00001 -0.00013 0.00001 126 2PX 0.02024 0.00135 -0.00089 0.00055 0.00051 127 2PY -0.00120 -0.00025 -0.00114 0.00129 0.00052 128 2PZ 0.01453 0.00121 -0.00078 0.00068 0.00031 129 3S 0.02700 0.00190 0.00052 -0.00067 0.00005 130 3PX 0.00772 0.00126 -0.00072 -0.00002 0.00098 131 3PY -0.00281 0.00021 -0.00112 0.00072 0.00058 132 3PZ 0.01805 0.00144 -0.00035 0.00002 0.00032 133 4XX -0.00042 0.00000 0.00007 0.00004 -0.00006 134 4YY 0.00073 0.00000 -0.00001 0.00000 -0.00001 135 4ZZ -0.00088 -0.00003 -0.00003 -0.00007 0.00003 136 4XY -0.00038 0.00010 0.00012 -0.00028 -0.00001 137 4XZ 0.00036 0.00005 0.00008 -0.00009 -0.00004 138 4YZ -0.00082 0.00009 0.00013 -0.00024 0.00000 139 18 H 1S -0.00104 -0.00045 -0.00051 0.00060 0.00016 140 2S -0.00084 -0.00092 -0.00037 0.00075 -0.00001 141 19 O 1S 0.00040 0.00000 -0.00008 0.00015 0.00015 142 2S 0.00084 0.00006 0.00025 -0.00025 -0.00040 143 2PX -0.03062 0.00174 0.00011 -0.00239 -0.00070 144 2PY 0.01333 0.00042 -0.00044 -0.00002 -0.00011 145 2PZ -0.05850 0.00088 0.00066 -0.00208 -0.00115 146 3S 0.00426 0.00011 0.00069 -0.00067 -0.00063 147 3PX -0.02323 0.00141 0.00042 -0.00225 -0.00045 148 3PY 0.01113 0.00034 -0.00030 0.00003 -0.00015 149 3PZ -0.04384 0.00078 0.00072 -0.00203 -0.00084 150 4XX -0.00059 -0.00006 -0.00009 0.00016 -0.00002 151 4YY 0.00060 -0.00003 0.00000 0.00004 -0.00007 152 4ZZ -0.00012 0.00005 0.00005 -0.00009 0.00003 153 4XY -0.00072 0.00009 0.00000 -0.00010 -0.00003 154 4XZ -0.00054 0.00002 -0.00004 -0.00001 0.00008 155 4YZ -0.00231 0.00001 -0.00002 -0.00001 -0.00005 156 20 O 1S 0.00172 0.00008 -0.00002 -0.00004 -0.00024 157 2S -0.00395 -0.00027 -0.00008 0.00005 0.00059 158 2PX -0.00543 -0.00036 -0.00094 -0.00021 0.00072 159 2PY 0.00823 0.00012 0.00039 -0.00079 0.00027 160 2PZ 0.00173 -0.00001 -0.00072 -0.00165 0.00121 161 3S -0.01489 -0.00070 0.00013 -0.00022 0.00094 162 3PX -0.00691 -0.00060 -0.00057 -0.00019 0.00049 163 3PY 0.00753 0.00009 0.00034 -0.00060 0.00011 164 3PZ 0.00044 -0.00012 -0.00043 -0.00118 0.00089 165 4XX 0.00069 0.00007 -0.00005 -0.00003 0.00006 166 4YY 0.00025 0.00003 -0.00004 0.00004 0.00001 167 4ZZ 0.00035 -0.00004 0.00000 0.00005 -0.00004 168 4XY 0.00030 0.00001 0.00002 0.00002 -0.00001 169 4XZ 0.00015 0.00001 0.00001 -0.00002 -0.00005 170 4YZ -0.00033 0.00000 0.00006 0.00001 -0.00006 171 21 C 1S -0.00124 -0.00008 -0.00001 -0.00016 0.00018 172 2S 0.00028 -0.00015 -0.00024 0.00045 -0.00028 173 2PX 0.00144 0.00005 -0.00025 0.00057 -0.00040 174 2PY 0.00031 0.00016 -0.00010 -0.00022 0.00031 175 2PZ 0.00131 -0.00021 0.00022 0.00029 -0.00057 176 3S -0.00006 -0.00046 -0.00022 0.00068 -0.00025 177 3PX -0.00192 0.00024 0.00005 -0.00039 -0.00003 178 3PY 0.00204 -0.00010 0.00005 -0.00003 -0.00029 179 3PZ -0.00753 -0.00035 0.00021 -0.00024 -0.00027 180 4XX -0.00164 0.00007 -0.00002 -0.00016 0.00003 181 4YY -0.00041 -0.00002 0.00003 -0.00002 0.00002 182 4ZZ 0.00195 -0.00004 0.00001 0.00015 -0.00004 183 4XY 0.00076 -0.00008 -0.00004 0.00008 0.00004 184 4XZ -0.00052 0.00003 -0.00001 -0.00005 0.00002 185 4YZ 0.00181 -0.00007 -0.00004 0.00007 0.00002 186 22 H 1S -0.00607 0.00015 0.00002 -0.00071 0.00025 187 2S -0.01266 0.00038 0.00024 -0.00155 0.00032 188 23 H 1S 0.00734 0.00000 -0.00008 0.00067 -0.00044 189 2S 0.01734 0.00030 -0.00003 0.00083 -0.00022 101 102 103 104 105 101 4XZ 0.00128 102 4YZ -0.00041 0.00090 103 13 H 1S -0.00734 -0.00334 0.21431 104 2S -0.00844 -0.00219 0.17065 0.16973 105 14 H 1S 0.01291 -0.00734 -0.02506 -0.05273 0.21401 106 2S 0.01241 -0.00649 -0.05130 -0.06033 0.17408 107 15 C 1S -0.00080 0.00001 0.00244 0.00265 -0.00311 108 2S 0.00173 -0.00028 -0.00534 -0.00611 0.00857 109 2PX 0.00600 -0.00085 -0.01912 -0.01968 0.02860 110 2PY -0.00091 0.00031 0.00271 0.00519 -0.00460 111 2PZ 0.00695 -0.00090 -0.02192 -0.04721 0.02872 112 3S 0.00120 0.00146 -0.00921 -0.01810 0.00057 113 3PX 0.00547 -0.00163 -0.01936 -0.02282 0.03476 114 3PY -0.00194 0.00107 0.00550 0.00424 -0.01503 115 3PZ 0.00418 0.00018 -0.01791 -0.03309 0.01563 116 4XX 0.00013 -0.00011 -0.00026 -0.00473 0.00072 117 4YY -0.00005 0.00004 0.00007 0.00179 -0.00016 118 4ZZ -0.00012 0.00008 0.00054 0.00263 -0.00139 119 4XY -0.00005 -0.00005 0.00039 0.00036 -0.00009 120 4XZ 0.00000 0.00004 -0.00001 -0.00092 -0.00068 121 4YZ -0.00009 -0.00005 0.00070 0.00069 -0.00021 122 16 H 1S -0.00145 0.00019 0.00528 0.01840 -0.00567 123 2S -0.00231 0.00071 0.00745 0.02165 -0.01361 124 17 C 1S -0.00016 0.00021 -0.00033 -0.00255 -0.00112 125 2S 0.00013 0.00011 0.00048 0.00507 0.00057 126 2PX 0.00111 -0.00047 0.00531 0.00054 0.00433 127 2PY 0.00047 -0.00036 0.00054 -0.00827 0.00213 128 2PZ 0.00096 -0.00016 0.00392 0.00385 0.00273 129 3S 0.00172 -0.00187 0.00629 0.01510 0.01573 130 3PX -0.00035 0.00063 0.01089 0.00991 -0.00495 131 3PY -0.00062 0.00080 0.00529 -0.00195 -0.00758 132 3PZ 0.00074 -0.00095 0.00524 0.00595 0.00472 133 4XX -0.00007 -0.00001 0.00014 0.00088 -0.00011 134 4YY 0.00007 0.00002 -0.00034 -0.00083 0.00037 135 4ZZ -0.00009 -0.00002 0.00035 0.00003 -0.00051 136 4XY -0.00030 0.00007 0.00095 0.00128 -0.00145 137 4XZ -0.00009 -0.00006 0.00055 0.00062 -0.00055 138 4YZ -0.00033 0.00008 0.00098 0.00229 -0.00144 139 18 H 1S 0.00061 -0.00023 -0.00279 -0.00868 0.00331 140 2S 0.00125 -0.00066 -0.00790 -0.01529 0.00705 141 19 O 1S -0.00029 0.00002 0.00265 -0.00420 -0.00208 142 2S 0.00071 0.00012 -0.00693 0.00485 0.00338 143 2PX 0.00096 0.00013 -0.00252 0.03469 0.00267 144 2PY 0.00043 -0.00033 0.00125 -0.03474 0.00076 145 2PZ 0.00066 0.00092 -0.00616 0.06720 -0.00019 146 3S 0.00143 -0.00087 -0.01145 0.01370 0.01619 147 3PX 0.00020 -0.00011 0.00101 0.03138 0.00111 148 3PY 0.00064 -0.00044 -0.00103 -0.02364 0.00472 149 3PZ -0.00025 0.00092 -0.00278 0.05005 -0.00422 150 4XX 0.00021 0.00002 -0.00091 -0.00058 0.00050 151 4YY 0.00002 0.00004 -0.00092 -0.00286 -0.00006 152 4ZZ -0.00027 0.00005 0.00113 0.00098 -0.00160 153 4XY 0.00007 -0.00002 0.00002 0.00099 0.00023 154 4XZ -0.00006 0.00002 0.00135 0.00108 -0.00073 155 4YZ 0.00010 0.00003 -0.00066 0.00229 0.00028 156 20 O 1S 0.00011 -0.00017 -0.00020 -0.00152 0.00064 157 2S -0.00019 0.00017 0.00087 0.00354 -0.00077 158 2PX -0.00023 0.00090 -0.00092 -0.00874 -0.00188 159 2PY -0.00035 0.00018 0.00319 -0.00632 -0.00337 160 2PZ -0.00095 0.00085 0.00364 -0.00950 -0.00646 161 3S -0.00105 0.00136 -0.00010 0.00770 -0.00690 162 3PX -0.00035 0.00090 -0.00234 -0.00926 -0.00273 163 3PY -0.00013 -0.00013 0.00277 -0.00558 -0.00179 164 3PZ -0.00071 0.00052 0.00252 -0.00673 -0.00459 165 4XX 0.00001 -0.00004 0.00074 0.00060 -0.00008 166 4YY 0.00006 -0.00005 0.00002 0.00007 0.00042 167 4ZZ 0.00005 -0.00007 -0.00014 -0.00060 0.00038 168 4XY 0.00001 -0.00005 0.00008 0.00024 0.00020 169 4XZ -0.00001 -0.00001 0.00007 -0.00017 -0.00003 170 4YZ -0.00003 -0.00001 0.00004 0.00068 -0.00003 171 21 C 1S -0.00034 0.00007 0.00217 0.00277 -0.00126 172 2S 0.00069 -0.00008 -0.00641 -0.00711 0.00368 173 2PX 0.00051 -0.00009 -0.00360 -0.00870 0.00234 174 2PY -0.00025 -0.00023 0.00212 0.00626 -0.00001 175 2PZ 0.00058 0.00013 -0.00926 -0.00231 0.00345 176 3S 0.00089 -0.00008 -0.00932 -0.01087 0.00383 177 3PX -0.00028 0.00000 0.00512 0.00297 -0.00402 178 3PY 0.00019 -0.00009 -0.00370 -0.00520 0.00228 179 3PZ 0.00030 0.00027 -0.01038 0.00052 0.00162 180 4XX -0.00003 0.00004 0.00057 0.00160 -0.00048 181 4YY -0.00003 0.00001 0.00003 0.00075 -0.00020 182 4ZZ 0.00003 -0.00005 -0.00045 -0.00227 0.00036 183 4XY -0.00001 0.00000 -0.00028 -0.00144 0.00018 184 4XZ -0.00004 0.00001 0.00058 0.00143 -0.00032 185 4YZ 0.00001 0.00002 -0.00027 -0.00335 0.00007 186 22 H 1S -0.00033 0.00014 0.00287 0.00816 -0.00222 187 2S -0.00092 0.00033 0.00713 0.01720 -0.00707 188 23 H 1S 0.00052 -0.00015 -0.00382 -0.00700 0.00328 189 2S 0.00011 -0.00045 0.00701 -0.00719 0.00122 106 107 108 109 110 106 2S 0.16113 107 15 C 1S -0.00278 2.05308 108 2S 0.01115 -0.06286 0.33270 109 2PX 0.05415 -0.01221 0.01740 0.34243 110 2PY -0.00819 -0.00372 0.01185 -0.03437 0.42494 111 2PZ 0.05645 0.01529 -0.02933 0.02635 0.03327 112 3S 0.00654 -0.18261 0.28150 0.10221 -0.01674 113 3PX 0.05279 -0.01806 0.03505 0.16258 -0.02862 114 3PY -0.02261 -0.00865 0.00450 -0.04636 0.11589 115 3PZ 0.03269 -0.00183 -0.01476 0.08399 -0.00915 116 4XX 0.00060 -0.01179 -0.01278 -0.01049 -0.00659 117 4YY -0.00023 -0.01784 0.00092 0.00642 0.01079 118 4ZZ -0.00127 -0.01474 -0.00577 0.00130 -0.01203 119 4XY 0.00026 0.00063 -0.00128 -0.00332 -0.00291 120 4XZ -0.00038 0.00317 -0.00735 0.01278 0.00826 121 4YZ -0.00027 -0.00409 0.00842 0.01118 -0.00859 122 16 H 1S -0.01140 -0.06851 0.13599 0.06402 -0.17718 123 2S -0.02180 -0.02081 0.04575 0.03225 -0.14030 124 17 C 1S -0.00330 0.01947 -0.04185 -0.01190 -0.07991 125 2S 0.00324 -0.04185 0.07829 0.02252 0.16555 126 2PX 0.01804 -0.01189 0.02251 0.13933 -0.01332 127 2PY 0.00695 0.07992 -0.16555 0.01330 -0.31505 128 2PZ 0.01131 -0.00835 0.01262 0.08232 -0.03457 129 3S 0.02843 0.00447 0.03068 0.06027 0.13729 130 3PX -0.00010 -0.00319 0.00211 0.07699 -0.01202 131 3PY -0.00563 -0.00223 -0.01576 0.02452 -0.09666 132 3PZ 0.01314 -0.00318 0.01452 0.05482 -0.03553 133 4XX -0.00025 0.00334 -0.00791 -0.00044 -0.01281 134 4YY 0.00041 -0.00650 0.01154 -0.00054 0.00792 135 4ZZ -0.00090 0.00325 -0.00764 -0.00158 -0.01034 136 4XY -0.00262 0.00006 -0.00035 -0.01189 0.00434 137 4XZ -0.00039 -0.00133 0.00298 0.00038 0.00383 138 4YZ -0.00300 -0.00093 0.00185 -0.00492 -0.00030 139 18 H 1S 0.00624 0.01584 -0.03400 -0.00133 -0.04277 140 2S 0.00933 0.02042 -0.03840 -0.01783 -0.06078 141 19 O 1S -0.00291 0.00440 -0.00607 0.02847 0.00712 142 2S 0.00508 -0.00853 0.00924 -0.06320 -0.02708 143 2PX 0.00878 -0.05347 0.11537 -0.17427 -0.10193 144 2PY -0.00153 -0.02654 0.05420 -0.10048 -0.03213 145 2PZ 0.01088 0.03344 -0.06344 0.17952 0.06463 146 3S 0.01624 0.01975 -0.03003 -0.06685 0.04146 147 3PX 0.00289 -0.02331 0.05692 -0.11107 -0.05496 148 3PY 0.00330 -0.01934 0.04009 -0.07239 -0.02492 149 3PZ 0.00123 0.01437 -0.02655 0.08927 0.03617 150 4XX 0.00164 -0.00354 0.00549 0.00642 -0.00750 151 4YY -0.00002 -0.00154 0.00155 -0.00412 -0.00065 152 4ZZ -0.00229 -0.00135 0.00111 -0.00187 -0.00511 153 4XY 0.00052 -0.00430 0.00854 -0.00882 0.00299 154 4XZ -0.00056 0.00485 -0.00793 0.00431 0.00345 155 4YZ 0.00112 0.00278 -0.00509 0.01112 -0.00356 156 20 O 1S 0.00132 -0.00170 0.00532 -0.00451 0.00147 157 2S -0.00118 0.00688 -0.01586 0.01402 -0.01567 158 2PX -0.01401 0.01129 -0.02511 -0.06113 -0.03316 159 2PY -0.00440 -0.02311 0.05556 -0.02367 0.05519 160 2PZ -0.01753 0.00027 0.00154 -0.03611 0.04724 161 3S -0.01339 -0.00348 -0.00640 0.01627 0.02768 162 3PX -0.01329 0.00844 -0.01943 -0.05374 -0.01920 163 3PY -0.00170 -0.01444 0.03835 -0.01764 0.03846 164 3PZ -0.01325 0.00114 -0.00086 -0.03429 0.03683 165 4XX 0.00032 0.00025 -0.00003 0.00308 -0.00381 166 4YY 0.00060 0.00137 -0.00222 0.00102 -0.00243 167 4ZZ 0.00057 0.00094 -0.00098 -0.00183 -0.00240 168 4XY 0.00065 0.00075 -0.00160 0.00269 -0.00545 169 4XZ 0.00008 -0.00001 -0.00002 0.00105 -0.00122 170 4YZ -0.00001 -0.00085 0.00185 -0.00176 0.00417 171 21 C 1S -0.00174 -0.00286 0.00527 -0.00857 0.00963 172 2S 0.00564 0.00551 -0.01464 0.02218 -0.03011 173 2PX 0.00423 0.01075 -0.02712 0.02420 -0.01864 174 2PY 0.00064 -0.00155 0.00327 -0.03588 -0.01883 175 2PZ 0.00350 -0.00789 0.01967 -0.03154 0.01823 176 3S 0.00623 0.00916 -0.01113 0.03638 -0.04923 177 3PX -0.00355 0.00767 -0.01352 0.01042 -0.01853 178 3PY 0.00304 -0.00142 0.00370 -0.03143 -0.00047 179 3PZ 0.00024 -0.00599 0.01157 -0.02420 0.01696 180 4XX -0.00069 -0.00117 0.00290 -0.00675 -0.00177 181 4YY -0.00002 0.00193 -0.00431 0.00949 0.00461 182 4ZZ 0.00038 -0.00105 0.00196 -0.00517 -0.00182 183 4XY -0.00023 0.00082 -0.00192 0.00034 -0.00096 184 4XZ -0.00020 -0.00009 -0.00007 0.00371 -0.00017 185 4YZ -0.00058 -0.00005 0.00007 -0.00362 0.00214 186 22 H 1S -0.00367 -0.00384 0.01011 -0.01754 -0.00516 187 2S -0.01036 -0.00333 0.01010 -0.03701 0.00500 188 23 H 1S 0.00478 -0.00336 0.00713 -0.01368 -0.00473 189 2S 0.00333 -0.00355 0.00663 -0.01013 0.00000 111 112 113 114 115 111 2PZ 0.38143 112 3S -0.01916 0.32940 113 3PX 0.07936 0.06615 0.10160 114 3PY -0.01846 0.00400 -0.02837 0.05234 115 3PZ 0.17269 0.02104 0.06437 -0.02387 0.10253 116 4XX 0.01242 -0.01158 -0.00265 -0.00137 0.00385 117 4YY -0.00730 0.00189 0.00013 0.00109 -0.00151 118 4ZZ -0.00264 -0.00443 0.00103 -0.00183 -0.00151 119 4XY 0.01003 -0.00206 -0.00044 -0.00252 0.00360 120 4XZ -0.00500 -0.00171 0.00273 0.00090 0.00123 121 4YZ -0.01035 0.01344 0.00365 -0.00194 -0.00119 122 16 H 1S -0.18648 0.14125 0.01565 -0.03924 -0.06366 123 2S -0.16007 0.05178 -0.00640 -0.02550 -0.05870 124 17 C 1S -0.00838 0.00447 -0.00319 0.00223 -0.00318 125 2S 0.01267 0.03068 0.00211 0.01575 0.01453 126 2PX 0.08232 0.06025 0.07700 -0.02452 0.05482 127 2PY 0.03446 -0.13732 0.01201 -0.09665 0.03549 128 2PZ 0.11033 0.06697 0.03716 -0.02007 0.07882 129 3S 0.06702 -0.02459 0.02892 -0.01949 0.04039 130 3PX 0.03716 0.02890 0.03154 -0.01678 0.03473 131 3PY 0.02004 0.01947 0.01678 -0.02383 0.02160 132 3PZ 0.07882 0.04038 0.03473 -0.02162 0.04846 133 4XX -0.00104 -0.00497 -0.00092 -0.00321 0.00048 134 4YY 0.00118 0.01064 0.00166 0.00294 -0.00086 135 4ZZ -0.00327 -0.00808 -0.00174 -0.00223 -0.00152 136 4XY -0.00404 -0.00620 -0.00660 0.00174 -0.00466 137 4XZ 0.00036 0.00370 0.00086 0.00145 -0.00129 138 4YZ -0.01424 0.00374 -0.00513 0.00333 -0.00743 139 18 H 1S 0.00685 -0.06446 0.00541 -0.02859 0.00464 140 2S 0.01603 -0.06540 0.00315 -0.02281 0.00251 141 19 O 1S -0.02255 0.03805 -0.00245 0.01032 0.01024 142 2S 0.05292 -0.09415 0.01027 -0.02200 -0.02383 143 2PX 0.17489 0.03581 -0.03096 -0.01254 0.03240 144 2PY 0.06916 0.06629 0.00313 0.04639 0.00302 145 2PZ -0.08389 -0.06661 0.07833 0.02620 -0.03390 146 3S 0.04156 -0.16170 0.00497 -0.00944 -0.04391 147 3PX 0.08189 0.00105 -0.02337 -0.00018 0.00304 148 3PY 0.05184 0.04607 0.00135 0.02972 0.00272 149 3PZ -0.05849 -0.03823 0.03830 0.01832 -0.02958 150 4XX 0.00693 0.00724 0.00463 -0.00315 0.00482 151 4YY 0.00357 0.00302 0.00024 0.00240 0.00102 152 4ZZ -0.00886 0.00320 -0.00317 -0.00102 -0.00316 153 4XY 0.00990 0.00472 -0.00136 0.00194 0.00193 154 4XZ 0.00099 -0.00513 0.00078 0.00074 0.00172 155 4YZ -0.00224 -0.00371 0.00503 -0.00150 0.00018 156 20 O 1S 0.00849 -0.02092 0.00014 -0.01010 -0.00033 157 2S -0.01511 0.04334 0.00050 0.01707 0.00563 158 2PX -0.03706 -0.05119 -0.05258 0.00480 -0.01408 159 2PY 0.01516 0.12318 0.01701 0.06513 -0.02409 160 2PZ -0.04995 -0.01934 -0.03403 0.03692 -0.04135 161 3S -0.06712 0.07283 -0.00581 0.05142 -0.02525 162 3PX -0.04041 -0.04118 -0.04438 0.00787 -0.01920 163 3PY 0.01587 0.08176 0.01214 0.04292 -0.01373 164 3PZ -0.04197 -0.01975 -0.02812 0.02799 -0.03336 165 4XX 0.00442 0.00101 0.00154 -0.00211 0.00297 166 4YY 0.00138 -0.00652 -0.00010 -0.00345 0.00205 167 4ZZ 0.00014 -0.00173 -0.00020 -0.00135 -0.00035 168 4XY 0.00043 0.00092 0.00255 -0.00148 0.00006 169 4XZ -0.00015 0.00037 0.00089 0.00016 -0.00045 170 4YZ 0.00010 0.00063 -0.00064 0.00049 0.00008 171 21 C 1S 0.00325 0.00621 -0.00552 0.00655 0.00075 172 2S -0.00699 -0.00846 0.01060 -0.01475 0.00350 173 2PX -0.02245 -0.03895 0.01582 -0.00209 -0.00872 174 2PY 0.03849 -0.01682 -0.03003 -0.02936 0.02478 175 2PZ 0.00447 0.03285 -0.02374 0.00003 -0.00321 176 3S -0.01052 0.00493 0.01256 -0.02170 0.00914 177 3PX -0.01602 -0.01858 0.00433 -0.00228 -0.00598 178 3PY 0.03306 -0.00775 -0.01064 -0.00456 0.00934 179 3PZ -0.00492 0.00392 -0.01437 0.00796 -0.01066 180 4XX 0.00522 -0.00077 -0.00230 0.00068 0.00102 181 4YY -0.00668 -0.00356 0.00419 0.00169 -0.00291 182 4ZZ 0.00335 0.00368 -0.00238 -0.00183 0.00200 183 4XY -0.00274 -0.00093 -0.00328 -0.00219 0.00140 184 4XZ -0.00217 0.00219 0.00069 -0.00038 -0.00041 185 4YZ -0.00096 0.00003 -0.00071 0.00251 -0.00199 186 22 H 1S 0.01064 0.00619 -0.00875 -0.00012 0.00252 187 2S -0.00068 -0.00749 -0.01893 0.01028 -0.01067 188 23 H 1S 0.00980 0.02135 -0.00979 -0.00998 0.00640 189 2S 0.02426 0.02863 -0.00540 -0.01227 0.01651 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00092 0.00121 118 4ZZ -0.00043 -0.00023 0.00151 119 4XY 0.00064 -0.00014 -0.00033 0.00141 120 4XZ -0.00027 0.00074 -0.00046 -0.00037 0.00146 121 4YZ -0.00069 0.00015 -0.00001 -0.00049 0.00020 122 16 H 1S -0.01053 0.00072 0.00518 -0.00526 -0.00249 123 2S -0.00785 0.00042 0.00637 -0.00509 -0.00158 124 17 C 1S 0.00334 -0.00650 0.00325 -0.00006 -0.00133 125 2S -0.00791 0.01154 -0.00764 0.00035 0.00298 126 2PX -0.00044 -0.00054 -0.00157 0.01189 0.00038 127 2PY 0.01281 -0.00792 0.01034 0.00434 -0.00383 128 2PZ -0.00103 0.00117 -0.00326 0.00404 0.00036 129 3S -0.00497 0.01064 -0.00809 0.00620 0.00370 130 3PX -0.00091 0.00166 -0.00173 0.00660 0.00086 131 3PY 0.00321 -0.00294 0.00223 0.00174 -0.00145 132 3PZ 0.00048 -0.00086 -0.00152 0.00466 -0.00129 133 4XX 0.00057 -0.00030 0.00023 -0.00013 -0.00003 134 4YY -0.00030 -0.00002 -0.00030 0.00011 -0.00020 135 4ZZ 0.00023 -0.00030 0.00070 0.00001 -0.00016 136 4XY 0.00013 -0.00011 -0.00001 0.00016 -0.00047 137 4XZ -0.00003 -0.00020 -0.00016 0.00047 -0.00001 138 4YZ -0.00053 0.00017 0.00010 -0.00046 0.00008 139 18 H 1S 0.00320 0.00010 0.00218 0.00196 -0.00101 140 2S 0.00456 -0.00304 0.00384 0.00050 -0.00235 141 19 O 1S -0.00380 0.00174 -0.00040 -0.00464 0.00465 142 2S 0.00965 -0.00386 0.00135 0.01079 -0.01076 143 2PX -0.00926 -0.00793 0.01377 0.00504 -0.02055 144 2PY 0.01151 -0.01636 0.00470 -0.01090 -0.01335 145 2PZ -0.02944 0.00706 0.02204 -0.01435 0.00272 146 3S 0.00849 -0.00073 0.00095 0.01393 -0.00880 147 3PX -0.00801 -0.00475 0.01100 0.00071 -0.01288 148 3PY 0.00762 -0.01098 0.00318 -0.00640 -0.00931 149 3PZ -0.02055 0.00451 0.01521 -0.00859 -0.00008 150 4XX -0.00042 -0.00005 0.00026 0.00023 -0.00014 151 4YY 0.00064 -0.00084 0.00020 -0.00083 -0.00062 152 4ZZ -0.00002 0.00015 -0.00022 0.00003 0.00023 153 4XY -0.00042 -0.00031 0.00030 0.00009 -0.00091 154 4XZ -0.00011 0.00016 0.00012 -0.00021 0.00050 155 4YZ -0.00104 0.00020 0.00103 -0.00037 0.00016 156 20 O 1S 0.00008 -0.00110 -0.00032 0.00021 -0.00015 157 2S 0.00015 0.00171 0.00077 -0.00017 0.00040 158 2PX -0.00183 0.00287 0.00245 -0.00613 -0.00038 159 2PY 0.00105 -0.00510 -0.00004 0.00393 -0.00138 160 2PZ -0.00139 -0.00216 0.00311 0.00420 -0.00223 161 3S -0.00282 0.00275 0.00137 -0.00078 0.00185 162 3PX -0.00099 0.00135 0.00204 -0.00443 -0.00032 163 3PY 0.00126 -0.00388 -0.00021 0.00247 -0.00119 164 3PZ -0.00097 -0.00100 0.00215 0.00168 -0.00131 165 4XX -0.00008 0.00010 0.00000 0.00043 -0.00002 166 4YY 0.00013 0.00005 0.00001 -0.00038 -0.00010 167 4ZZ 0.00032 -0.00010 -0.00006 0.00007 0.00006 168 4XY 0.00033 -0.00039 0.00018 0.00031 -0.00007 169 4XZ 0.00004 -0.00026 0.00014 0.00002 -0.00007 170 4YZ -0.00012 0.00028 -0.00032 -0.00034 0.00012 171 21 C 1S -0.00034 0.00082 -0.00094 0.00144 -0.00014 172 2S 0.00101 -0.00206 0.00202 -0.00332 -0.00031 173 2PX 0.00386 -0.00327 0.00309 -0.00434 -0.00285 174 2PY -0.00007 0.00247 -0.00304 0.00830 -0.00027 175 2PZ -0.00211 0.00263 -0.00300 0.00414 0.00257 176 3S -0.00068 -0.00156 0.00194 -0.00322 0.00130 177 3PX 0.00004 -0.00139 0.00271 -0.00244 -0.00116 178 3PY 0.00196 -0.00098 -0.00094 0.00367 -0.00181 179 3PZ -0.00337 0.00123 0.00121 0.00075 -0.00052 180 4XX -0.00065 -0.00013 0.00065 -0.00022 -0.00064 181 4YY -0.00010 0.00016 0.00024 0.00002 0.00026 182 4ZZ 0.00093 -0.00007 -0.00095 0.00034 0.00019 183 4XY 0.00014 0.00051 -0.00063 0.00040 0.00057 184 4XZ -0.00060 0.00030 0.00011 0.00024 0.00040 185 4YZ 0.00100 -0.00047 -0.00035 -0.00007 -0.00010 186 22 H 1S -0.00343 0.00043 0.00163 -0.00034 -0.00048 187 2S -0.00560 0.00067 0.00389 -0.00086 -0.00190 188 23 H 1S 0.00209 0.00027 -0.00326 0.00170 0.00169 189 2S 0.00606 0.00021 -0.00693 0.00342 0.00275 121 122 123 124 125 121 4YZ 0.00192 122 16 H 1S 0.01445 0.21684 123 2S 0.01087 0.15543 0.12977 124 17 C 1S 0.00092 0.01584 0.02042 2.05308 125 2S -0.00184 -0.03400 -0.03840 -0.06286 0.33270 126 2PX 0.00492 -0.00133 -0.01783 -0.01221 0.01740 127 2PY -0.00031 0.04277 0.06079 0.00372 -0.01184 128 2PZ 0.01424 0.00687 0.01605 0.01529 -0.02933 129 3S -0.00374 -0.06446 -0.06540 -0.18263 0.28151 130 3PX 0.00513 0.00540 0.00315 -0.01806 0.03506 131 3PY 0.00333 0.02859 0.02281 0.00865 -0.00449 132 3PZ 0.00743 0.00464 0.00252 -0.00183 -0.01476 133 4XX 0.00053 0.00320 0.00456 -0.01179 -0.01278 134 4YY -0.00017 0.00010 -0.00304 -0.01784 0.00092 135 4ZZ -0.00010 0.00218 0.00384 -0.01474 -0.00577 136 4XY -0.00046 -0.00196 -0.00050 -0.00063 0.00128 137 4XZ -0.00008 -0.00102 -0.00235 0.00316 -0.00735 138 4YZ 0.00070 0.00703 0.00678 0.00409 -0.00842 139 18 H 1S -0.00703 -0.01063 -0.01046 -0.06851 0.13599 140 2S -0.00679 -0.01046 -0.00725 -0.02081 0.04575 141 19 O 1S 0.00411 0.01447 0.01558 -0.00170 0.00532 142 2S -0.00899 -0.02977 -0.03195 0.00688 -0.01586 143 2PX -0.01302 -0.01123 -0.01325 0.01129 -0.02512 144 2PY 0.00897 0.01621 0.01995 0.02311 -0.05556 145 2PZ 0.00013 0.04511 0.07786 0.00028 0.00152 146 3S -0.01632 -0.07662 -0.06609 -0.00348 -0.00640 147 3PX -0.00807 -0.00076 0.00486 0.00844 -0.01943 148 3PY 0.00496 0.00845 0.00928 0.01444 -0.03835 149 3PZ -0.00120 0.03448 0.05421 0.00115 -0.00088 150 4XX 0.00011 0.00295 0.00082 0.00025 -0.00003 151 4YY 0.00076 0.00083 0.00169 0.00137 -0.00221 152 4ZZ 0.00040 0.00551 0.00393 0.00094 -0.00098 153 4XY -0.00052 -0.00289 -0.00304 -0.00075 0.00160 154 4XZ -0.00007 -0.00380 -0.00136 -0.00001 -0.00001 155 4YZ 0.00014 0.00318 0.00426 0.00085 -0.00185 156 20 O 1S -0.00028 -0.00306 -0.00342 0.00440 -0.00607 157 2S 0.00062 0.00877 0.00947 -0.00853 0.00924 158 2PX 0.00463 0.02394 0.05278 -0.05347 0.11537 159 2PY -0.00315 -0.02104 -0.04565 0.02653 -0.05418 160 2PZ -0.00355 -0.01038 0.00021 0.03345 -0.06345 161 3S 0.00011 0.01592 0.01444 0.01975 -0.03003 162 3PX 0.00183 0.01604 0.03621 -0.02331 0.05692 163 3PY -0.00210 -0.01676 -0.03326 0.01933 -0.04008 164 3PZ -0.00292 -0.00765 0.00107 0.01437 -0.02656 165 4XX 0.00020 0.00023 0.00020 -0.00354 0.00549 166 4YY 0.00032 0.00070 0.00210 -0.00154 0.00155 167 4ZZ -0.00041 -0.00082 -0.00164 -0.00135 0.00111 168 4XY -0.00021 0.00086 -0.00055 0.00430 -0.00854 169 4XZ 0.00018 0.00087 0.00075 0.00485 -0.00793 170 4YZ 0.00000 -0.00082 -0.00089 -0.00278 0.00509 171 21 C 1S -0.00161 -0.00715 -0.00724 -0.00286 0.00527 172 2S 0.00379 0.01920 0.02009 0.00551 -0.01464 173 2PX 0.00469 0.02101 0.02945 0.01075 -0.02711 174 2PY -0.00711 -0.02878 -0.03086 0.00156 -0.00327 175 2PZ -0.00333 -0.01805 -0.03036 -0.00789 0.01967 176 3S 0.00454 0.03015 0.02688 0.00916 -0.01113 177 3PX 0.00194 0.01587 0.02051 0.00767 -0.01352 178 3PY -0.00374 -0.02332 -0.02319 0.00142 -0.00370 179 3PZ -0.00251 -0.00585 -0.00576 -0.00599 0.01156 180 4XX -0.00027 -0.00030 0.00136 -0.00117 0.00290 181 4YY 0.00001 0.00069 0.00106 0.00193 -0.00431 182 4ZZ 0.00011 -0.00179 -0.00354 -0.00105 0.00196 183 4XY -0.00007 -0.00046 -0.00047 -0.00082 0.00192 184 4XZ -0.00019 0.00077 -0.00008 -0.00009 -0.00007 185 4YZ 0.00031 -0.00104 -0.00100 0.00005 -0.00007 186 22 H 1S -0.00154 -0.00031 0.00210 -0.00384 0.01011 187 2S -0.00332 -0.00120 0.00684 -0.00333 0.01009 188 23 H 1S 0.00035 -0.00723 -0.01712 -0.00336 0.00713 189 2S 0.00072 -0.01837 -0.03207 -0.00356 0.00663 126 127 128 129 130 126 2PX 0.34243 127 2PY 0.03436 0.42495 128 2PZ 0.02636 -0.03326 0.38142 129 3S 0.10223 0.01675 -0.01914 0.32944 130 3PX 0.16257 0.02861 0.07935 0.06616 0.10159 131 3PY 0.04635 0.11590 0.01845 -0.00399 0.02836 132 3PZ 0.08399 0.00913 0.17268 0.02105 0.06436 133 4XX -0.01049 0.00658 0.01242 -0.01158 -0.00265 134 4YY 0.00642 -0.01079 -0.00731 0.00190 0.00013 135 4ZZ 0.00130 0.01203 -0.00263 -0.00443 0.00102 136 4XY 0.00331 -0.00291 -0.01003 0.00205 0.00044 137 4XZ 0.01278 -0.00826 -0.00500 -0.00171 0.00273 138 4YZ -0.01117 -0.00860 0.01035 -0.01344 -0.00365 139 18 H 1S 0.06399 0.17721 -0.18646 0.14125 0.01564 140 2S 0.03223 0.14033 -0.16005 0.05177 -0.00640 141 19 O 1S -0.00451 -0.00148 0.00849 -0.02092 0.00014 142 2S 0.01402 0.01567 -0.01511 0.04335 0.00050 143 2PX -0.06113 0.03317 -0.03705 -0.05119 -0.05258 144 2PY 0.02368 0.05521 -0.01513 -0.12318 -0.01699 145 2PZ -0.03611 -0.04722 -0.04997 -0.01937 -0.03404 146 3S 0.01627 -0.02766 -0.06712 0.07282 -0.00581 147 3PX -0.05374 0.01921 -0.04040 -0.04118 -0.04438 148 3PY 0.01765 0.03847 -0.01585 -0.08176 -0.01213 149 3PZ -0.03429 -0.03681 -0.04198 -0.01978 -0.02813 150 4XX 0.00308 0.00381 0.00442 0.00101 0.00154 151 4YY 0.00102 0.00242 0.00138 -0.00652 -0.00010 152 4ZZ -0.00183 0.00240 0.00014 -0.00173 -0.00020 153 4XY -0.00269 -0.00545 -0.00043 -0.00092 -0.00255 154 4XZ 0.00105 0.00122 -0.00015 0.00037 0.00089 155 4YZ 0.00176 0.00417 -0.00010 -0.00063 0.00064 156 20 O 1S 0.02847 -0.00711 -0.02255 0.03805 -0.00244 157 2S -0.06320 0.02707 0.05292 -0.09416 0.01027 158 2PX -0.17429 0.10188 0.17490 0.03582 -0.03096 159 2PY 0.10043 -0.03209 -0.06914 -0.06628 -0.00314 160 2PZ 0.17953 -0.06461 -0.08393 -0.06662 0.07833 161 3S -0.06686 -0.04148 0.04154 -0.16172 0.00496 162 3PX -0.11109 0.05493 0.08190 0.00105 -0.02337 163 3PY 0.07237 -0.02490 -0.05183 -0.04606 -0.00136 164 3PZ 0.08928 -0.03616 -0.05852 -0.03824 0.03830 165 4XX 0.00642 0.00750 0.00693 0.00724 0.00463 166 4YY -0.00411 0.00065 0.00357 0.00302 0.00024 167 4ZZ -0.00187 0.00511 -0.00886 0.00321 -0.00317 168 4XY 0.00882 0.00299 -0.00990 -0.00472 0.00136 169 4XZ 0.00432 -0.00345 0.00099 -0.00513 0.00078 170 4YZ -0.01112 -0.00357 0.00224 0.00371 -0.00503 171 21 C 1S -0.00857 -0.00963 0.00325 0.00621 -0.00552 172 2S 0.02218 0.03012 -0.00698 -0.00846 0.01060 173 2PX 0.02420 0.01865 -0.02245 -0.03894 0.01582 174 2PY 0.03589 -0.01882 -0.03850 0.01681 0.03004 175 2PZ -0.03153 -0.01824 0.00445 0.03285 -0.02374 176 3S 0.03638 0.04923 -0.01051 0.00494 0.01256 177 3PX 0.01042 0.01854 -0.01601 -0.01858 0.00433 178 3PY 0.03144 -0.00046 -0.03306 0.00774 0.01064 179 3PZ -0.02419 -0.01696 -0.00493 0.00393 -0.01437 180 4XX -0.00675 0.00176 0.00522 -0.00077 -0.00230 181 4YY 0.00949 -0.00461 -0.00668 -0.00356 0.00419 182 4ZZ -0.00517 0.00182 0.00335 0.00368 -0.00238 183 4XY -0.00034 -0.00096 0.00274 0.00093 0.00328 184 4XZ 0.00371 0.00017 -0.00217 0.00219 0.00069 185 4YZ 0.00362 0.00213 0.00096 -0.00003 0.00071 186 22 H 1S -0.01754 0.00516 0.01064 0.00619 -0.00876 187 2S -0.03701 -0.00500 -0.00068 -0.00750 -0.01893 188 23 H 1S -0.01368 0.00473 0.00980 0.02135 -0.00979 189 2S -0.01012 -0.00001 0.02427 0.02863 -0.00540 131 132 133 134 135 131 3PY 0.05234 132 3PZ 0.02386 0.10253 133 4XX 0.00137 0.00385 0.00284 134 4YY -0.00109 -0.00151 -0.00092 0.00121 135 4ZZ 0.00183 -0.00151 -0.00043 -0.00023 0.00151 136 4XY -0.00252 -0.00360 -0.00064 0.00014 0.00033 137 4XZ -0.00090 0.00123 -0.00027 0.00074 -0.00046 138 4YZ -0.00194 0.00119 0.00069 -0.00015 0.00001 139 18 H 1S 0.03925 -0.06365 -0.01053 0.00072 0.00518 140 2S 0.02552 -0.05870 -0.00785 0.00042 0.00637 141 19 O 1S 0.01010 -0.00033 0.00008 -0.00110 -0.00032 142 2S -0.01707 0.00562 0.00015 0.00171 0.00077 143 2PX -0.00480 -0.01407 -0.00182 0.00288 0.00245 144 2PY 0.06514 0.02412 -0.00105 0.00510 0.00004 145 2PZ -0.03691 -0.04134 -0.00139 -0.00216 0.00311 146 3S -0.05142 -0.02526 -0.00282 0.00275 0.00137 147 3PX -0.00787 -0.01919 -0.00099 0.00135 0.00204 148 3PY 0.04292 0.01375 -0.00126 0.00388 0.00021 149 3PZ -0.02798 -0.03336 -0.00097 -0.00100 0.00215 150 4XX 0.00211 0.00297 -0.00008 0.00010 0.00000 151 4YY 0.00345 0.00205 0.00013 0.00005 0.00001 152 4ZZ 0.00135 -0.00035 0.00032 -0.00010 -0.00006 153 4XY -0.00148 -0.00006 -0.00033 0.00039 -0.00018 154 4XZ -0.00016 -0.00045 0.00004 -0.00026 0.00014 155 4YZ 0.00049 -0.00007 0.00012 -0.00028 0.00032 156 20 O 1S -0.01032 0.01024 -0.00380 0.00174 -0.00040 157 2S 0.02200 -0.02383 0.00965 -0.00386 0.00135 158 2PX 0.01253 0.03241 -0.00926 -0.00794 0.01377 159 2PY 0.04639 -0.00300 -0.01151 0.01636 -0.00470 160 2PZ -0.02619 -0.03390 -0.02945 0.00706 0.02204 161 3S 0.00945 -0.04391 0.00849 -0.00074 0.00096 162 3PX 0.00017 0.00305 -0.00801 -0.00475 0.01100 163 3PY 0.02972 -0.00270 -0.00762 0.01098 -0.00318 164 3PZ -0.01831 -0.02958 -0.02055 0.00451 0.01521 165 4XX 0.00315 0.00482 -0.00042 -0.00005 0.00026 166 4YY -0.00240 0.00102 0.00064 -0.00084 0.00020 167 4ZZ 0.00102 -0.00316 -0.00002 0.00015 -0.00022 168 4XY 0.00194 -0.00193 0.00042 0.00031 -0.00030 169 4XZ -0.00074 0.00172 -0.00011 0.00016 0.00012 170 4YZ -0.00150 -0.00018 0.00104 -0.00020 -0.00103 171 21 C 1S -0.00655 0.00075 -0.00034 0.00082 -0.00094 172 2S 0.01475 0.00350 0.00101 -0.00206 0.00202 173 2PX 0.00210 -0.00871 0.00386 -0.00327 0.00308 174 2PY -0.02935 -0.02478 0.00007 -0.00247 0.00304 175 2PZ -0.00004 -0.00321 -0.00211 0.00263 -0.00300 176 3S 0.02170 0.00915 -0.00068 -0.00155 0.00194 177 3PX 0.00228 -0.00598 0.00004 -0.00139 0.00271 178 3PY -0.00456 -0.00934 -0.00196 0.00098 0.00094 179 3PZ -0.00796 -0.01066 -0.00337 0.00123 0.00121 180 4XX -0.00068 0.00102 -0.00065 -0.00013 0.00065 181 4YY -0.00169 -0.00291 -0.00010 0.00016 0.00024 182 4ZZ 0.00184 0.00200 0.00093 -0.00007 -0.00095 183 4XY -0.00219 -0.00140 -0.00014 -0.00051 0.00063 184 4XZ 0.00038 -0.00041 -0.00060 0.00030 0.00011 185 4YZ 0.00251 0.00199 -0.00100 0.00047 0.00035 186 22 H 1S 0.00012 0.00252 -0.00343 0.00043 0.00164 187 2S -0.01028 -0.01067 -0.00560 0.00067 0.00389 188 23 H 1S 0.00998 0.00641 0.00209 0.00027 -0.00326 189 2S 0.01228 0.01651 0.00606 0.00021 -0.00693 136 137 138 139 140 136 4XY 0.00141 137 4XZ 0.00037 0.00146 138 4YZ -0.00049 -0.00020 0.00192 139 18 H 1S 0.00526 -0.00249 -0.01446 0.21684 140 2S 0.00508 -0.00158 -0.01087 0.15544 0.12978 141 19 O 1S -0.00021 -0.00015 0.00028 -0.00306 -0.00342 142 2S 0.00017 0.00040 -0.00062 0.00877 0.00947 143 2PX 0.00613 -0.00037 -0.00463 0.02394 0.05278 144 2PY 0.00393 0.00138 -0.00315 0.02104 0.04564 145 2PZ -0.00420 -0.00223 0.00355 -0.01037 0.00023 146 3S 0.00078 0.00185 -0.00011 0.01592 0.01444 147 3PX 0.00443 -0.00032 -0.00183 0.01604 0.03621 148 3PY 0.00247 0.00119 -0.00210 0.01676 0.03326 149 3PZ -0.00168 -0.00131 0.00292 -0.00764 0.00109 150 4XX -0.00043 -0.00002 -0.00020 0.00023 0.00020 151 4YY 0.00038 -0.00010 -0.00032 0.00070 0.00210 152 4ZZ -0.00007 0.00006 0.00041 -0.00082 -0.00164 153 4XY 0.00031 0.00007 -0.00021 -0.00086 0.00055 154 4XZ -0.00002 -0.00007 -0.00018 0.00087 0.00075 155 4YZ -0.00034 -0.00012 0.00000 0.00082 0.00089 156 20 O 1S 0.00464 0.00465 -0.00411 0.01447 0.01558 157 2S -0.01079 -0.01076 0.00899 -0.02977 -0.03195 158 2PX -0.00503 -0.02055 0.01301 -0.01122 -0.01324 159 2PY -0.01091 0.01334 0.00897 -0.01622 -0.01997 160 2PZ 0.01435 0.00273 -0.00013 0.04511 0.07787 161 3S -0.01393 -0.00880 0.01631 -0.07661 -0.06609 162 3PX -0.00071 -0.01289 0.00807 -0.00075 0.00487 163 3PY -0.00640 0.00931 0.00496 -0.00846 -0.00929 164 3PZ 0.00858 -0.00008 0.00120 0.03448 0.05422 165 4XX -0.00023 -0.00014 -0.00011 0.00295 0.00082 166 4YY 0.00083 -0.00062 -0.00076 0.00083 0.00169 167 4ZZ -0.00003 0.00023 -0.00040 0.00551 0.00393 168 4XY 0.00009 0.00091 -0.00052 0.00289 0.00304 169 4XZ 0.00021 0.00050 0.00007 -0.00380 -0.00136 170 4YZ -0.00037 -0.00017 0.00014 -0.00318 -0.00427 171 21 C 1S -0.00144 -0.00014 0.00161 -0.00715 -0.00724 172 2S 0.00332 -0.00031 -0.00379 0.01920 0.02009 173 2PX 0.00434 -0.00285 -0.00469 0.02101 0.02944 174 2PY 0.00830 0.00027 -0.00711 0.02878 0.03087 175 2PZ -0.00413 0.00257 0.00333 -0.01804 -0.03035 176 3S 0.00322 0.00130 -0.00454 0.03015 0.02688 177 3PX 0.00244 -0.00116 -0.00194 0.01587 0.02051 178 3PY 0.00366 0.00181 -0.00374 0.02332 0.02319 179 3PZ -0.00075 -0.00052 0.00251 -0.00585 -0.00575 180 4XX 0.00022 -0.00064 0.00026 -0.00030 0.00136 181 4YY -0.00002 0.00026 -0.00001 0.00069 0.00106 182 4ZZ -0.00034 0.00019 -0.00011 -0.00179 -0.00354 183 4XY 0.00040 -0.00057 -0.00007 0.00046 0.00047 184 4XZ -0.00024 0.00040 0.00019 0.00077 -0.00008 185 4YZ -0.00007 0.00010 0.00031 0.00104 0.00100 186 22 H 1S 0.00034 -0.00048 0.00154 -0.00031 0.00210 187 2S 0.00086 -0.00190 0.00332 -0.00120 0.00684 188 23 H 1S -0.00170 0.00169 -0.00035 -0.00723 -0.01713 189 2S -0.00342 0.00275 -0.00071 -0.01838 -0.03208 141 142 143 144 145 141 19 O 1S 2.07618 142 2S -0.17850 0.50284 143 2PX 0.01013 -0.02394 0.64515 144 2PY 0.03984 -0.07524 0.03051 0.65534 145 2PZ -0.00668 0.00662 0.14434 -0.03036 0.72023 146 3S -0.25096 0.60230 -0.03558 -0.21780 0.06724 147 3PX 0.00709 -0.01618 0.40757 0.04066 0.16145 148 3PY 0.02453 -0.04682 0.03999 0.42104 -0.02520 149 3PZ -0.00548 0.00603 0.14832 -0.03570 0.47210 150 4XX -0.01518 -0.00285 0.01112 -0.00440 0.00269 151 4YY -0.01260 -0.00845 -0.00200 0.03991 -0.00149 152 4ZZ -0.01338 -0.00665 -0.00488 -0.00508 -0.00922 153 4XY 0.00151 -0.00340 0.02748 0.00692 0.00421 154 4XZ 0.00388 -0.00826 -0.00349 -0.00140 0.00622 155 4YZ -0.00128 0.00264 0.00363 -0.00363 0.02891 156 20 O 1S 0.00109 -0.00195 0.00528 0.01024 -0.00817 157 2S -0.00195 0.00450 -0.01118 -0.02608 0.01354 158 2PX 0.00528 -0.01118 0.00487 -0.00256 0.01337 159 2PY -0.01024 0.02608 0.00255 0.13373 -0.00503 160 2PZ -0.00817 0.01355 0.01337 0.00506 -0.00310 161 3S -0.01340 0.02703 -0.03649 -0.05654 0.06549 162 3PX 0.00758 -0.01777 0.01027 -0.00255 0.00556 163 3PY -0.00394 0.01066 0.00299 0.10499 -0.01089 164 3PZ -0.00896 0.01652 0.00439 0.00161 0.00303 165 4XX 0.00036 -0.00048 0.00151 -0.00263 -0.00252 166 4YY 0.00037 -0.00110 -0.00121 0.00225 0.00013 167 4ZZ -0.00009 0.00045 0.00069 -0.00154 -0.00397 168 4XY -0.00078 0.00192 -0.00058 0.00284 -0.00053 169 4XZ -0.00018 0.00057 -0.00082 0.00315 0.00109 170 4YZ 0.00067 -0.00152 0.00008 -0.00192 -0.00007 171 21 C 1S 0.00253 -0.00451 0.02608 -0.05688 -0.02094 172 2S -0.00045 -0.00085 -0.05362 0.12372 0.04205 173 2PX -0.01571 0.03883 -0.06899 0.15495 0.05104 174 2PY 0.02600 -0.06165 0.13538 -0.21761 -0.12328 175 2PZ 0.01271 -0.02988 0.05488 -0.12980 -0.04615 176 3S 0.03009 -0.07563 -0.02988 0.09736 0.02559 177 3PX 0.00455 -0.00989 -0.00334 0.06178 0.04209 178 3PY 0.00231 -0.00224 0.05795 -0.02678 -0.05442 179 3PZ -0.00388 0.00778 0.06269 -0.04966 0.04141 180 4XX 0.00192 -0.00407 0.02266 0.00310 0.00989 181 4YY -0.00583 0.01415 -0.01563 -0.00308 0.01265 182 4ZZ 0.00242 -0.00461 -0.00565 -0.00107 -0.02448 183 4XY 0.00411 -0.00982 -0.00386 -0.02108 -0.01708 184 4XZ 0.00149 -0.00386 0.00240 -0.01226 0.00469 185 4YZ -0.00370 0.00902 -0.01697 0.01807 -0.01150 186 22 H 1S 0.00961 -0.02408 0.06456 -0.01485 0.03287 187 2S 0.00437 -0.01290 0.11554 -0.03387 0.08049 188 23 H 1S 0.00931 -0.02050 -0.01840 -0.01633 -0.06943 189 2S 0.00624 -0.01122 -0.06943 -0.03131 -0.15347 146 147 148 149 150 146 3S 0.78071 147 3PX -0.01999 0.26926 148 3PY -0.13594 0.03781 0.27225 149 3PZ 0.04980 0.13925 -0.02462 0.31740 150 4XX -0.00429 0.00625 -0.00237 0.00251 0.00091 151 4YY -0.01842 0.00011 0.02516 -0.00240 -0.00023 152 4ZZ -0.00831 -0.00390 -0.00333 -0.00600 0.00005 153 4XY -0.00448 0.01702 0.00531 0.00482 0.00031 154 4XZ -0.00783 -0.00161 -0.00119 0.00353 -0.00009 155 4YZ 0.00456 0.00471 -0.00266 0.01831 0.00020 156 20 O 1S -0.01340 0.00758 0.00395 -0.00896 0.00036 157 2S 0.02703 -0.01777 -0.01066 0.01652 -0.00048 158 2PX -0.03648 0.01027 -0.00299 0.00439 0.00151 159 2PY 0.05653 0.00254 0.10499 -0.00158 0.00263 160 2PZ 0.06551 0.00556 0.01091 0.00303 -0.00252 161 3S 0.08682 -0.02982 -0.02658 0.05449 -0.00156 162 3PX -0.02982 0.01247 -0.00208 0.00317 0.00042 163 3PY 0.02657 0.00207 0.07983 -0.00644 0.00146 164 3PZ 0.05450 0.00317 0.00646 0.00587 -0.00165 165 4XX -0.00156 0.00042 -0.00146 -0.00165 0.00043 166 4YY -0.00514 -0.00044 0.00014 -0.00055 -0.00025 167 4ZZ 0.00064 0.00013 -0.00079 -0.00280 -0.00001 168 4XY 0.00246 -0.00026 0.00212 -0.00018 0.00007 169 4XZ 0.00049 -0.00026 0.00196 0.00058 -0.00003 170 4YZ -0.00245 0.00048 -0.00160 0.00034 0.00000 171 21 C 1S 0.02394 0.00776 -0.03330 -0.00552 -0.00017 172 2S -0.05729 -0.01832 0.07212 0.01202 -0.00015 173 2PX 0.02302 -0.04530 0.09129 0.01366 -0.00923 174 2PY -0.03414 0.05825 -0.13578 -0.05900 0.00197 175 2PZ -0.02405 0.01617 -0.07871 -0.03727 -0.00008 176 3S -0.14017 -0.00659 0.05669 0.00319 0.00151 177 3PX -0.01964 0.00009 0.03679 0.02171 -0.00286 178 3PY 0.00611 0.02778 -0.01407 -0.02848 0.00041 179 3PZ 0.02120 0.03903 -0.02879 0.02880 0.00037 180 4XX -0.00570 0.01591 0.00256 0.00881 0.00070 181 4YY 0.02218 -0.00914 -0.00224 0.00755 -0.00058 182 4ZZ -0.00934 -0.00638 -0.00084 -0.01721 -0.00021 183 4XY -0.00852 -0.00521 -0.01364 -0.01055 -0.00001 184 4XZ -0.00182 0.00184 -0.00742 0.00351 0.00048 185 4YZ 0.00744 -0.01056 0.01158 -0.00947 -0.00037 186 22 H 1S -0.03547 0.05461 -0.00706 0.03280 0.00590 187 2S -0.00271 0.08798 -0.01707 0.06957 0.00509 188 23 H 1S -0.04836 -0.02303 -0.01180 -0.05865 -0.00113 189 2S -0.03387 -0.06504 -0.02177 -0.11350 -0.00189 151 152 153 154 155 151 4YY 0.00284 152 4ZZ -0.00017 0.00080 153 4XY 0.00023 -0.00027 0.00152 154 4XZ 0.00003 -0.00010 -0.00013 0.00046 155 4YZ -0.00016 -0.00026 -0.00008 0.00022 0.00145 156 20 O 1S 0.00037 -0.00009 0.00078 -0.00018 -0.00067 157 2S -0.00110 0.00045 -0.00192 0.00057 0.00152 158 2PX -0.00121 0.00069 0.00059 -0.00082 -0.00008 159 2PY -0.00225 0.00154 0.00284 -0.00315 -0.00192 160 2PZ 0.00013 -0.00397 0.00053 0.00109 0.00007 161 3S -0.00514 0.00064 -0.00246 0.00049 0.00245 162 3PX -0.00044 0.00013 0.00026 -0.00026 -0.00048 163 3PY -0.00014 0.00079 0.00212 -0.00196 -0.00160 164 3PZ -0.00055 -0.00280 0.00018 0.00058 -0.00034 165 4XX -0.00025 -0.00001 -0.00007 -0.00003 0.00000 166 4YY 0.00084 -0.00024 -0.00014 0.00015 0.00011 167 4ZZ -0.00024 0.00024 0.00000 -0.00009 -0.00007 168 4XY 0.00014 0.00000 -0.00029 -0.00002 0.00012 169 4XZ 0.00015 -0.00009 0.00002 0.00004 0.00001 170 4YZ -0.00011 0.00007 0.00012 -0.00001 -0.00027 171 21 C 1S -0.00695 0.00038 0.00346 0.00129 -0.00313 172 2S 0.01275 -0.00093 -0.00653 -0.00178 0.00589 173 2PX 0.01219 -0.00033 0.00199 0.00188 0.00459 174 2PY -0.01033 0.00152 0.00371 0.00117 -0.00427 175 2PZ -0.00977 0.00865 0.00409 -0.00326 0.00291 176 3S 0.01015 0.00086 -0.00484 -0.00060 0.00463 177 3PX 0.00463 -0.00017 0.00161 0.00134 0.00243 178 3PY -0.00148 -0.00027 0.00227 -0.00016 -0.00218 179 3PZ -0.00392 0.00163 0.00294 -0.00143 0.00304 180 4XX 0.00011 -0.00055 0.00078 -0.00001 0.00004 181 4YY -0.00024 -0.00042 -0.00059 0.00028 0.00049 182 4ZZ -0.00002 0.00087 -0.00002 -0.00032 -0.00070 183 4XY -0.00090 0.00037 -0.00034 0.00020 -0.00059 184 4XZ -0.00093 0.00018 -0.00019 -0.00002 0.00028 185 4YZ 0.00083 -0.00005 -0.00050 -0.00026 -0.00049 186 22 H 1S -0.00056 -0.00255 -0.00180 -0.00101 0.00002 187 2S -0.00314 -0.00312 0.00188 -0.00033 0.00091 188 23 H 1S 0.00014 0.00588 -0.00053 -0.00274 0.00174 189 2S -0.00155 0.00649 -0.00152 -0.00224 -0.00291 156 157 158 159 160 156 20 O 1S 2.07618 157 2S -0.17849 0.50284 158 2PX 0.01013 -0.02394 0.64515 159 2PY -0.03984 0.07524 -0.03054 0.65531 160 2PZ -0.00669 0.00664 0.14434 0.03035 0.72026 161 3S -0.25096 0.60230 -0.03559 0.21779 0.06728 162 3PX 0.00709 -0.01618 0.40757 -0.04070 0.16145 163 3PY -0.02453 0.04682 -0.04003 0.42102 0.02520 164 3PZ -0.00548 0.00604 0.14832 0.03570 0.47213 165 4XX -0.01518 -0.00285 0.01112 0.00440 0.00270 166 4YY -0.01260 -0.00845 -0.00200 -0.03990 -0.00149 167 4ZZ -0.01338 -0.00665 -0.00488 0.00508 -0.00923 168 4XY -0.00151 0.00341 -0.02748 0.00692 -0.00421 169 4XZ 0.00388 -0.00826 -0.00350 0.00140 0.00622 170 4YZ 0.00128 -0.00264 -0.00363 -0.00364 -0.02890 171 21 C 1S 0.00253 -0.00451 0.02608 0.05689 -0.02093 172 2S -0.00045 -0.00085 -0.05361 -0.12374 0.04202 173 2PX -0.01571 0.03882 -0.06898 -0.15496 0.05100 174 2PY -0.02600 0.06166 -0.13539 -0.21768 0.12324 175 2PZ 0.01271 -0.02986 0.05485 0.12976 -0.04609 176 3S 0.03009 -0.07563 -0.02988 -0.09737 0.02557 177 3PX 0.00455 -0.00989 -0.00333 -0.06178 0.04208 178 3PY -0.00231 0.00224 -0.05797 -0.02681 0.05440 179 3PZ -0.00388 0.00778 0.06268 0.04964 0.04144 180 4XX 0.00192 -0.00407 0.02266 -0.00310 0.00989 181 4YY -0.00584 0.01416 -0.01564 0.00307 0.01265 182 4ZZ 0.00242 -0.00461 -0.00565 0.00108 -0.02447 183 4XY -0.00411 0.00982 0.00386 -0.02109 0.01708 184 4XZ 0.00149 -0.00386 0.00240 0.01225 0.00469 185 4YZ 0.00370 -0.00901 0.01696 0.01807 0.01151 186 22 H 1S 0.00961 -0.02408 0.06456 0.01484 0.03288 187 2S 0.00437 -0.01290 0.11554 0.03386 0.08050 188 23 H 1S 0.00931 -0.02051 -0.01840 0.01635 -0.06942 189 2S 0.00624 -0.01122 -0.06943 0.03135 -0.15347 161 162 163 164 165 161 3S 0.78072 162 3PX -0.01998 0.26926 163 3PY 0.13593 -0.03784 0.27223 164 3PZ 0.04982 0.13924 0.02462 0.31742 165 4XX -0.00429 0.00626 0.00237 0.00251 0.00091 166 4YY -0.01842 0.00011 -0.02516 -0.00240 -0.00023 167 4ZZ -0.00832 -0.00390 0.00333 -0.00600 0.00005 168 4XY 0.00449 -0.01702 0.00531 -0.00482 -0.00031 169 4XZ -0.00783 -0.00162 0.00119 0.00353 -0.00009 170 4YZ -0.00456 -0.00470 -0.00266 -0.01831 -0.00020 171 21 C 1S 0.02394 0.00776 0.03330 -0.00551 -0.00017 172 2S -0.05729 -0.01832 -0.07212 0.01201 -0.00015 173 2PX 0.02301 -0.04529 -0.09129 0.01364 -0.00923 174 2PY 0.03414 -0.05825 -0.13582 0.05898 -0.00197 175 2PZ -0.02404 0.01616 0.07868 -0.03724 -0.00008 176 3S -0.14018 -0.00659 -0.05669 0.00318 0.00151 177 3PX -0.01964 0.00009 -0.03679 0.02171 -0.00286 178 3PY -0.00611 -0.02779 -0.01408 0.02848 -0.00041 179 3PZ 0.02119 0.03902 0.02878 0.02882 0.00037 180 4XX -0.00570 0.01591 -0.00256 0.00881 0.00070 181 4YY 0.02218 -0.00915 0.00223 0.00755 -0.00058 182 4ZZ -0.00934 -0.00638 0.00085 -0.01720 -0.00021 183 4XY 0.00852 0.00521 -0.01364 0.01054 0.00001 184 4XZ -0.00182 0.00184 0.00742 0.00352 0.00048 185 4YZ -0.00743 0.01055 0.01158 0.00948 0.00037 186 22 H 1S -0.03547 0.05462 0.00705 0.03280 0.00590 187 2S -0.00270 0.08798 0.01705 0.06958 0.00509 188 23 H 1S -0.04836 -0.02303 0.01182 -0.05865 -0.00113 189 2S -0.03387 -0.06504 0.02179 -0.11350 -0.00189 166 167 168 169 170 166 4YY 0.00284 167 4ZZ -0.00017 0.00080 168 4XY -0.00023 0.00027 0.00152 169 4XZ 0.00003 -0.00010 0.00013 0.00046 170 4YZ 0.00016 0.00026 -0.00008 -0.00022 0.00145 171 21 C 1S -0.00695 0.00038 -0.00346 0.00129 0.00313 172 2S 0.01276 -0.00093 0.00653 -0.00177 -0.00588 173 2PX 0.01219 -0.00033 -0.00199 0.00188 -0.00459 174 2PY 0.01033 -0.00152 0.00371 -0.00117 -0.00427 175 2PZ -0.00977 0.00865 -0.00408 -0.00326 -0.00291 176 3S 0.01015 0.00086 0.00484 -0.00060 -0.00463 177 3PX 0.00463 -0.00017 -0.00161 0.00134 -0.00243 178 3PY 0.00148 0.00027 0.00228 0.00016 -0.00218 179 3PZ -0.00392 0.00163 -0.00294 -0.00143 -0.00304 180 4XX 0.00011 -0.00055 -0.00078 -0.00001 -0.00004 181 4YY -0.00024 -0.00042 0.00059 0.00028 -0.00049 182 4ZZ -0.00002 0.00087 0.00002 -0.00032 0.00070 183 4XY 0.00090 -0.00038 -0.00034 -0.00020 -0.00059 184 4XZ -0.00093 0.00018 0.00019 -0.00002 -0.00028 185 4YZ -0.00083 0.00005 -0.00050 0.00026 -0.00050 186 22 H 1S -0.00056 -0.00255 0.00180 -0.00101 -0.00002 187 2S -0.00314 -0.00312 -0.00188 -0.00033 -0.00091 188 23 H 1S 0.00014 0.00588 0.00053 -0.00274 -0.00174 189 2S -0.00155 0.00649 0.00152 -0.00224 0.00291 171 172 173 174 175 171 21 C 1S 2.05026 172 2S -0.06625 0.34527 173 2PX 0.01677 -0.03086 0.41374 174 2PY 0.00000 0.00000 0.00000 0.28616 175 2PZ -0.01391 0.02447 0.04563 -0.00002 0.43026 176 3S -0.15485 0.26801 -0.04863 -0.00001 0.04446 177 3PX 0.00885 -0.02083 0.15120 0.00000 0.01032 178 3PY 0.00000 0.00000 0.00000 0.07632 -0.00001 179 3PZ -0.00985 0.01968 0.00460 -0.00001 0.14693 180 4XX -0.01755 -0.00015 -0.01935 0.00000 -0.01354 181 4YY -0.01289 -0.01084 0.01728 0.00001 -0.01425 182 4ZZ -0.01808 0.00087 0.00528 -0.00001 0.02498 183 4XY 0.00000 0.00000 0.00000 0.02186 0.00000 184 4XZ -0.00141 0.00310 -0.01690 0.00000 0.00727 185 4YZ 0.00000 0.00000 0.00000 -0.01759 -0.00001 186 22 H 1S -0.06080 0.12645 -0.26024 0.00001 -0.09727 187 2S -0.01284 0.03653 -0.20700 0.00001 -0.09005 188 23 H 1S -0.06117 0.12669 0.04748 -0.00003 0.27270 189 2S -0.01243 0.03679 0.05625 -0.00003 0.22141 176 177 178 179 180 176 3S 0.24104 177 3PX -0.01740 0.06178 178 3PY 0.00000 0.00000 0.02824 179 3PZ 0.01836 0.00186 0.00000 0.06597 180 4XX 0.00195 -0.00497 0.00000 -0.00070 0.00298 181 4YY -0.01285 0.00564 0.00000 -0.00463 -0.00106 182 4ZZ 0.00369 0.00020 0.00000 0.00437 -0.00152 183 4XY 0.00000 0.00000 0.00446 0.00000 0.00000 184 4XZ 0.00487 -0.00561 0.00000 0.00354 0.00051 185 4YZ 0.00000 0.00000 -0.00322 0.00000 0.00000 186 22 H 1S 0.11099 -0.09151 0.00000 -0.01245 0.01811 187 2S 0.03442 -0.06489 0.00000 -0.00123 0.01906 188 23 H 1S 0.11462 0.00618 -0.00001 0.08428 -0.01191 189 2S 0.03796 0.00508 -0.00001 0.04644 -0.01577 181 182 183 184 185 181 4YY 0.00328 182 4ZZ -0.00126 0.00313 183 4XY 0.00000 0.00000 0.00256 184 4XZ -0.00070 -0.00017 0.00000 0.00121 185 4YZ 0.00000 0.00000 -0.00089 0.00000 0.00235 186 22 H 1S -0.01218 -0.00985 0.00000 0.00985 0.00000 187 2S -0.00778 -0.01302 0.00000 0.00807 0.00000 188 23 H 1S -0.01208 0.02013 0.00000 0.00306 0.00000 189 2S -0.00799 0.02236 0.00000 -0.00002 0.00000 186 187 188 189 186 22 H 1S 0.22294 187 2S 0.17146 0.16171 188 23 H 1S -0.04415 -0.07675 0.22259 189 2S -0.08442 -0.10989 0.17751 0.18519 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05539 2 2S -0.01307 0.32425 3 2PX 0.00000 0.00000 0.36206 4 2PY 0.00000 0.00000 0.00000 0.40928 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38251 6 3S -0.03818 0.23929 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10856 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07771 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09772 10 4XX -0.00091 -0.00868 0.00000 0.00000 0.00000 11 4YY -0.00143 0.00094 0.00000 0.00000 0.00000 12 4ZZ -0.00110 -0.00513 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S -0.00195 0.03087 0.00198 0.09590 0.00073 17 2S -0.00123 0.01240 0.00047 0.06347 0.00051 18 3 C 1S 0.00000 -0.00053 -0.00132 -0.00062 -0.00089 19 2S -0.00057 0.01123 0.02035 0.00865 0.01336 20 2PX -0.00140 0.02027 0.00210 0.01700 0.03193 21 2PY -0.00060 0.00924 0.01744 -0.00046 0.00915 22 2PZ -0.00088 0.01268 0.03754 0.00690 0.00069 23 3S 0.00096 0.00473 0.00971 0.01164 0.00545 24 3PX -0.00030 0.01021 0.00202 0.00727 0.01120 25 3PY -0.00034 0.00243 0.01163 0.00109 0.00378 26 3PZ 0.00043 0.00222 0.01562 0.00050 0.00350 27 4XX -0.00003 0.00044 -0.00079 0.00069 0.00099 28 4YY 0.00001 -0.00044 -0.00030 -0.00024 -0.00034 29 4ZZ 0.00000 0.00006 0.00047 0.00022 -0.00053 30 4XY -0.00008 0.00082 0.00025 -0.00001 0.00119 31 4XZ -0.00009 0.00098 0.00038 0.00102 -0.00006 32 4YZ -0.00006 0.00068 0.00127 -0.00001 0.00005 33 4 H 1S 0.00000 -0.00019 -0.00036 0.00000 -0.00035 34 2S 0.00026 -0.00339 -0.00590 0.00001 -0.00530 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 -0.00009 -0.00010 -0.00024 -0.00006 37 2PX 0.00000 0.00000 0.00001 -0.00003 -0.00007 38 2PY 0.00000 -0.00031 -0.00025 -0.00052 -0.00011 39 2PZ 0.00000 -0.00006 -0.00010 -0.00004 0.00000 40 3S -0.00004 -0.00114 0.00126 -0.00555 0.00040 41 3PX -0.00008 0.00063 -0.00036 -0.00008 -0.00007 42 3PY 0.00010 -0.00277 0.00122 -0.00557 -0.00030 43 3PZ -0.00005 -0.00014 0.00002 0.00005 -0.00055 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00002 0.00001 0.00006 0.00002 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00002 0.00000 0.00006 0.00003 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00001 0.00005 0.00002 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00013 0.00023 0.00018 0.00012 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 54 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 55 2PY 0.00000 -0.00007 0.00000 -0.00022 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 57 3S 0.00008 -0.00090 0.00000 -0.00118 0.00000 58 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 59 3PY 0.00013 -0.00077 0.00000 0.00115 0.00000 60 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00002 0.00000 0.00006 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00002 0.00000 -0.00009 -0.00005 71 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 72 2PY 0.00000 -0.00013 0.00000 -0.00029 -0.00019 73 2PZ 0.00000 -0.00004 -0.00001 -0.00005 -0.00006 74 3S -0.00002 -0.00047 -0.00033 -0.00343 -0.00016 75 3PX 0.00000 -0.00009 0.00016 -0.00020 -0.00001 76 3PY 0.00008 -0.00196 -0.00015 -0.00455 -0.00167 77 3PZ -0.00001 -0.00049 -0.00013 -0.00019 -0.00033 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00001 0.00000 0.00003 0.00003 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00008 0.00001 0.00012 0.00023 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00009 0.00011 0.00015 0.00007 88 12 C 1S 0.00000 -0.00020 -0.00011 -0.00025 -0.00100 89 2S -0.00021 0.00538 0.00222 0.00442 0.01946 90 2PX -0.00009 0.00170 0.00027 0.00087 0.00647 91 2PY -0.00020 0.00393 0.00071 -0.00065 0.01309 92 2PZ -0.00122 0.02452 0.00736 0.01429 0.04586 93 3S 0.00031 0.00613 0.00483 0.00943 0.01905 94 3PX -0.00007 0.00173 0.00080 0.00055 0.00366 95 3PY -0.00031 0.00271 0.00068 0.00020 0.00704 96 3PZ -0.00108 0.01931 0.00309 0.00770 0.01580 97 4XX 0.00000 -0.00029 0.00003 -0.00007 -0.00044 98 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00035 99 4ZZ -0.00008 0.00167 0.00056 0.00110 0.00032 100 4XY 0.00000 0.00007 0.00004 0.00000 0.00020 101 4XZ -0.00002 0.00040 0.00051 0.00020 0.00056 102 4YZ -0.00005 0.00085 0.00021 0.00006 0.00129 103 13 H 1S 0.00000 -0.00013 -0.00024 0.00000 -0.00029 104 2S 0.00019 -0.00269 -0.00597 -0.00013 -0.00244 105 14 H 1S 0.00000 -0.00020 0.00001 -0.00001 -0.00043 106 2S 0.00020 -0.00357 -0.00015 -0.00012 -0.00646 107 15 C 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 108 2S 0.00000 -0.00022 0.00045 0.00006 0.00014 109 2PX 0.00000 0.00019 0.00410 0.00073 0.00179 110 2PY 0.00000 -0.00004 0.00045 -0.00002 0.00011 111 2PZ 0.00000 0.00025 0.00285 0.00032 0.00071 112 3S 0.00026 -0.00044 0.00421 0.00165 -0.00085 113 3PX 0.00004 -0.00086 0.00891 0.00223 0.00760 114 3PY 0.00000 -0.00060 0.00145 0.00048 0.00107 115 3PZ 0.00006 0.00096 0.01020 0.00112 0.00028 116 4XX 0.00000 0.00008 0.00019 0.00005 0.00018 117 4YY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 118 4ZZ 0.00000 -0.00001 -0.00004 0.00000 -0.00003 119 4XY 0.00000 0.00002 0.00005 0.00000 0.00003 120 4XZ 0.00000 0.00006 0.00019 0.00003 0.00003 121 4YZ 0.00000 0.00002 0.00003 0.00000 0.00001 122 16 H 1S 0.00000 -0.00005 -0.00009 0.00000 -0.00012 123 2S 0.00007 -0.00110 -0.00183 0.00002 -0.00254 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00001 -0.00001 0.00000 126 2PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 127 2PY 0.00000 0.00000 -0.00003 -0.00002 -0.00001 128 2PZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 129 3S 0.00000 -0.00040 -0.00020 -0.00091 0.00021 130 3PX 0.00002 -0.00049 -0.00020 -0.00027 -0.00038 131 3PY -0.00001 -0.00012 -0.00030 -0.00069 0.00026 132 3PZ 0.00000 -0.00036 -0.00039 -0.00021 0.00001 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00002 0.00004 0.00005 0.00006 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00007 -0.00036 0.00000 0.00002 147 3PX 0.00001 -0.00036 -0.00226 -0.00004 -0.00008 148 3PY 0.00000 0.00000 -0.00001 -0.00002 0.00000 149 3PZ 0.00000 -0.00003 -0.00024 -0.00001 0.00012 150 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00004 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00001 0.00000 0.00001 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00004 0.00000 -0.00001 6 7 8 9 10 6 3S 0.32235 7 3PX 0.00000 0.11517 8 3PY 0.00000 0.00000 0.06048 9 3PZ 0.00000 0.00000 0.00000 0.09829 10 4XX -0.00704 0.00000 0.00000 0.00000 0.00146 11 4YY 0.00244 0.00000 0.00000 0.00000 -0.00016 12 4ZZ -0.00412 0.00000 0.00000 0.00000 0.00002 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S 0.04336 0.00041 0.04370 0.00038 -0.00104 17 2S 0.02277 -0.00095 0.04289 0.00002 -0.00178 18 3 C 1S -0.00052 -0.00090 -0.00052 -0.00035 -0.00004 19 2S 0.01124 0.01201 0.00620 0.00406 0.00053 20 2PX 0.02305 0.00116 0.00725 0.01356 -0.00101 21 2PY 0.00561 0.00772 -0.00014 0.00383 0.00076 22 2PZ 0.01237 0.01953 0.00223 0.00205 0.00131 23 3S -0.02025 -0.00120 0.00445 -0.00160 0.00117 24 3PX 0.01072 0.01229 0.00356 0.00864 -0.00155 25 3PY -0.00089 0.00969 0.00215 0.00030 0.00070 26 3PZ -0.00142 0.01467 -0.00102 0.01108 0.00185 27 4XX 0.00122 -0.00115 0.00051 0.00142 -0.00001 28 4YY -0.00081 0.00014 -0.00057 -0.00055 -0.00003 29 4ZZ -0.00051 0.00084 -0.00022 -0.00081 0.00001 30 4XY 0.00049 -0.00001 -0.00001 0.00025 0.00000 31 4XZ 0.00026 -0.00001 0.00009 0.00002 0.00001 32 4YZ 0.00033 0.00030 0.00003 0.00004 -0.00008 33 4 H 1S -0.00418 -0.00265 -0.00011 -0.00110 0.00003 34 2S -0.01533 -0.01113 -0.00023 -0.00439 0.00020 35 5 C 1S 0.00003 0.00003 0.00004 0.00004 0.00000 36 2S -0.00116 -0.00083 -0.00145 -0.00057 0.00000 37 2PX -0.00125 -0.00001 -0.00065 -0.00109 -0.00001 38 2PY -0.00159 -0.00122 0.00079 -0.00153 -0.00001 39 2PZ -0.00089 -0.00095 -0.00029 -0.00024 0.00001 40 3S -0.00134 0.00418 -0.00734 -0.00093 -0.00005 41 3PX -0.00107 -0.00229 -0.00088 -0.00202 -0.00017 42 3PY -0.00401 0.00340 -0.00181 -0.00271 -0.00005 43 3PZ 0.00039 -0.00078 0.00071 -0.00304 0.00021 44 4XX -0.00001 0.00009 0.00001 -0.00006 0.00000 45 4YY 0.00010 -0.00007 0.00013 0.00006 0.00000 46 4ZZ 0.00004 -0.00002 0.00001 0.00005 0.00000 47 4XY 0.00015 0.00001 0.00015 0.00010 0.00000 48 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00009 0.00017 0.00005 0.00002 0.00000 50 6 H 1S 0.00011 0.00013 0.00005 0.00007 0.00000 51 2S 0.00174 0.00165 0.00107 0.00078 0.00000 52 7 C 1S 0.00008 0.00000 0.00013 0.00000 0.00000 53 2S -0.00090 0.00000 -0.00077 0.00000 0.00000 54 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 55 2PY -0.00118 0.00000 0.00115 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 57 3S -0.00537 0.00000 -0.00185 0.00000 0.00001 58 3PX 0.00000 -0.00718 0.00000 0.00000 0.00000 59 3PY -0.00185 0.00000 0.00506 0.00000 0.00000 60 3PZ 0.00000 0.00000 0.00000 -0.00422 0.00000 61 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00002 0.00000 -0.00003 0.00000 0.00000 63 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 64 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 67 8 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 68 2S 0.00020 0.00005 -0.00011 0.00001 0.00000 69 9 C 1S 0.00001 0.00001 0.00005 0.00002 0.00000 70 2S -0.00037 -0.00011 -0.00094 -0.00050 0.00000 71 2PX -0.00010 -0.00009 -0.00001 0.00003 0.00000 72 2PY -0.00129 -0.00019 -0.00119 -0.00180 0.00000 73 2PZ 0.00030 -0.00021 0.00203 -0.00047 0.00000 74 3S -0.00128 -0.00151 -0.00629 0.00102 -0.00004 75 3PX -0.00029 0.00019 -0.00017 0.00011 0.00000 76 3PY -0.00401 -0.00067 -0.00408 -0.00304 -0.00004 77 3PZ 0.00092 -0.00047 0.00298 -0.00016 -0.00005 78 4XX 0.00001 0.00001 -0.00006 0.00001 0.00000 79 4YY 0.00004 0.00003 0.00006 -0.00010 0.00000 80 4ZZ -0.00002 -0.00003 0.00006 0.00005 0.00000 81 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 82 4XZ 0.00000 -0.00002 0.00001 -0.00001 0.00000 83 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 84 10 H 1S -0.00002 0.00000 -0.00013 0.00024 0.00000 85 2S -0.00007 0.00004 -0.00032 0.00190 0.00001 86 11 H 1S 0.00003 0.00005 -0.00005 0.00003 0.00000 87 2S 0.00051 0.00091 -0.00014 0.00000 0.00000 88 12 C 1S -0.00010 -0.00012 -0.00034 -0.00060 0.00000 89 2S 0.00513 0.00152 0.00367 0.01107 -0.00028 90 2PX 0.00183 0.00049 0.00002 0.00181 0.00003 91 2PY 0.00319 0.00033 -0.00176 0.00756 -0.00003 92 2PZ 0.02174 0.00371 0.00274 0.01225 -0.00059 93 3S 0.00006 0.00616 0.00688 0.00319 -0.00076 94 3PX 0.00115 0.00055 -0.00016 0.00159 -0.00018 95 3PY 0.00293 0.00025 -0.00224 0.00499 -0.00016 96 3PZ 0.00799 0.00182 -0.00017 0.00192 -0.00045 97 4XX -0.00101 -0.00024 -0.00002 -0.00004 0.00002 98 4YY -0.00039 -0.00013 -0.00036 -0.00016 -0.00001 99 4ZZ 0.00251 0.00058 0.00056 -0.00041 -0.00004 100 4XY 0.00004 0.00006 0.00002 0.00003 0.00000 101 4XZ 0.00013 0.00050 0.00000 0.00014 0.00000 102 4YZ 0.00034 0.00004 0.00025 0.00018 -0.00002 103 13 H 1S -0.00205 -0.00186 0.00011 0.00005 0.00003 104 2S -0.01204 -0.01216 -0.00024 0.00531 0.00053 105 14 H 1S -0.00123 -0.00006 0.00017 -0.00549 0.00000 106 2S -0.00414 -0.00073 0.00036 -0.01724 -0.00002 107 15 C 1S 0.00007 0.00007 -0.00004 -0.00012 0.00000 108 2S 0.00035 -0.00045 0.00083 0.00142 0.00007 109 2PX 0.00123 0.00901 0.00164 0.00727 0.00014 110 2PY 0.00003 0.00101 -0.00014 0.00103 0.00006 111 2PZ 0.00305 0.00850 0.00147 0.00052 0.00010 112 3S 0.00288 0.00395 0.00267 0.00242 0.00053 113 3PX 0.00414 0.00968 0.00332 0.01446 0.00058 114 3PY 0.00013 0.00211 -0.00029 0.00219 0.00019 115 3PZ 0.00489 0.01513 0.00191 -0.00263 0.00044 116 4XX 0.00097 0.00079 0.00036 0.00083 -0.00001 117 4YY -0.00023 -0.00021 -0.00006 -0.00018 0.00000 118 4ZZ -0.00039 -0.00022 -0.00018 -0.00020 0.00000 119 4XY 0.00001 0.00007 0.00006 0.00006 -0.00001 120 4XZ 0.00013 0.00027 0.00005 0.00002 -0.00001 121 4YZ 0.00002 0.00012 0.00001 0.00000 -0.00001 122 16 H 1S -0.00131 -0.00214 0.00004 -0.00123 0.00001 123 2S -0.00750 -0.00688 0.00016 -0.00698 0.00007 124 17 C 1S 0.00000 0.00001 -0.00001 0.00001 0.00000 125 2S -0.00014 -0.00023 -0.00008 -0.00015 0.00000 126 2PX 0.00019 -0.00038 0.00076 -0.00006 0.00000 127 2PY -0.00020 -0.00073 -0.00006 -0.00054 0.00000 128 2PZ -0.00005 -0.00050 0.00028 0.00000 0.00000 129 3S -0.00050 -0.00097 -0.00001 0.00042 0.00006 130 3PX -0.00053 -0.00112 0.00119 -0.00113 0.00010 131 3PY -0.00125 -0.00018 -0.00085 -0.00026 -0.00010 132 3PZ 0.00024 -0.00219 0.00119 -0.00010 0.00011 133 4XX -0.00001 -0.00003 0.00001 -0.00001 0.00000 134 4YY 0.00003 0.00001 0.00002 0.00001 0.00000 135 4ZZ -0.00001 0.00001 -0.00003 0.00000 0.00000 136 4XY 0.00001 0.00008 0.00004 0.00006 0.00000 137 4XZ 0.00001 -0.00002 0.00002 0.00000 0.00000 138 4YZ 0.00002 0.00008 0.00003 0.00001 0.00000 139 18 H 1S 0.00001 0.00004 0.00000 0.00004 0.00000 140 2S 0.00026 0.00059 0.00004 0.00065 0.00000 141 19 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 142 2S 0.00011 0.00014 0.00003 -0.00004 0.00000 143 2PX -0.00084 -0.00150 -0.00011 -0.00019 0.00000 144 2PY -0.00004 0.00006 0.00001 -0.00001 0.00000 145 2PZ -0.00015 -0.00012 -0.00002 0.00025 0.00000 146 3S -0.00028 0.00055 0.00010 -0.00022 -0.00001 147 3PX -0.00631 -0.00805 -0.00061 -0.00102 0.00011 148 3PY -0.00022 0.00025 0.00006 -0.00003 0.00000 149 3PZ -0.00099 -0.00082 -0.00010 0.00212 0.00001 150 4XX -0.00001 0.00022 0.00000 0.00002 0.00000 151 4YY 0.00004 -0.00006 0.00000 0.00001 0.00000 152 4ZZ 0.00001 -0.00009 0.00000 0.00000 0.00000 153 4XY 0.00001 0.00001 -0.00002 0.00000 0.00000 154 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 158 2PX -0.00001 0.00001 -0.00003 0.00000 0.00000 159 2PY -0.00001 0.00002 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00013 -0.00002 -0.00017 -0.00002 0.00000 162 3PX -0.00011 0.00022 -0.00036 0.00000 0.00000 163 3PY -0.00016 0.00020 -0.00007 0.00000 0.00000 164 3PZ 0.00000 0.00000 -0.00003 0.00002 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00004 -0.00001 0.00001 -0.00001 0.00000 174 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00011 0.00019 0.00002 -0.00002 0.00000 177 3PX -0.00002 -0.00018 -0.00013 -0.00003 0.00000 178 3PY -0.00005 0.00006 0.00000 -0.00001 0.00000 179 3PZ 0.00003 0.00005 0.00002 0.00016 0.00000 180 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00005 -0.00005 -0.00003 0.00000 0.00000 188 23 H 1S 0.00001 0.00001 0.00001 -0.00001 0.00000 189 2S 0.00050 0.00026 0.00032 -0.00023 0.00000 11 12 13 14 15 11 4YY 0.00182 12 4ZZ -0.00025 0.00145 13 4XY 0.00000 0.00000 0.00050 14 4XZ 0.00000 0.00000 0.00000 0.00080 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00069 16 2 H 1S 0.00734 -0.00119 0.00026 0.00001 0.00009 17 2S 0.00672 -0.00309 0.00006 0.00000 0.00001 18 3 C 1S 0.00002 0.00000 -0.00007 -0.00012 -0.00006 19 2S -0.00043 -0.00017 0.00081 0.00120 0.00064 20 2PX -0.00026 0.00038 0.00030 0.00041 0.00119 21 2PY -0.00022 0.00015 -0.00002 0.00093 -0.00001 22 2PZ -0.00017 -0.00069 0.00115 0.00003 0.00007 23 3S -0.00156 0.00065 0.00020 0.00042 0.00019 24 3PX -0.00032 0.00156 0.00001 -0.00002 0.00017 25 3PY -0.00043 -0.00022 0.00000 0.00017 -0.00001 26 3PZ -0.00019 -0.00119 0.00014 0.00003 0.00003 27 4XX -0.00005 0.00005 -0.00003 -0.00002 0.00000 28 4YY 0.00004 -0.00005 0.00000 -0.00004 0.00000 29 4ZZ -0.00005 0.00001 -0.00004 0.00001 -0.00002 30 4XY 0.00000 -0.00010 0.00001 -0.00002 0.00000 31 4XZ -0.00010 0.00001 0.00000 0.00004 0.00000 32 4YZ 0.00000 -0.00002 0.00001 0.00001 0.00000 33 4 H 1S -0.00001 0.00005 0.00000 0.00004 0.00000 34 2S -0.00033 0.00061 -0.00002 0.00007 -0.00001 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00003 0.00000 0.00001 0.00000 0.00001 37 2PX 0.00001 0.00001 0.00000 0.00000 0.00001 38 2PY 0.00013 -0.00001 0.00006 0.00000 0.00004 39 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 40 3S 0.00045 -0.00015 0.00010 -0.00001 0.00005 41 3PX 0.00004 0.00013 0.00000 -0.00001 0.00005 42 3PY 0.00068 -0.00026 0.00012 0.00000 0.00006 43 3PZ -0.00003 -0.00009 0.00003 0.00001 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S -0.00002 0.00000 0.00000 0.00000 0.00000 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 55 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 3S 0.00002 0.00000 0.00000 0.00000 0.00000 58 3PX 0.00000 0.00000 -0.00003 0.00000 0.00000 59 3PY -0.00003 -0.00001 0.00000 0.00000 0.00000 60 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00001 0.00000 0.00000 0.00000 0.00001 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00006 -0.00002 0.00000 0.00000 0.00005 73 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 74 3S 0.00027 -0.00011 0.00000 0.00000 0.00007 75 3PX 0.00002 0.00000 0.00001 -0.00001 0.00000 76 3PY 0.00059 -0.00030 0.00000 -0.00001 0.00018 77 3PZ -0.00001 0.00002 0.00000 0.00000 0.00001 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00002 0.00001 0.00000 0.00000 0.00000 88 12 C 1S 0.00001 -0.00009 -0.00001 -0.00002 -0.00004 89 2S -0.00028 0.00176 0.00008 0.00027 0.00074 90 2PX -0.00003 0.00055 0.00002 0.00060 0.00018 91 2PY -0.00005 0.00117 0.00000 0.00016 0.00007 92 2PZ -0.00044 -0.00018 0.00024 0.00038 0.00131 93 3S -0.00145 0.00323 0.00007 0.00014 0.00038 94 3PX -0.00005 0.00035 0.00002 0.00049 0.00004 95 3PY -0.00035 0.00083 0.00000 0.00003 0.00016 96 3PZ -0.00084 0.00000 0.00007 0.00004 0.00019 97 4XX -0.00001 0.00001 0.00000 -0.00001 -0.00003 98 4YY 0.00002 -0.00009 0.00000 -0.00001 0.00000 99 4ZZ -0.00006 0.00007 0.00000 -0.00002 -0.00002 100 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 101 4XZ -0.00001 -0.00007 0.00001 -0.00006 0.00001 102 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 104 2S -0.00014 -0.00022 -0.00001 0.00032 -0.00002 105 14 H 1S 0.00000 0.00013 0.00000 0.00002 0.00000 106 2S -0.00013 0.00070 0.00000 0.00009 -0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00001 0.00000 0.00001 0.00007 0.00001 109 2PX -0.00003 0.00002 0.00007 0.00022 0.00003 110 2PY 0.00000 0.00001 0.00000 0.00005 0.00000 111 2PZ 0.00000 -0.00001 0.00004 0.00004 0.00001 112 3S -0.00030 0.00002 0.00006 0.00020 0.00000 113 3PX -0.00029 0.00012 0.00007 0.00030 0.00007 114 3PY 0.00001 -0.00006 0.00001 0.00010 0.00000 115 3PZ -0.00011 -0.00003 0.00009 0.00003 0.00000 116 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 123 2S -0.00005 0.00007 0.00000 0.00003 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00004 -0.00005 0.00000 0.00001 0.00001 130 3PX -0.00002 -0.00005 0.00002 0.00002 0.00000 131 3PY 0.00006 0.00001 0.00000 -0.00001 0.00001 132 3PZ -0.00001 -0.00003 0.00001 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21712 17 2S 0.11481 0.16355 18 3 C 1S 0.00000 0.00017 2.05281 19 2S -0.00016 -0.00235 -0.01340 0.32266 20 2PX -0.00017 -0.00240 0.00000 0.00000 0.37618 21 2PY -0.00044 -0.00628 0.00000 0.00000 0.00000 22 2PZ -0.00007 -0.00033 0.00000 0.00000 0.00000 23 3S -0.00434 -0.01432 -0.03015 0.20197 0.00000 24 3PX -0.00163 -0.00559 0.00000 0.00000 0.10028 25 3PY -0.00081 -0.00279 0.00000 0.00000 0.00000 26 3PZ -0.00046 -0.00005 0.00000 0.00000 0.00000 27 4XX -0.00001 -0.00027 -0.00116 -0.00602 0.00000 28 4YY 0.00008 0.00090 -0.00135 -0.00210 0.00000 29 4ZZ -0.00001 -0.00022 -0.00123 -0.00449 0.00000 30 4XY 0.00004 0.00009 0.00000 0.00000 0.00000 31 4XZ -0.00001 -0.00008 0.00000 0.00000 0.00000 32 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00097 -0.00203 0.03114 0.02930 34 2S -0.00090 -0.00558 -0.00130 0.01232 0.01958 35 5 C 1S 0.00000 0.00000 0.00000 -0.00048 0.00000 36 2S 0.00000 0.00013 -0.00048 0.00983 0.00000 37 2PX 0.00000 0.00002 0.00000 0.00000 0.01252 38 2PY 0.00000 0.00051 -0.00260 0.04013 0.00000 39 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 40 3S 0.00014 0.00214 -0.00020 0.01186 0.00000 41 3PX 0.00000 0.00013 0.00000 0.00000 0.02372 42 3PY 0.00031 0.00379 -0.00168 0.02394 0.00000 43 3PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 44 4XX 0.00000 0.00000 0.00000 -0.00044 0.00000 45 4YY 0.00000 -0.00001 -0.00026 0.00350 0.00000 46 4ZZ 0.00000 0.00000 0.00000 -0.00045 0.00000 47 4XY 0.00000 -0.00001 0.00000 0.00000 0.00200 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 -0.00017 -0.00007 51 2S 0.00000 -0.00013 0.00020 -0.00270 -0.00102 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00002 0.00000 -0.00009 0.00000 54 2PX 0.00000 0.00000 0.00000 -0.00010 0.00001 55 2PY 0.00000 0.00006 0.00000 -0.00024 -0.00003 56 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00007 57 3S 0.00000 0.00020 0.00003 -0.00116 -0.00125 58 3PX 0.00000 0.00005 0.00003 -0.00083 -0.00001 59 3PY -0.00003 -0.00011 0.00004 -0.00145 -0.00065 60 3PZ 0.00000 0.00001 0.00004 -0.00057 -0.00109 61 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 62 4YY 0.00000 0.00000 0.00000 0.00003 0.00001 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 64 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00001 0.00001 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00013 0.00002 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00007 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00031 0.00000 0.00000 -0.00002 73 2PZ 0.00000 0.00005 0.00000 -0.00001 0.00001 74 3S 0.00008 0.00134 0.00002 -0.00039 -0.00012 75 3PX 0.00000 0.00003 0.00000 -0.00005 0.00002 76 3PY 0.00026 0.00313 0.00001 -0.00021 -0.00047 77 3PZ 0.00000 0.00018 0.00002 -0.00030 0.00034 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00012 0.00000 0.00001 -0.00002 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00017 0.00000 0.00000 0.00000 88 12 C 1S 0.00000 0.00017 0.00000 0.00000 0.00000 89 2S -0.00013 -0.00253 0.00000 -0.00004 -0.00004 90 2PX -0.00001 -0.00015 0.00000 -0.00007 -0.00001 91 2PY -0.00030 -0.00466 0.00000 0.00000 0.00000 92 2PZ -0.00026 -0.00434 0.00000 -0.00017 -0.00030 93 3S -0.00394 -0.01577 0.00003 -0.00072 -0.00009 94 3PX -0.00009 -0.00032 0.00004 -0.00064 -0.00002 95 3PY -0.00091 -0.00549 0.00000 0.00003 0.00001 96 3PZ -0.00268 -0.00905 0.00012 -0.00211 -0.00313 97 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 98 4YY 0.00005 0.00069 0.00000 0.00000 0.00000 99 4ZZ -0.00001 -0.00039 0.00000 0.00000 0.00003 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 -0.00001 0.00000 0.00001 0.00000 102 4YZ 0.00005 0.00010 0.00000 0.00000 0.00000 103 13 H 1S -0.00001 -0.00029 0.00000 0.00000 0.00000 104 2S -0.00045 0.00004 0.00000 0.00015 0.00002 105 14 H 1S 0.00000 -0.00016 0.00000 0.00000 0.00000 106 2S -0.00019 -0.00046 0.00000 -0.00007 0.00009 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 108 2S -0.00001 -0.00029 0.00000 -0.00001 -0.00008 109 2PX -0.00003 -0.00105 0.00000 -0.00007 -0.00020 110 2PY -0.00003 -0.00093 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00033 0.00000 0.00000 -0.00001 112 3S -0.00101 -0.00559 0.00002 -0.00048 -0.00262 113 3PX -0.00090 -0.00369 0.00009 -0.00106 -0.00088 114 3PY 0.00043 0.00128 0.00000 0.00000 0.00000 115 3PZ -0.00029 -0.00189 0.00000 -0.00014 -0.00047 116 4XX 0.00000 -0.00005 0.00000 0.00000 0.00005 117 4YY 0.00000 0.00010 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 120 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 122 16 H 1S -0.00001 -0.00034 0.00000 0.00000 -0.00003 123 2S -0.00032 -0.00070 0.00000 -0.00010 -0.00092 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00002 0.00000 0.00000 -0.00001 126 2PX 0.00000 0.00001 0.00000 -0.00001 -0.00008 127 2PY 0.00000 0.00007 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00001 129 3S 0.00003 0.00069 0.00001 -0.00016 -0.00112 130 3PX -0.00001 0.00007 0.00001 -0.00037 -0.00272 131 3PY 0.00006 0.00084 0.00000 -0.00005 0.00087 132 3PZ 0.00000 0.00009 0.00000 -0.00002 -0.00031 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00005 0.00000 0.00000 0.00017 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00007 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00002 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00006 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00071 0.00000 0.00000 0.00001 147 3PX -0.00003 0.00028 0.00000 0.00001 0.00002 148 3PY -0.00001 0.00031 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 150 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 151 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00001 0.00000 0.00000 0.00001 163 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00002 0.00000 0.00000 0.00000 177 3PX 0.00000 -0.00003 0.00000 0.00000 0.00000 178 3PY 0.00000 -0.00003 0.00000 0.00000 0.00000 179 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.41170 22 2PZ 0.00000 0.38735 23 3S 0.00000 0.00000 0.25657 24 3PX 0.00000 0.00000 0.00000 0.11423 25 3PY 0.07898 0.00000 0.00000 0.00000 0.06130 26 3PZ 0.00000 0.10136 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00336 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00179 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00184 0.00000 0.00000 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.02469 0.04423 0.04488 0.00941 0.01071 34 2S 0.01589 0.03013 0.03977 0.00698 0.00826 35 5 C 1S -0.00260 0.00000 -0.00020 0.00000 -0.00168 36 2S 0.04013 0.00000 0.01186 0.00000 0.02394 37 2PX 0.00000 0.00000 0.00000 0.02372 0.00000 38 2PY 0.09631 0.00000 0.03133 0.00000 0.01764 39 2PZ 0.00000 0.01027 0.00000 0.00000 0.00000 40 3S 0.03132 0.00000 -0.00808 0.00000 0.01027 41 3PX 0.00000 0.00000 0.00000 0.03718 0.00000 42 3PY 0.01764 0.00000 0.01027 0.00000 0.00165 43 3PZ 0.00000 0.01949 0.00000 0.00000 0.00000 44 4XX -0.00107 0.00000 -0.00151 0.00000 -0.00160 45 4YY 0.00205 0.00000 0.00390 0.00000 0.00105 46 4ZZ -0.00108 0.00000 -0.00126 0.00000 -0.00109 47 4XY 0.00000 0.00000 0.00000 0.00085 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00211 0.00000 0.00000 0.00000 50 6 H 1S -0.00056 -0.00007 -0.00415 0.00028 -0.00325 51 2S -0.00826 -0.00141 -0.01709 0.00085 -0.01373 52 7 C 1S 0.00000 0.00000 -0.00004 -0.00008 0.00010 53 2S -0.00031 -0.00006 -0.00114 0.00063 -0.00277 54 2PX -0.00025 -0.00010 0.00126 -0.00036 0.00122 55 2PY -0.00052 -0.00004 -0.00555 -0.00009 -0.00557 56 2PZ -0.00011 0.00000 0.00040 -0.00007 -0.00030 57 3S -0.00159 -0.00089 -0.00134 -0.00107 -0.00401 58 3PX -0.00122 -0.00095 0.00417 -0.00228 0.00340 59 3PY 0.00079 -0.00029 -0.00734 -0.00088 -0.00181 60 3PZ -0.00153 -0.00024 -0.00092 -0.00202 -0.00271 61 4XX -0.00001 0.00001 -0.00005 -0.00017 -0.00005 62 4YY 0.00013 0.00000 0.00045 0.00004 0.00068 63 4ZZ -0.00001 0.00000 -0.00015 0.00013 -0.00026 64 4XY 0.00006 0.00001 0.00010 0.00000 0.00012 65 4XZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 66 4YZ 0.00004 0.00000 0.00005 0.00005 0.00006 67 8 H 1S 0.00000 0.00000 0.00014 0.00000 0.00031 68 2S 0.00051 0.00001 0.00214 0.00013 0.00379 69 9 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 70 2S 0.00000 -0.00001 -0.00037 0.00008 -0.00019 71 2PX 0.00000 -0.00001 -0.00011 0.00006 -0.00031 72 2PY 0.00001 0.00000 -0.00022 -0.00036 0.00008 73 2PZ -0.00002 -0.00003 -0.00141 -0.00004 -0.00080 74 3S -0.00036 -0.00033 -0.00429 -0.00060 -0.00231 75 3PX -0.00003 -0.00011 -0.00050 0.00001 -0.00074 76 3PY 0.00009 0.00008 -0.00144 -0.00139 0.00003 77 3PZ -0.00074 -0.00039 -0.00501 0.00022 -0.00236 78 4XX 0.00000 0.00000 0.00004 0.00001 0.00003 79 4YY 0.00000 0.00000 0.00002 0.00001 0.00003 80 4ZZ 0.00000 0.00000 -0.00005 -0.00002 -0.00008 81 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 82 4XZ 0.00000 0.00000 0.00000 0.00001 0.00001 83 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 84 10 H 1S 0.00000 0.00000 0.00004 0.00000 -0.00002 85 2S -0.00001 0.00011 0.00057 -0.00013 -0.00023 86 11 H 1S 0.00000 0.00000 0.00001 0.00001 0.00002 87 2S 0.00001 -0.00001 0.00034 0.00028 0.00037 88 12 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 89 2S 0.00000 -0.00017 -0.00038 0.00021 -0.00003 90 2PX 0.00000 -0.00021 -0.00079 0.00012 -0.00007 91 2PY 0.00000 0.00000 -0.00002 -0.00002 0.00018 92 2PZ 0.00000 -0.00023 0.00011 -0.00019 -0.00012 93 3S 0.00002 -0.00374 0.00222 0.00333 -0.00013 94 3PX -0.00002 -0.00097 -0.00090 0.00003 -0.00011 95 3PY 0.00012 0.00009 0.00008 -0.00004 0.00091 96 3PZ 0.00004 -0.00191 0.00227 -0.00113 -0.00011 97 4XX 0.00000 0.00002 0.00007 -0.00006 0.00001 98 4YY 0.00000 0.00000 -0.00007 -0.00005 0.00000 99 4ZZ 0.00000 -0.00001 0.00002 0.00023 -0.00001 100 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 101 4XZ 0.00000 0.00007 0.00007 -0.00003 0.00001 102 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 103 13 H 1S 0.00000 0.00000 0.00005 -0.00002 0.00004 104 2S 0.00002 0.00040 0.00087 -0.00066 0.00043 105 14 H 1S 0.00000 -0.00001 -0.00013 0.00008 -0.00001 106 2S 0.00000 -0.00047 -0.00114 0.00026 -0.00006 107 15 C 1S 0.00000 0.00000 0.00003 0.00014 0.00000 108 2S 0.00000 0.00000 -0.00075 -0.00283 0.00000 109 2PX 0.00000 0.00000 0.00008 -0.00272 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 111 2PZ 0.00000 -0.00001 -0.00009 -0.00027 0.00000 112 3S 0.00000 -0.00017 -0.00106 -0.01258 0.00000 113 3PX 0.00000 0.00001 -0.00162 -0.00537 0.00001 114 3PY -0.00006 0.00000 0.00000 -0.00001 -0.00011 115 3PZ 0.00000 -0.00013 -0.00012 -0.00116 0.00000 116 4XX 0.00000 0.00000 -0.00007 0.00049 0.00000 117 4YY 0.00000 0.00000 0.00002 -0.00008 0.00000 118 4ZZ 0.00000 0.00000 0.00003 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00004 120 4XZ 0.00000 0.00000 0.00001 0.00003 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 -0.00001 -0.00013 -0.00128 0.00002 123 2S 0.00006 -0.00013 0.00017 -0.00243 0.00037 124 17 C 1S 0.00000 0.00000 0.00000 0.00004 0.00001 125 2S 0.00000 0.00000 0.00002 -0.00072 -0.00011 126 2PX -0.00001 -0.00001 -0.00080 -0.00360 -0.00061 127 2PY 0.00000 0.00000 0.00003 0.00026 -0.00001 128 2PZ 0.00000 0.00000 -0.00005 -0.00035 -0.00003 129 3S -0.00012 -0.00009 -0.00180 -0.00690 -0.00140 130 3PX -0.00029 -0.00024 -0.00276 -0.01054 -0.00186 131 3PY 0.00001 0.00008 0.00000 0.00395 -0.00003 132 3PZ -0.00005 0.00038 -0.00046 -0.00166 -0.00023 133 4XX 0.00000 0.00000 -0.00001 0.00004 -0.00001 134 4YY 0.00000 0.00000 -0.00001 -0.00005 0.00000 135 4ZZ 0.00000 0.00000 0.00001 0.00004 0.00000 136 4XY 0.00000 0.00000 0.00000 -0.00002 0.00001 137 4XZ 0.00000 0.00000 -0.00001 -0.00001 -0.00001 138 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 18 H 1S 0.00000 0.00000 0.00001 0.00004 0.00002 140 2S -0.00001 0.00005 0.00013 0.00134 0.00026 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 143 2PX 0.00000 0.00000 0.00001 0.00002 0.00001 144 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 145 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 146 3S 0.00000 0.00000 0.00003 0.00041 0.00004 147 3PX 0.00000 0.00000 0.00019 0.00052 0.00010 148 3PY 0.00000 0.00000 -0.00006 -0.00007 0.00001 149 3PZ 0.00000 0.00000 -0.00007 -0.00007 -0.00001 150 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00002 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00004 0.00014 0.00002 162 3PX 0.00000 0.00000 0.00011 0.00055 0.00009 163 3PY 0.00000 0.00000 0.00004 0.00008 0.00001 164 3PZ 0.00000 0.00000 -0.00001 -0.00005 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 -0.00006 0.00001 177 3PX 0.00000 0.00000 -0.00001 -0.00002 0.00001 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 -0.00001 -0.00006 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00002 -0.00005 0.00000 26 27 28 29 30 26 3PZ 0.10689 27 4XX 0.00000 0.00089 28 4YY 0.00000 -0.00009 0.00109 29 4ZZ 0.00000 0.00008 -0.00004 0.00083 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00099 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.01900 -0.00018 -0.00076 0.00104 0.00139 34 2S 0.01793 0.00055 -0.00124 0.00199 0.00032 35 5 C 1S 0.00000 0.00000 -0.00026 0.00000 0.00000 36 2S 0.00000 -0.00044 0.00350 -0.00045 0.00000 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00200 38 2PY 0.00000 -0.00107 0.00205 -0.00108 0.00000 39 2PZ 0.01949 0.00000 0.00000 0.00000 0.00000 40 3S 0.00000 -0.00151 0.00390 -0.00126 0.00000 41 3PX 0.00000 0.00000 0.00000 0.00000 0.00085 42 3PY 0.00000 -0.00160 0.00105 -0.00109 0.00000 43 3PZ 0.02986 0.00000 0.00000 0.00000 0.00000 44 4XX 0.00000 0.00001 -0.00003 0.00001 0.00000 45 4YY 0.00000 -0.00003 -0.00008 -0.00004 0.00000 46 4ZZ 0.00000 0.00001 -0.00004 0.00002 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 -0.00012 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00093 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00017 0.00000 0.00002 0.00000 0.00003 51 2S -0.00029 0.00012 -0.00016 0.00013 0.00015 52 7 C 1S -0.00005 0.00000 0.00000 0.00000 0.00000 53 2S -0.00014 0.00000 0.00002 0.00000 0.00002 54 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 55 2PY 0.00005 0.00000 0.00006 0.00000 0.00006 56 2PZ -0.00055 0.00000 0.00002 0.00000 0.00003 57 3S 0.00038 -0.00001 0.00010 0.00004 0.00015 58 3PX -0.00078 0.00009 -0.00007 -0.00002 0.00001 59 3PY 0.00071 0.00001 0.00013 0.00001 0.00015 60 3PZ -0.00304 -0.00006 0.00006 0.00005 0.00010 61 4XX 0.00021 0.00000 0.00000 0.00000 0.00000 62 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 63 4ZZ -0.00009 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00002 0.00000 -0.00001 0.00000 -0.00001 69 9 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 70 2S -0.00054 0.00000 0.00000 0.00000 0.00000 71 2PX -0.00012 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00011 0.00000 0.00000 0.00000 0.00000 73 2PZ -0.00142 0.00000 0.00000 0.00000 0.00000 74 3S -0.00141 -0.00002 0.00003 0.00003 0.00000 75 3PX -0.00025 -0.00001 0.00000 0.00001 0.00000 76 3PY 0.00078 -0.00002 0.00004 -0.00002 0.00000 77 3PZ -0.00298 0.00001 -0.00002 0.00003 -0.00003 78 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 79 4YY -0.00006 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 81 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 82 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00012 0.00000 0.00000 0.00000 0.00000 85 2S 0.00166 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00009 0.00000 0.00000 0.00000 0.00000 88 12 C 1S 0.00014 0.00000 0.00000 0.00000 0.00000 89 2S -0.00210 0.00000 0.00000 0.00001 0.00000 90 2PX -0.00211 0.00000 0.00000 0.00002 0.00000 91 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00052 0.00000 0.00000 0.00006 0.00000 93 3S -0.01007 0.00009 -0.00011 0.00018 0.00000 94 3PX -0.00262 0.00000 -0.00003 0.00016 0.00000 95 3PY 0.00015 0.00000 0.00000 0.00000 -0.00003 96 3PZ 0.00159 0.00000 -0.00013 0.00050 -0.00001 97 4XX 0.00026 0.00000 0.00000 0.00000 0.00000 98 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 99 4ZZ -0.00019 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00029 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00014 0.00000 0.00000 0.00000 0.00000 104 2S 0.00250 -0.00001 0.00000 -0.00001 0.00000 105 14 H 1S -0.00094 0.00000 0.00000 0.00000 0.00000 106 2S -0.00368 0.00002 0.00000 -0.00004 0.00000 107 15 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 108 2S -0.00009 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00030 0.00004 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00006 0.00000 0.00000 0.00000 0.00000 112 3S -0.00088 0.00011 -0.00004 0.00000 0.00000 113 3PX -0.00031 0.00058 -0.00013 -0.00015 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 115 3PZ 0.00099 0.00007 -0.00001 -0.00001 0.00000 116 4XX 0.00008 0.00000 0.00000 0.00000 0.00000 117 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00054 0.00000 0.00000 0.00000 0.00000 123 2S -0.00134 -0.00007 0.00001 0.00004 -0.00002 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S -0.00008 0.00000 0.00000 0.00000 0.00000 126 2PX -0.00027 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00004 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00032 0.00000 0.00000 0.00000 0.00000 129 3S -0.00056 0.00001 0.00001 -0.00001 -0.00002 130 3PX -0.00111 0.00002 -0.00001 0.00000 0.00002 131 3PY 0.00035 -0.00001 0.00001 0.00000 0.00000 132 3PZ 0.00224 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 140 2S 0.00051 0.00001 0.00000 0.00000 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00005 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00002 0.00000 0.00000 0.00000 0.00000 148 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00007 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00000 0.00000 0.00000 0.00000 162 3PX -0.00005 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 164 3PZ -0.00003 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 4XZ 0.00070 32 4YZ 0.00000 0.00115 33 4 H 1S 0.00183 0.00209 0.21682 34 2S 0.00031 0.00048 0.11750 0.17042 35 5 C 1S 0.00000 0.00000 0.00000 0.00020 2.05281 36 2S 0.00000 0.00000 -0.00017 -0.00270 -0.01340 37 2PX 0.00000 0.00000 -0.00007 -0.00102 0.00000 38 2PY 0.00000 0.00000 -0.00056 -0.00825 0.00000 39 2PZ 0.00000 0.00211 -0.00007 -0.00141 0.00000 40 3S 0.00000 0.00000 -0.00415 -0.01709 -0.03015 41 3PX 0.00000 0.00000 0.00028 0.00085 0.00000 42 3PY 0.00000 0.00000 -0.00325 -0.01373 0.00000 43 3PZ 0.00000 0.00093 0.00017 -0.00029 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00012 -0.00116 45 4YY 0.00000 0.00000 0.00002 -0.00016 -0.00135 46 4ZZ 0.00000 0.00000 0.00000 0.00013 -0.00123 47 4XY 0.00000 0.00000 0.00003 0.00015 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 -0.00020 0.00005 0.00023 0.00000 50 6 H 1S 0.00000 0.00005 -0.00001 -0.00094 -0.00203 51 2S 0.00000 0.00023 -0.00094 -0.00557 -0.00130 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00001 0.00000 0.00013 -0.00053 54 2PX 0.00000 0.00005 0.00000 0.00023 -0.00132 55 2PY 0.00000 0.00002 0.00000 0.00018 -0.00062 56 2PZ 0.00000 0.00000 0.00000 0.00012 -0.00089 57 3S 0.00001 0.00009 0.00011 0.00174 -0.00052 58 3PX 0.00000 0.00017 0.00013 0.00165 -0.00090 59 3PY 0.00000 0.00005 0.00005 0.00107 -0.00052 60 3PZ 0.00000 0.00002 0.00007 0.00078 -0.00035 61 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 62 4YY 0.00000 0.00000 0.00000 -0.00002 0.00002 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 65 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00012 66 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00006 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 -0.00013 0.00017 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 74 3S -0.00001 -0.00003 0.00000 -0.00001 0.00003 75 3PX 0.00000 -0.00001 0.00000 -0.00005 0.00004 76 3PY -0.00002 0.00001 0.00000 -0.00002 0.00000 77 3PZ 0.00000 -0.00001 0.00000 -0.00009 0.00012 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 0.00002 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00000 0.00008 0.00000 90 2PX 0.00001 0.00000 0.00000 0.00008 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 92 2PZ 0.00005 0.00000 0.00000 0.00033 0.00000 93 3S 0.00007 0.00000 0.00008 0.00136 0.00002 94 3PX 0.00001 0.00000 0.00002 0.00044 0.00000 95 3PY 0.00000 -0.00001 0.00001 0.00015 0.00001 96 3PZ 0.00018 0.00000 0.00020 0.00270 0.00002 97 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 -0.00019 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 -0.00001 0.00000 -0.00004 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00001 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00020 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 112 3S 0.00000 0.00000 0.00002 0.00054 0.00001 113 3PX 0.00001 0.00000 0.00003 0.00074 0.00001 114 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 115 3PZ 0.00001 0.00000 -0.00003 -0.00030 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 123 2S 0.00000 0.00000 0.00005 0.00049 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 -0.00008 0.00002 130 3PX 0.00000 0.00000 0.00001 0.00013 0.00009 131 3PY 0.00000 0.00000 0.00000 -0.00007 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 147 3PX 0.00000 0.00000 0.00000 -0.00003 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.32266 37 2PX 0.00000 0.37618 38 2PY 0.00000 0.00000 0.41170 39 2PZ 0.00000 0.00000 0.00000 0.38736 40 3S 0.20198 0.00000 0.00000 0.00000 0.25659 41 3PX 0.00000 0.10028 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 0.07898 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.10137 0.00000 44 4XX -0.00602 0.00000 0.00000 0.00000 -0.00337 45 4YY -0.00210 0.00000 0.00000 0.00000 -0.00179 46 4ZZ -0.00449 0.00000 0.00000 0.00000 -0.00184 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.03114 0.02929 0.02471 0.04421 0.04488 51 2S 0.01232 0.01958 0.01590 0.03012 0.03977 52 7 C 1S -0.00057 -0.00140 -0.00060 -0.00088 0.00096 53 2S 0.01123 0.02027 0.00923 0.01268 0.00473 54 2PX 0.02036 0.00211 0.01743 0.03756 0.00971 55 2PY 0.00864 0.01699 -0.00046 0.00690 0.01163 56 2PZ 0.01337 0.03195 0.00914 0.00069 0.00546 57 3S 0.01124 0.02306 0.00560 0.01237 -0.02026 58 3PX 0.01201 0.00115 0.00771 0.01954 -0.00120 59 3PY 0.00619 0.00725 -0.00014 0.00223 0.00445 60 3PZ 0.00406 0.01357 0.00383 0.00204 -0.00160 61 4XX 0.00053 -0.00101 0.00076 0.00131 0.00117 62 4YY -0.00043 -0.00026 -0.00022 -0.00017 -0.00156 63 4ZZ -0.00017 0.00038 0.00015 -0.00069 0.00065 64 4XY 0.00080 0.00030 -0.00002 0.00115 0.00020 65 4XZ 0.00120 0.00041 0.00092 0.00003 0.00042 66 4YZ 0.00064 0.00119 -0.00001 0.00007 0.00019 67 8 H 1S -0.00016 -0.00018 -0.00044 -0.00007 -0.00434 68 2S -0.00235 -0.00240 -0.00628 -0.00033 -0.01432 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 70 2S -0.00004 -0.00004 0.00000 -0.00017 -0.00038 71 2PX -0.00007 -0.00001 0.00000 -0.00021 -0.00079 72 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 73 2PZ -0.00017 -0.00030 0.00000 -0.00023 0.00011 74 3S -0.00072 -0.00009 0.00002 -0.00374 0.00222 75 3PX -0.00064 -0.00002 -0.00002 -0.00097 -0.00090 76 3PY 0.00003 0.00001 0.00012 0.00009 0.00008 77 3PZ -0.00211 -0.00313 0.00004 -0.00191 0.00227 78 4XX 0.00000 0.00000 0.00000 0.00002 0.00007 79 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 80 4ZZ 0.00000 0.00003 0.00000 -0.00001 0.00002 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00001 0.00000 0.00000 0.00007 0.00007 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00013 85 2S -0.00007 0.00009 0.00000 -0.00047 -0.00114 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 87 2S 0.00015 0.00002 0.00002 0.00040 0.00087 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 89 2S 0.00000 0.00000 0.00000 -0.00001 -0.00037 90 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00011 91 2PY 0.00000 -0.00002 0.00001 0.00000 -0.00022 92 2PZ -0.00001 0.00001 -0.00002 -0.00003 -0.00141 93 3S -0.00039 -0.00012 -0.00036 -0.00033 -0.00429 94 3PX -0.00005 0.00002 -0.00003 -0.00011 -0.00050 95 3PY -0.00021 -0.00047 0.00009 0.00008 -0.00144 96 3PZ -0.00030 0.00034 -0.00074 -0.00039 -0.00501 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00004 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00005 100 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 104 2S 0.00000 0.00000 0.00001 -0.00001 0.00034 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00004 106 2S 0.00001 -0.00002 -0.00001 0.00011 0.00057 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00001 0.00000 0.00000 0.00002 109 2PX -0.00001 -0.00008 -0.00001 -0.00001 -0.00080 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00003 111 2PZ 0.00000 -0.00001 0.00000 0.00000 -0.00005 112 3S -0.00016 -0.00111 -0.00012 -0.00009 -0.00180 113 3PX -0.00037 -0.00272 -0.00029 -0.00024 -0.00277 114 3PY -0.00005 0.00087 0.00001 0.00008 0.00000 115 3PZ -0.00002 -0.00031 -0.00005 0.00038 -0.00046 116 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 117 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 123 2S 0.00000 0.00017 -0.00001 0.00005 0.00013 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00003 125 2S -0.00001 -0.00008 0.00000 0.00000 -0.00075 126 2PX -0.00007 -0.00020 0.00000 0.00000 0.00008 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 -0.00001 0.00000 -0.00001 -0.00009 129 3S -0.00048 -0.00263 0.00000 -0.00017 -0.00106 130 3PX -0.00106 -0.00088 0.00000 0.00001 -0.00163 131 3PY 0.00000 0.00000 -0.00006 0.00000 0.00000 132 3PZ -0.00014 -0.00047 0.00000 -0.00013 -0.00012 133 4XX 0.00000 0.00005 0.00000 0.00000 -0.00007 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 -0.00003 0.00000 -0.00001 -0.00013 140 2S -0.00010 -0.00093 0.00006 -0.00013 0.00017 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00004 147 3PX 0.00000 0.00001 0.00000 0.00000 0.00011 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00004 149 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00001 0.00000 0.00000 0.00003 162 3PX 0.00001 0.00002 0.00000 0.00000 0.00019 163 3PY 0.00000 0.00000 0.00000 0.00000 -0.00006 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 -0.00002 177 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 41 42 43 44 45 41 3PX 0.11424 42 3PY 0.00000 0.06130 43 3PZ 0.00000 0.00000 0.10690 44 4XX 0.00000 0.00000 0.00000 0.00089 45 4YY 0.00000 0.00000 0.00000 -0.00009 0.00109 46 4ZZ 0.00000 0.00000 0.00000 0.00008 -0.00004 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00941 0.01072 0.01899 -0.00018 -0.00076 51 2S 0.00697 0.00827 0.01792 0.00055 -0.00123 52 7 C 1S -0.00030 -0.00034 0.00043 -0.00003 0.00001 53 2S 0.01021 0.00243 0.00222 0.00044 -0.00044 54 2PX 0.00201 0.01163 0.01563 -0.00079 -0.00030 55 2PY 0.00727 0.00109 0.00050 0.00069 -0.00024 56 2PZ 0.01121 0.00378 0.00350 0.00099 -0.00034 57 3S 0.01072 -0.00089 -0.00142 0.00122 -0.00081 58 3PX 0.01228 0.00969 0.01468 -0.00115 0.00014 59 3PY 0.00355 0.00215 -0.00102 0.00051 -0.00057 60 3PZ 0.00865 0.00030 0.01108 0.00142 -0.00055 61 4XX -0.00155 0.00070 0.00185 -0.00001 -0.00003 62 4YY -0.00032 -0.00043 -0.00019 -0.00005 0.00004 63 4ZZ 0.00156 -0.00022 -0.00119 0.00005 -0.00005 64 4XY 0.00000 0.00000 0.00014 -0.00003 0.00000 65 4XZ -0.00002 0.00017 0.00003 -0.00002 -0.00004 66 4YZ 0.00017 -0.00001 0.00003 0.00000 0.00000 67 8 H 1S -0.00163 -0.00081 -0.00046 -0.00001 0.00008 68 2S -0.00559 -0.00279 -0.00005 -0.00027 0.00090 69 9 C 1S 0.00000 0.00000 0.00014 0.00000 0.00000 70 2S 0.00021 -0.00003 -0.00210 0.00000 0.00000 71 2PX 0.00012 -0.00006 -0.00212 0.00000 0.00000 72 2PY -0.00002 0.00018 0.00001 0.00000 0.00000 73 2PZ -0.00020 -0.00012 0.00052 0.00000 0.00000 74 3S 0.00333 -0.00013 -0.01007 0.00009 -0.00011 75 3PX 0.00003 -0.00011 -0.00262 0.00000 -0.00003 76 3PY -0.00004 0.00091 0.00014 0.00000 0.00000 77 3PZ -0.00113 -0.00011 0.00159 0.00000 -0.00013 78 4XX -0.00006 0.00001 0.00026 0.00000 0.00000 79 4YY -0.00005 0.00000 -0.00004 0.00000 0.00000 80 4ZZ 0.00023 -0.00001 -0.00019 0.00000 0.00000 81 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 82 4XZ -0.00003 0.00001 0.00029 0.00000 0.00000 83 4YZ 0.00000 -0.00005 0.00000 0.00000 0.00000 84 10 H 1S 0.00008 -0.00001 -0.00094 0.00000 0.00000 85 2S 0.00025 -0.00006 -0.00368 0.00002 0.00000 86 11 H 1S -0.00002 0.00004 0.00014 0.00000 0.00000 87 2S -0.00066 0.00043 0.00250 -0.00001 0.00000 88 12 C 1S 0.00000 0.00001 0.00002 0.00000 0.00000 89 2S 0.00008 -0.00019 -0.00054 0.00000 0.00000 90 2PX 0.00006 -0.00031 -0.00012 0.00000 0.00000 91 2PY -0.00036 0.00008 0.00011 0.00000 0.00000 92 2PZ -0.00004 -0.00080 -0.00142 0.00000 0.00000 93 3S -0.00060 -0.00231 -0.00141 -0.00002 0.00003 94 3PX 0.00001 -0.00074 -0.00025 -0.00001 0.00000 95 3PY -0.00139 0.00003 0.00078 -0.00002 0.00004 96 3PZ 0.00022 -0.00236 -0.00298 0.00001 -0.00002 97 4XX 0.00001 0.00003 0.00004 0.00000 0.00000 98 4YY 0.00001 0.00003 -0.00006 0.00000 0.00000 99 4ZZ -0.00002 -0.00008 0.00002 0.00000 0.00000 100 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 101 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00000 102 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 103 13 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 104 2S 0.00028 0.00037 -0.00009 0.00000 0.00000 105 14 H 1S 0.00000 -0.00002 0.00012 0.00000 0.00000 106 2S -0.00013 -0.00023 0.00166 0.00000 0.00000 107 15 C 1S 0.00004 0.00001 0.00000 0.00000 0.00000 108 2S -0.00072 -0.00011 -0.00008 0.00000 0.00000 109 2PX -0.00360 -0.00061 -0.00027 0.00000 0.00000 110 2PY 0.00026 -0.00001 0.00004 0.00000 0.00000 111 2PZ -0.00035 -0.00003 0.00032 0.00000 0.00000 112 3S -0.00690 -0.00140 -0.00056 0.00001 0.00001 113 3PX -0.01054 -0.00186 -0.00111 0.00002 -0.00001 114 3PY 0.00395 -0.00003 0.00035 -0.00001 0.00001 115 3PZ -0.00166 -0.00023 0.00224 0.00000 0.00000 116 4XX 0.00004 -0.00001 0.00000 0.00000 0.00000 117 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00004 0.00000 0.00000 0.00000 0.00000 119 4XY -0.00002 0.00001 0.00000 0.00000 0.00000 120 4XZ -0.00001 -0.00001 0.00000 0.00000 0.00000 121 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00004 0.00002 0.00001 0.00000 0.00000 123 2S 0.00134 0.00026 0.00051 0.00001 0.00000 124 17 C 1S 0.00014 0.00000 0.00001 0.00000 0.00000 125 2S -0.00283 0.00000 -0.00009 0.00000 0.00000 126 2PX -0.00272 0.00000 -0.00030 0.00004 0.00000 127 2PY 0.00000 -0.00011 0.00000 0.00000 0.00000 128 2PZ -0.00027 0.00000 -0.00006 0.00000 0.00000 129 3S -0.01259 0.00000 -0.00088 0.00012 -0.00004 130 3PX -0.00537 0.00001 -0.00031 0.00058 -0.00013 131 3PY -0.00001 -0.00011 0.00000 0.00000 0.00000 132 3PZ -0.00116 0.00000 0.00099 0.00007 -0.00001 133 4XX 0.00049 0.00000 0.00008 0.00000 0.00000 134 4YY -0.00008 0.00000 -0.00001 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 -0.00004 0.00000 0.00000 0.00000 137 4XZ 0.00003 0.00000 -0.00002 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S -0.00128 0.00002 -0.00054 0.00000 0.00000 140 2S -0.00243 0.00037 -0.00134 -0.00007 0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00014 0.00002 -0.00001 0.00000 0.00000 147 3PX 0.00056 0.00009 -0.00005 0.00000 0.00000 148 3PY 0.00008 0.00001 0.00001 0.00000 0.00000 149 3PZ -0.00005 0.00000 -0.00003 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00001 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00002 0.00001 0.00000 0.00000 0.00000 159 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 161 3S 0.00041 0.00004 -0.00005 0.00000 0.00000 162 3PX 0.00052 0.00010 0.00002 0.00000 0.00000 163 3PY -0.00007 0.00001 -0.00001 0.00000 0.00000 164 3PZ -0.00007 -0.00001 0.00007 0.00000 0.00000 165 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 166 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00006 0.00001 0.00000 0.00000 0.00000 177 3PX -0.00002 0.00001 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ -0.00006 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00005 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00083 47 4XY 0.00000 0.00099 48 4XZ 0.00000 0.00000 0.00070 49 4YZ 0.00000 0.00000 0.00000 0.00115 50 6 H 1S 0.00104 0.00139 0.00183 0.00209 0.21682 51 2S 0.00199 0.00032 0.00031 0.00048 0.11750 52 7 C 1S 0.00000 -0.00008 -0.00009 -0.00006 0.00000 53 2S 0.00006 0.00082 0.00098 0.00068 -0.00019 54 2PX 0.00047 0.00025 0.00038 0.00127 -0.00036 55 2PY 0.00022 -0.00001 0.00102 -0.00001 0.00000 56 2PZ -0.00053 0.00119 -0.00006 0.00005 -0.00035 57 3S -0.00050 0.00049 0.00026 0.00033 -0.00418 58 3PX 0.00084 -0.00001 -0.00001 0.00030 -0.00265 59 3PY -0.00022 -0.00001 0.00009 0.00003 -0.00011 60 3PZ -0.00081 0.00025 0.00002 0.00004 -0.00110 61 4XX 0.00001 0.00000 0.00001 -0.00008 0.00003 62 4YY -0.00005 0.00000 -0.00010 0.00000 -0.00001 63 4ZZ 0.00001 -0.00010 0.00001 -0.00002 0.00005 64 4XY -0.00004 0.00001 0.00000 0.00001 0.00000 65 4XZ 0.00001 -0.00002 0.00004 0.00001 0.00004 66 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00001 0.00004 -0.00001 0.00002 -0.00001 68 2S -0.00022 0.00009 -0.00008 0.00007 -0.00097 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00001 0.00000 0.00001 0.00000 0.00000 71 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00006 0.00000 0.00005 0.00000 0.00000 74 3S 0.00018 0.00000 0.00007 0.00000 0.00008 75 3PX 0.00016 0.00000 0.00001 0.00000 0.00002 76 3PY 0.00000 -0.00003 0.00000 -0.00001 0.00001 77 3PZ 0.00050 -0.00001 0.00018 0.00000 0.00020 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00004 0.00000 -0.00001 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00001 0.00000 0.00000 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00003 0.00000 -0.00001 -0.00003 0.00000 94 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 95 3PY -0.00002 0.00000 -0.00002 0.00001 0.00000 96 3PZ 0.00003 -0.00003 0.00000 -0.00001 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00001 -0.00002 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00002 0.00000 0.00000 0.00001 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 0.00000 0.00002 130 3PX -0.00015 0.00000 0.00001 0.00000 0.00003 131 3PY 0.00000 0.00003 0.00000 0.00000 -0.00001 132 3PZ -0.00001 0.00000 0.00001 0.00000 -0.00003 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00004 -0.00002 0.00000 0.00000 0.00005 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.17042 52 7 C 1S 0.00026 2.05539 53 2S -0.00339 -0.01307 0.32425 54 2PX -0.00590 0.00000 0.00000 0.36207 55 2PY 0.00001 0.00000 0.00000 0.00000 0.40928 56 2PZ -0.00530 0.00000 0.00000 0.00000 0.00000 57 3S -0.01533 -0.03818 0.23929 0.00000 0.00000 58 3PX -0.01113 0.00000 0.00000 0.10855 0.00000 59 3PY -0.00023 0.00000 0.00000 0.00000 0.07771 60 3PZ -0.00439 0.00000 0.00000 0.00000 0.00000 61 4XX 0.00020 -0.00091 -0.00868 0.00000 0.00000 62 4YY -0.00033 -0.00143 0.00094 0.00000 0.00000 63 4ZZ 0.00061 -0.00110 -0.00513 0.00000 0.00000 64 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00007 0.00000 0.00000 0.00000 0.00000 66 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00090 -0.00195 0.03087 0.00198 0.09591 68 2S -0.00558 -0.00123 0.01240 0.00047 0.06347 69 9 C 1S 0.00000 0.00000 -0.00020 -0.00011 -0.00025 70 2S 0.00008 -0.00021 0.00538 0.00222 0.00442 71 2PX 0.00008 -0.00009 0.00170 0.00028 0.00087 72 2PY 0.00001 -0.00020 0.00394 0.00071 -0.00065 73 2PZ 0.00033 -0.00122 0.02452 0.00735 0.01431 74 3S 0.00136 0.00031 0.00613 0.00482 0.00944 75 3PX 0.00043 -0.00007 0.00173 0.00080 0.00055 76 3PY 0.00015 -0.00031 0.00272 0.00068 0.00019 77 3PZ 0.00270 -0.00108 0.01931 0.00309 0.00771 78 4XX -0.00001 0.00000 -0.00029 0.00003 -0.00007 79 4YY 0.00000 0.00000 -0.00018 -0.00003 -0.00006 80 4ZZ 0.00001 -0.00008 0.00167 0.00056 0.00111 81 4XY 0.00000 0.00000 0.00007 0.00004 0.00000 82 4XZ -0.00001 -0.00002 0.00040 0.00051 0.00020 83 4YZ 0.00000 -0.00005 0.00085 0.00021 0.00006 84 10 H 1S 0.00000 0.00000 -0.00020 0.00001 -0.00001 85 2S -0.00004 0.00020 -0.00357 -0.00015 -0.00012 86 11 H 1S 0.00000 0.00000 -0.00013 -0.00024 0.00000 87 2S -0.00019 0.00019 -0.00269 -0.00596 -0.00013 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 -0.00002 0.00000 -0.00009 90 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 91 2PY 0.00000 0.00000 -0.00013 0.00000 -0.00029 92 2PZ -0.00001 0.00000 -0.00004 -0.00001 -0.00005 93 3S -0.00001 -0.00002 -0.00047 -0.00033 -0.00343 94 3PX -0.00005 0.00000 -0.00009 0.00016 -0.00020 95 3PY -0.00002 0.00008 -0.00196 -0.00015 -0.00455 96 3PZ -0.00009 -0.00001 -0.00049 -0.00013 -0.00019 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00003 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00002 0.00000 0.00009 0.00011 0.00015 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00001 0.00000 0.00008 0.00001 0.00012 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00001 -0.00001 109 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 110 2PY -0.00001 0.00000 0.00000 -0.00003 -0.00002 111 2PZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 112 3S -0.00008 0.00000 -0.00040 -0.00020 -0.00091 113 3PX 0.00013 0.00002 -0.00049 -0.00020 -0.00027 114 3PY -0.00007 -0.00001 -0.00012 -0.00030 -0.00069 115 3PZ 0.00003 0.00000 -0.00036 -0.00039 -0.00021 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00002 0.00004 0.00005 124 17 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 125 2S 0.00001 0.00000 -0.00022 0.00045 0.00006 126 2PX 0.00020 0.00000 0.00019 0.00410 0.00073 127 2PY 0.00001 0.00000 -0.00004 0.00045 -0.00002 128 2PZ -0.00002 0.00000 0.00025 0.00286 0.00032 129 3S 0.00054 0.00026 -0.00044 0.00421 0.00166 130 3PX 0.00074 0.00004 -0.00086 0.00891 0.00223 131 3PY -0.00001 0.00000 -0.00060 0.00145 0.00048 132 3PZ -0.00030 0.00006 0.00096 0.01020 0.00112 133 4XX 0.00000 0.00000 0.00008 0.00019 0.00005 134 4YY 0.00000 0.00000 -0.00001 -0.00003 0.00000 135 4ZZ 0.00000 0.00000 -0.00001 -0.00004 0.00000 136 4XY 0.00000 0.00000 0.00002 0.00005 0.00000 137 4XZ 0.00000 0.00000 0.00006 0.00019 0.00003 138 4YZ 0.00000 0.00000 0.00002 0.00003 0.00000 139 18 H 1S 0.00001 0.00000 -0.00005 -0.00009 0.00000 140 2S 0.00049 0.00007 -0.00110 -0.00183 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 -0.00003 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00000 -0.00007 -0.00036 0.00000 162 3PX -0.00003 0.00001 -0.00036 -0.00226 -0.00004 163 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00002 164 3PZ 0.00000 0.00000 -0.00003 -0.00024 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00004 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00002 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00004 0.00000 56 57 58 59 60 56 2PZ 0.38250 57 3S 0.00000 0.32239 58 3PX 0.00000 0.00000 0.11516 59 3PY 0.00000 0.00000 0.00000 0.06049 60 3PZ 0.09772 0.00000 0.00000 0.00000 0.09829 61 4XX 0.00000 -0.00704 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00244 0.00000 0.00000 0.00000 63 4ZZ 0.00000 -0.00412 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00073 0.04336 0.00041 0.04370 0.00037 68 2S 0.00051 0.02277 -0.00096 0.04289 0.00002 69 9 C 1S -0.00100 -0.00010 -0.00012 -0.00034 -0.00060 70 2S 0.01946 0.00513 0.00152 0.00368 0.01107 71 2PX 0.00647 0.00182 0.00049 0.00002 0.00181 72 2PY 0.01310 0.00319 0.00033 -0.00176 0.00757 73 2PZ 0.04584 0.02174 0.00371 0.00275 0.01224 74 3S 0.01905 0.00005 0.00616 0.00689 0.00319 75 3PX 0.00365 0.00115 0.00055 -0.00016 0.00159 76 3PY 0.00705 0.00294 0.00025 -0.00224 0.00499 77 3PZ 0.01579 0.00798 0.00182 -0.00017 0.00191 78 4XX -0.00044 -0.00101 -0.00024 -0.00002 -0.00004 79 4YY -0.00035 -0.00039 -0.00013 -0.00036 -0.00016 80 4ZZ 0.00032 0.00251 0.00058 0.00056 -0.00041 81 4XY 0.00020 0.00004 0.00006 0.00002 0.00003 82 4XZ 0.00056 0.00013 0.00050 0.00000 0.00014 83 4YZ 0.00129 0.00034 0.00004 0.00025 0.00018 84 10 H 1S -0.00043 -0.00123 -0.00006 0.00017 -0.00549 85 2S -0.00646 -0.00414 -0.00073 0.00036 -0.01724 86 11 H 1S -0.00029 -0.00205 -0.00186 0.00011 0.00005 87 2S -0.00244 -0.01204 -0.01215 -0.00024 0.00530 88 12 C 1S 0.00000 0.00001 0.00001 0.00005 0.00002 89 2S -0.00005 -0.00037 -0.00011 -0.00094 -0.00050 90 2PX 0.00000 -0.00010 -0.00009 -0.00001 0.00003 91 2PY -0.00019 -0.00129 -0.00019 -0.00119 -0.00180 92 2PZ -0.00006 0.00030 -0.00021 0.00203 -0.00047 93 3S -0.00016 -0.00128 -0.00151 -0.00629 0.00102 94 3PX -0.00001 -0.00029 0.00019 -0.00017 0.00011 95 3PY -0.00167 -0.00401 -0.00067 -0.00408 -0.00304 96 3PZ -0.00033 0.00092 -0.00047 0.00298 -0.00016 97 4XX 0.00000 0.00001 0.00001 -0.00006 0.00001 98 4YY 0.00000 0.00004 0.00003 0.00006 -0.00010 99 4ZZ 0.00000 -0.00002 -0.00003 0.00006 0.00005 100 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 101 4XZ 0.00000 0.00000 -0.00002 0.00001 -0.00001 102 4YZ 0.00003 0.00005 0.00002 0.00002 0.00007 103 13 H 1S 0.00000 0.00003 0.00005 -0.00005 0.00003 104 2S 0.00007 0.00051 0.00091 -0.00014 -0.00001 105 14 H 1S 0.00000 -0.00002 0.00000 -0.00013 0.00024 106 2S 0.00023 -0.00007 0.00004 -0.00032 0.00190 107 15 C 1S 0.00000 0.00000 0.00001 -0.00001 0.00001 108 2S 0.00000 -0.00014 -0.00023 -0.00008 -0.00015 109 2PX 0.00000 0.00019 -0.00038 0.00076 -0.00006 110 2PY -0.00001 -0.00020 -0.00073 -0.00006 -0.00054 111 2PZ 0.00000 -0.00005 -0.00050 0.00028 0.00000 112 3S 0.00021 -0.00050 -0.00097 -0.00001 0.00042 113 3PX -0.00038 -0.00053 -0.00112 0.00119 -0.00113 114 3PY 0.00026 -0.00125 -0.00018 -0.00085 -0.00026 115 3PZ 0.00001 0.00024 -0.00219 0.00119 -0.00010 116 4XX 0.00000 -0.00001 -0.00003 0.00001 -0.00001 117 4YY 0.00000 0.00003 0.00001 0.00002 0.00001 118 4ZZ 0.00000 -0.00001 0.00001 -0.00003 0.00000 119 4XY 0.00000 0.00001 0.00008 0.00004 0.00006 120 4XZ 0.00000 0.00001 -0.00002 0.00002 0.00000 121 4YZ 0.00000 0.00002 0.00008 0.00003 0.00001 122 16 H 1S 0.00000 0.00001 0.00004 0.00000 0.00004 123 2S 0.00006 0.00026 0.00059 0.00004 0.00065 124 17 C 1S 0.00000 0.00007 0.00007 -0.00004 -0.00012 125 2S 0.00014 0.00035 -0.00045 0.00083 0.00142 126 2PX 0.00179 0.00123 0.00901 0.00164 0.00728 127 2PY 0.00011 0.00003 0.00101 -0.00014 0.00103 128 2PZ 0.00071 0.00305 0.00850 0.00147 0.00052 129 3S -0.00084 0.00289 0.00395 0.00267 0.00242 130 3PX 0.00760 0.00414 0.00968 0.00332 0.01446 131 3PY 0.00107 0.00013 0.00211 -0.00029 0.00219 132 3PZ 0.00028 0.00489 0.01513 0.00191 -0.00263 133 4XX 0.00018 0.00098 0.00079 0.00036 0.00083 134 4YY -0.00001 -0.00023 -0.00021 -0.00006 -0.00018 135 4ZZ -0.00003 -0.00039 -0.00022 -0.00018 -0.00020 136 4XY 0.00003 0.00001 0.00007 0.00006 0.00006 137 4XZ 0.00003 0.00013 0.00027 0.00005 0.00002 138 4YZ 0.00001 0.00002 0.00012 0.00001 0.00000 139 18 H 1S -0.00012 -0.00131 -0.00214 0.00004 -0.00123 140 2S -0.00254 -0.00750 -0.00688 0.00016 -0.00699 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 -0.00001 0.00000 -0.00001 0.00000 143 2PX 0.00000 -0.00001 0.00001 -0.00003 0.00000 144 2PY 0.00000 -0.00001 0.00002 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00013 -0.00002 -0.00017 -0.00002 147 3PX 0.00000 -0.00011 0.00022 -0.00036 0.00000 148 3PY 0.00000 -0.00016 0.00020 -0.00007 0.00000 149 3PZ 0.00000 0.00000 0.00000 -0.00003 0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 0.00011 0.00014 0.00003 -0.00004 158 2PX 0.00000 -0.00084 -0.00150 -0.00011 -0.00019 159 2PY 0.00000 -0.00004 0.00006 0.00001 -0.00001 160 2PZ 0.00000 -0.00015 -0.00012 -0.00002 0.00025 161 3S 0.00002 -0.00028 0.00054 0.00010 -0.00022 162 3PX -0.00008 -0.00632 -0.00805 -0.00061 -0.00102 163 3PY 0.00000 -0.00022 0.00025 0.00006 -0.00003 164 3PZ 0.00012 -0.00099 -0.00082 -0.00010 0.00213 165 4XX 0.00000 -0.00001 0.00022 0.00000 0.00002 166 4YY 0.00000 0.00004 -0.00006 0.00000 0.00001 167 4ZZ 0.00000 0.00001 -0.00009 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00001 -0.00002 0.00000 169 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00001 0.00000 0.00000 173 2PX 0.00000 0.00004 -0.00001 0.00001 -0.00001 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00011 0.00019 0.00002 -0.00002 177 3PX 0.00000 -0.00002 -0.00018 -0.00013 -0.00003 178 3PY 0.00000 -0.00005 0.00006 0.00000 -0.00001 179 3PZ 0.00001 0.00003 0.00005 0.00002 0.00016 180 4XX 0.00000 -0.00001 -0.00001 -0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00005 -0.00005 -0.00003 0.00000 188 23 H 1S 0.00000 0.00001 0.00001 0.00001 -0.00001 189 2S -0.00001 0.00050 0.00026 0.00032 -0.00023 61 62 63 64 65 61 4XX 0.00146 62 4YY -0.00016 0.00182 63 4ZZ 0.00002 -0.00025 0.00145 64 4XY 0.00000 0.00000 0.00000 0.00050 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00080 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00104 0.00734 -0.00119 0.00026 0.00001 68 2S -0.00178 0.00672 -0.00309 0.00006 0.00000 69 9 C 1S 0.00000 0.00001 -0.00009 -0.00001 -0.00002 70 2S -0.00028 -0.00028 0.00176 0.00008 0.00027 71 2PX 0.00003 -0.00003 0.00055 0.00002 0.00060 72 2PY -0.00003 -0.00005 0.00117 0.00000 0.00016 73 2PZ -0.00059 -0.00044 -0.00019 0.00024 0.00038 74 3S -0.00076 -0.00145 0.00323 0.00007 0.00014 75 3PX -0.00018 -0.00005 0.00035 0.00002 0.00049 76 3PY -0.00016 -0.00035 0.00083 0.00000 0.00003 77 3PZ -0.00045 -0.00084 0.00000 0.00007 0.00004 78 4XX 0.00002 -0.00001 0.00001 0.00000 -0.00001 79 4YY -0.00001 0.00002 -0.00009 0.00000 -0.00001 80 4ZZ -0.00004 -0.00006 0.00007 0.00000 -0.00002 81 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 82 4XZ 0.00000 -0.00001 -0.00007 0.00001 -0.00006 83 4YZ -0.00002 0.00000 -0.00007 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00013 0.00000 0.00002 85 2S -0.00002 -0.00013 0.00070 0.00000 0.00009 86 11 H 1S 0.00003 0.00000 0.00001 0.00000 0.00008 87 2S 0.00053 -0.00014 -0.00022 -0.00001 0.00032 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00001 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00006 -0.00002 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S -0.00004 0.00027 -0.00011 0.00000 0.00000 94 3PX 0.00000 0.00002 0.00000 0.00001 -0.00001 95 3PY -0.00004 0.00059 -0.00030 0.00000 -0.00001 96 3PZ -0.00005 -0.00001 0.00002 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00002 0.00001 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00001 -0.00002 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00006 0.00004 -0.00005 0.00000 0.00001 113 3PX 0.00010 -0.00002 -0.00005 0.00002 0.00002 114 3PY -0.00010 0.00006 0.00001 0.00000 -0.00001 115 3PZ 0.00011 -0.00001 -0.00003 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00007 -0.00001 0.00000 0.00001 0.00007 126 2PX 0.00014 -0.00003 0.00002 0.00007 0.00022 127 2PY 0.00006 0.00000 0.00001 0.00000 0.00005 128 2PZ 0.00010 0.00000 -0.00001 0.00004 0.00004 129 3S 0.00053 -0.00030 0.00002 0.00006 0.00020 130 3PX 0.00058 -0.00029 0.00012 0.00007 0.00030 131 3PY 0.00019 0.00001 -0.00006 0.00001 0.00010 132 3PZ 0.00044 -0.00011 -0.00003 0.00009 0.00003 133 4XX -0.00001 0.00000 0.00000 0.00000 -0.00001 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 137 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 138 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00001 0.00000 0.00000 0.00000 0.00001 140 2S 0.00007 -0.00005 0.00007 0.00000 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00011 0.00000 -0.00001 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 4YZ 0.00069 67 8 H 1S 0.00009 0.21712 68 2S 0.00001 0.11481 0.16355 69 9 C 1S -0.00004 0.00000 0.00017 2.05103 70 2S 0.00074 -0.00013 -0.00253 -0.01171 0.30657 71 2PX 0.00018 -0.00001 -0.00015 0.00000 0.00000 72 2PY 0.00007 -0.00030 -0.00466 0.00000 0.00000 73 2PZ 0.00131 -0.00026 -0.00433 0.00000 0.00000 74 3S 0.00038 -0.00394 -0.01577 -0.03443 0.22839 75 3PX 0.00004 -0.00009 -0.00031 0.00000 0.00000 76 3PY 0.00016 -0.00091 -0.00550 0.00000 0.00000 77 3PZ 0.00019 -0.00268 -0.00905 0.00000 0.00000 78 4XX -0.00003 0.00000 -0.00003 -0.00141 -0.00007 79 4YY 0.00000 0.00005 0.00069 -0.00122 -0.00379 80 4ZZ -0.00002 -0.00001 -0.00039 -0.00128 -0.00251 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 83 4YZ 0.00000 0.00005 0.00010 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 -0.00016 -0.00156 0.02615 85 2S -0.00003 -0.00019 -0.00046 -0.00064 0.00984 86 11 H 1S 0.00000 -0.00001 -0.00029 -0.00157 0.02644 87 2S -0.00002 -0.00045 0.00004 -0.00041 0.00867 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 89 2S 0.00001 0.00000 0.00007 -0.00015 0.00383 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00005 0.00000 0.00031 -0.00116 0.02430 92 2PZ 0.00000 0.00000 0.00005 0.00000 0.00000 93 3S 0.00007 0.00008 0.00134 0.00033 0.00226 94 3PX 0.00000 0.00000 0.00003 0.00000 0.00000 95 3PY 0.00018 0.00026 0.00314 -0.00144 0.02030 96 3PZ 0.00001 0.00000 0.00018 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 -0.00025 98 4YY 0.00000 0.00000 0.00000 -0.00012 0.00266 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00024 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00012 104 2S 0.00000 0.00000 -0.00017 0.00011 -0.00187 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00012 106 2S -0.00001 0.00000 -0.00012 0.00013 -0.00205 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00002 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00007 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 112 3S 0.00001 0.00003 0.00069 0.00000 -0.00024 113 3PX 0.00000 -0.00001 0.00007 0.00001 -0.00010 114 3PY 0.00001 0.00006 0.00084 0.00000 -0.00005 115 3PZ 0.00000 0.00000 0.00009 0.00001 -0.00043 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00005 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00002 0.00000 0.00000 125 2S 0.00001 -0.00001 -0.00029 0.00000 0.00000 126 2PX 0.00003 -0.00003 -0.00105 0.00000 -0.00001 127 2PY 0.00000 -0.00003 -0.00093 0.00000 0.00000 128 2PZ 0.00001 0.00000 -0.00033 0.00000 -0.00003 129 3S 0.00000 -0.00101 -0.00560 0.00001 0.00000 130 3PX 0.00007 -0.00090 -0.00369 0.00002 -0.00065 131 3PY 0.00000 0.00043 0.00128 0.00000 -0.00002 132 3PZ 0.00000 -0.00029 -0.00189 0.00005 -0.00059 133 4XX 0.00000 0.00000 -0.00005 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00010 0.00000 0.00000 135 4ZZ 0.00000 0.00000 -0.00003 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 137 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00002 0.00000 0.00000 139 18 H 1S 0.00000 -0.00001 -0.00034 0.00000 0.00000 140 2S 0.00000 -0.00032 -0.00070 0.00000 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 -0.00001 0.00000 0.00001 148 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00007 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00002 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00006 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00071 0.00000 -0.00003 162 3PX 0.00000 -0.00003 0.00028 0.00000 -0.00013 163 3PY 0.00000 -0.00001 0.00031 0.00000 -0.00001 164 3PZ 0.00000 0.00000 0.00003 0.00000 -0.00007 165 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 166 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 0.00000 -0.00002 177 3PX 0.00000 0.00000 -0.00003 0.00000 0.00004 178 3PY 0.00000 0.00000 -0.00003 0.00000 0.00001 179 3PZ 0.00000 0.00000 -0.00001 0.00000 -0.00002 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00001 0.00000 0.00001 71 72 73 74 75 71 2PX 0.40828 72 2PY 0.00000 0.38422 73 2PZ 0.00000 0.00000 0.38878 74 3S 0.00000 0.00000 0.00000 0.29974 75 3PX 0.10760 0.00000 0.00000 0.00000 0.08951 76 3PY 0.00000 0.09800 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.10203 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00006 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00338 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00044 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.04097 0.00977 0.04368 0.03303 0.02641 85 2S 0.02803 0.00608 0.02924 0.01197 0.02818 86 11 H 1S 0.07770 0.01132 0.00667 0.03108 0.05249 87 2S 0.05035 0.00706 0.00415 -0.00201 0.05010 88 12 C 1S 0.00000 -0.00116 0.00000 0.00033 0.00000 89 2S 0.00000 0.02430 0.00000 0.00226 0.00000 90 2PX 0.00007 0.00000 0.00000 0.00000 -0.00112 91 2PY 0.00000 0.08020 0.00000 0.02840 0.00000 92 2PZ 0.00000 0.00000 0.00056 0.00000 0.00000 93 3S 0.00000 0.02839 0.00000 -0.01460 0.00000 94 3PX -0.00111 0.00000 0.00000 0.00000 -0.00333 95 3PY 0.00000 0.03336 0.00000 0.01972 0.00000 96 3PZ 0.00000 0.00000 -0.00108 0.00000 0.00000 97 4XX 0.00000 -0.00062 0.00000 -0.00090 0.00000 98 4YY 0.00000 0.00261 0.00000 0.00381 0.00000 99 4ZZ 0.00000 -0.00071 0.00000 -0.00122 0.00000 100 4XY 0.00123 0.00000 0.00000 0.00000 0.00079 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00112 0.00000 0.00000 103 13 H 1S -0.00013 -0.00034 -0.00001 -0.00153 -0.00125 104 2S -0.00208 -0.00486 -0.00002 -0.00223 -0.00433 105 14 H 1S -0.00009 -0.00033 -0.00008 -0.00207 -0.00059 106 2S -0.00128 -0.00490 -0.00086 -0.00710 -0.00260 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00010 0.00002 109 2PX 0.00000 0.00000 -0.00001 -0.00026 0.00006 110 2PY 0.00000 0.00000 0.00000 -0.00009 -0.00003 111 2PZ 0.00000 0.00000 -0.00001 -0.00039 0.00010 112 3S 0.00004 -0.00004 -0.00059 -0.00268 0.00037 113 3PX 0.00005 -0.00015 -0.00013 -0.00137 0.00004 114 3PY -0.00010 0.00003 -0.00024 -0.00050 -0.00040 115 3PZ 0.00012 -0.00004 -0.00072 -0.00322 0.00075 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 0.00017 -0.00001 124 17 C 1S 0.00000 0.00000 0.00000 0.00001 0.00002 125 2S -0.00001 0.00000 -0.00002 -0.00022 -0.00023 126 2PX -0.00001 0.00000 -0.00004 -0.00016 -0.00014 127 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 128 2PZ -0.00003 0.00000 -0.00008 -0.00018 0.00026 129 3S -0.00012 -0.00001 0.00057 0.00093 -0.00059 130 3PX -0.00024 0.00000 -0.00174 -0.00096 -0.00009 131 3PY -0.00001 0.00000 -0.00007 -0.00009 -0.00003 132 3PZ -0.00055 0.00000 -0.00025 0.00053 -0.00035 133 4XX 0.00000 0.00000 0.00000 0.00005 0.00004 134 4YY 0.00000 0.00000 0.00000 -0.00003 -0.00001 135 4ZZ 0.00000 0.00000 0.00001 0.00003 -0.00003 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00001 0.00003 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00003 140 2S 0.00001 0.00000 0.00010 0.00009 -0.00016 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00001 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00003 -0.00001 144 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 145 2PZ 0.00000 0.00000 0.00000 0.00001 0.00003 146 3S 0.00000 0.00000 0.00001 0.00017 -0.00008 147 3PX -0.00001 0.00000 0.00002 0.00049 -0.00011 148 3PY -0.00001 0.00000 0.00000 0.00000 -0.00032 149 3PZ 0.00000 0.00000 0.00000 0.00020 0.00024 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00001 0.00001 157 2S 0.00000 0.00000 0.00000 -0.00019 -0.00016 158 2PX 0.00000 0.00000 0.00000 -0.00012 -0.00028 159 2PY 0.00000 0.00000 0.00000 0.00003 0.00007 160 2PZ 0.00000 0.00000 0.00000 -0.00012 -0.00055 161 3S -0.00017 -0.00001 -0.00009 -0.00145 -0.00144 162 3PX -0.00023 -0.00002 -0.00011 -0.00079 -0.00142 163 3PY 0.00000 -0.00001 -0.00002 0.00020 0.00026 164 3PZ -0.00025 -0.00002 0.00005 -0.00082 -0.00271 165 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00003 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00002 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00001 0.00003 170 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00002 -0.00007 173 2PX 0.00000 0.00000 0.00000 0.00000 -0.00005 174 2PY 0.00000 0.00000 0.00000 0.00001 -0.00001 175 2PZ 0.00000 0.00000 0.00000 -0.00005 -0.00011 176 3S -0.00010 0.00000 0.00001 -0.00008 -0.00044 177 3PX 0.00020 0.00003 0.00001 0.00038 0.00056 178 3PY 0.00003 0.00000 0.00000 0.00007 -0.00002 179 3PZ -0.00019 0.00001 0.00000 -0.00021 -0.00077 180 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00002 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 -0.00010 -0.00009 189 2S 0.00024 -0.00002 0.00000 -0.00053 0.00120 76 77 78 79 80 76 3PY 0.08397 77 3PZ 0.00000 0.09196 78 4XX 0.00000 0.00000 0.00118 79 4YY 0.00000 0.00000 -0.00012 0.00124 80 4ZZ 0.00000 0.00000 -0.00005 -0.00011 0.00106 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00743 0.02969 0.00061 -0.00083 0.00094 85 2S 0.00705 0.02946 0.00055 -0.00148 0.00167 86 11 H 1S 0.00723 0.00554 0.00440 -0.00079 -0.00088 87 2S 0.00596 0.00378 0.00447 -0.00113 -0.00223 88 12 C 1S -0.00144 0.00000 0.00000 -0.00012 0.00000 89 2S 0.02030 0.00000 -0.00025 0.00266 -0.00024 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.03336 0.00000 -0.00062 0.00261 -0.00071 92 2PZ 0.00000 -0.00108 0.00000 0.00000 0.00000 93 3S 0.01972 0.00000 -0.00090 0.00381 -0.00122 94 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 3PY 0.01347 0.00000 -0.00118 0.00187 -0.00171 96 3PZ 0.00000 -0.00383 0.00000 0.00000 0.00000 97 4XX -0.00118 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00187 0.00000 -0.00001 -0.00003 -0.00002 99 4ZZ -0.00171 0.00000 0.00000 -0.00002 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00074 0.00000 0.00000 0.00000 103 13 H 1S -0.00284 -0.00020 0.00000 0.00002 0.00000 104 2S -0.00892 -0.00023 -0.00005 -0.00016 0.00021 105 14 H 1S -0.00186 -0.00082 0.00000 0.00003 0.00000 106 2S -0.00705 -0.00178 0.00013 -0.00005 0.00004 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00003 -0.00006 0.00000 0.00000 0.00000 109 2PX -0.00009 -0.00035 0.00000 0.00000 0.00000 110 2PY 0.00001 -0.00002 0.00000 0.00000 0.00000 111 2PZ -0.00020 -0.00037 0.00000 0.00000 0.00000 112 3S -0.00024 -0.00263 0.00001 0.00000 -0.00001 113 3PX -0.00058 -0.00078 0.00001 -0.00001 0.00000 114 3PY 0.00001 -0.00031 0.00000 0.00001 -0.00001 115 3PZ -0.00050 -0.00238 0.00003 -0.00001 0.00000 116 4XX -0.00001 0.00001 0.00000 0.00000 0.00000 117 4YY 0.00001 -0.00002 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00010 0.00002 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00003 0.00000 0.00000 0.00000 125 2S 0.00000 -0.00061 0.00000 0.00000 0.00000 126 2PX 0.00001 -0.00031 0.00000 0.00000 0.00001 127 2PY 0.00008 0.00001 0.00000 0.00000 0.00000 128 2PZ 0.00002 -0.00124 0.00000 0.00000 0.00001 129 3S 0.00000 0.00071 0.00000 -0.00003 0.00008 130 3PX 0.00002 -0.00303 -0.00002 -0.00004 0.00019 131 3PY 0.00020 -0.00012 0.00000 0.00000 0.00000 132 3PZ 0.00004 -0.00107 -0.00009 -0.00008 0.00027 133 4XX 0.00000 -0.00019 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00027 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 138 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00001 0.00007 0.00000 0.00000 0.00000 140 2S 0.00004 0.00123 0.00000 0.00000 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00001 0.00001 0.00000 0.00000 0.00000 143 2PX -0.00002 0.00001 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 145 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 146 3S 0.00004 0.00024 0.00000 0.00000 0.00000 147 3PX -0.00014 0.00021 0.00000 0.00000 0.00000 148 3PY -0.00004 0.00018 0.00000 0.00000 0.00000 149 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00002 -0.00001 0.00000 0.00000 0.00000 158 2PX -0.00007 0.00048 0.00000 0.00000 0.00000 159 2PY -0.00003 -0.00003 0.00000 0.00000 0.00000 160 2PZ -0.00009 0.00040 0.00000 0.00000 0.00000 161 3S -0.00010 -0.00027 0.00000 0.00000 0.00000 162 3PX -0.00039 0.00262 0.00002 0.00000 -0.00003 163 3PY -0.00020 -0.00021 0.00000 0.00000 0.00000 164 3PZ -0.00043 0.00166 0.00001 0.00000 -0.00001 165 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 166 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00000 0.00000 0.00000 0.00000 173 2PX -0.00001 -0.00001 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 176 3S 0.00003 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00013 0.00013 0.00001 0.00000 0.00000 178 3PY -0.00001 0.00004 0.00000 0.00000 0.00000 179 3PZ 0.00011 -0.00008 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00002 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00004 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00019 0.00001 0.00001 0.00000 0.00001 81 82 83 84 85 81 4XY 0.00092 82 4XZ 0.00000 0.00128 83 4YZ 0.00000 0.00000 0.00090 84 10 H 1S 0.00085 0.00326 0.00096 0.21401 85 2S 0.00021 0.00078 0.00021 0.11460 0.16112 86 11 H 1S 0.00173 0.00104 0.00019 -0.00048 -0.00779 87 2S 0.00039 0.00030 0.00003 -0.00801 -0.02449 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00013 89 2S 0.00000 0.00000 0.00000 -0.00012 -0.00205 90 2PX 0.00123 0.00000 0.00000 -0.00009 -0.00128 91 2PY 0.00000 0.00000 0.00000 -0.00033 -0.00489 92 2PZ 0.00000 0.00000 0.00112 -0.00008 -0.00086 93 3S 0.00000 0.00000 0.00000 -0.00207 -0.00710 94 3PX 0.00079 0.00000 0.00000 -0.00059 -0.00260 95 3PY 0.00000 0.00000 0.00000 -0.00186 -0.00705 96 3PZ 0.00000 0.00000 0.00074 -0.00082 -0.00178 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00013 98 4YY 0.00000 0.00000 0.00000 0.00003 -0.00005 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00004 100 4XY -0.00017 0.00000 0.00000 0.00003 0.00017 101 4XZ 0.00000 0.00000 0.00000 -0.00001 -0.00003 102 4YZ 0.00000 0.00000 -0.00012 0.00004 0.00016 103 13 H 1S 0.00006 0.00000 0.00000 0.00000 0.00040 104 2S 0.00030 -0.00001 0.00002 0.00043 0.00383 105 14 H 1S 0.00003 -0.00001 0.00004 -0.00006 -0.00211 106 2S 0.00017 -0.00003 0.00016 -0.00211 -0.00891 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 112 3S 0.00000 0.00001 0.00001 0.00000 0.00015 113 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 114 3PY 0.00000 0.00001 0.00000 0.00000 0.00004 115 3PZ 0.00000 0.00001 0.00002 0.00000 0.00017 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00001 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00001 126 2PX 0.00000 0.00001 0.00000 0.00000 0.00006 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00002 0.00000 0.00000 0.00011 129 3S 0.00000 0.00002 0.00000 0.00000 0.00009 130 3PX 0.00000 0.00007 0.00000 0.00005 0.00112 131 3PY 0.00000 0.00000 -0.00002 0.00000 0.00010 132 3PZ 0.00000 0.00017 0.00000 0.00004 0.00108 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00001 0.00000 0.00000 -0.00010 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 147 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00001 0.00000 0.00000 0.00006 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00002 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00002 177 3PX 0.00000 0.00000 0.00000 0.00000 -0.00004 178 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00004 86 87 88 89 90 86 11 H 1S 0.21431 87 2S 0.11234 0.16972 88 12 C 1S 0.00000 0.00011 2.05103 89 2S -0.00012 -0.00187 -0.01171 0.30657 90 2PX -0.00013 -0.00208 0.00000 0.00000 0.40828 91 2PY -0.00034 -0.00486 0.00000 0.00000 0.00000 92 2PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 93 3S -0.00153 -0.00224 -0.03443 0.22838 0.00000 94 3PX -0.00125 -0.00433 0.00000 0.00000 0.10761 95 3PY -0.00284 -0.00892 0.00000 0.00000 0.00000 96 3PZ -0.00020 -0.00023 0.00000 0.00000 0.00000 97 4XX 0.00000 -0.00005 -0.00141 -0.00007 0.00000 98 4YY 0.00002 -0.00016 -0.00122 -0.00379 0.00000 99 4ZZ 0.00000 0.00021 -0.00128 -0.00251 0.00000 100 4XY 0.00006 0.00030 0.00000 0.00000 0.00000 101 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 103 13 H 1S -0.00004 -0.00191 -0.00157 0.02643 0.07771 104 2S -0.00191 -0.01017 -0.00041 0.00867 0.05035 105 14 H 1S 0.00000 0.00043 -0.00156 0.02615 0.04096 106 2S 0.00040 0.00383 -0.00064 0.00984 0.02802 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00003 0.00000 0.00000 -0.00001 109 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00001 110 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00003 0.00000 -0.00003 -0.00003 112 3S 0.00002 0.00058 0.00001 0.00000 -0.00012 113 3PX 0.00001 0.00010 0.00002 -0.00065 -0.00024 114 3PY -0.00004 0.00011 0.00000 -0.00002 -0.00001 115 3PZ 0.00006 0.00047 0.00005 -0.00059 -0.00055 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00007 0.00000 0.00003 0.00001 124 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 125 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 126 2PX 0.00000 -0.00008 0.00000 0.00000 0.00000 127 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 128 2PZ -0.00001 -0.00157 0.00000 0.00000 0.00000 129 3S -0.00014 -0.00181 0.00000 -0.00024 0.00004 130 3PX -0.00012 -0.00059 0.00001 -0.00010 0.00005 131 3PY -0.00005 -0.00015 0.00000 -0.00005 -0.00010 132 3PZ -0.00093 -0.00686 0.00001 -0.00043 0.00012 133 4XX 0.00000 -0.00007 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00003 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00009 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00004 0.00000 0.00000 0.00000 140 2S 0.00002 0.00063 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00001 0.00000 0.00000 0.00000 143 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 146 3S 0.00000 0.00013 0.00000 -0.00003 -0.00017 147 3PX 0.00000 -0.00016 0.00000 -0.00013 -0.00023 148 3PY 0.00000 0.00016 0.00000 -0.00001 0.00000 149 3PZ 0.00000 -0.00016 0.00000 -0.00007 -0.00025 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 157 2S 0.00000 0.00017 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00067 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00178 0.00000 0.00000 0.00000 161 3S -0.00017 0.00164 0.00000 0.00000 0.00000 162 3PX 0.00003 0.00389 0.00000 0.00001 -0.00001 163 3PY 0.00000 -0.00001 0.00000 0.00000 -0.00001 164 3PZ -0.00011 0.00854 0.00000 0.00001 0.00000 165 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 166 4YY 0.00000 -0.00011 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00007 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00004 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00021 0.00000 0.00000 0.00000 173 2PX 0.00000 -0.00025 0.00000 0.00000 0.00000 174 2PY 0.00000 -0.00010 0.00000 0.00000 0.00000 175 2PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 176 3S -0.00016 -0.00117 0.00000 -0.00002 -0.00010 177 3PX 0.00023 0.00050 0.00000 0.00004 0.00020 178 3PY 0.00009 0.00049 0.00000 0.00001 0.00003 179 3PZ -0.00031 0.00006 0.00000 -0.00002 -0.00019 180 4XX 0.00000 0.00005 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00003 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 187 2S 0.00001 0.00030 0.00000 0.00000 0.00000 188 23 H 1S -0.00001 -0.00041 0.00000 0.00000 0.00000 189 2S 0.00041 -0.00163 0.00000 0.00001 0.00024 91 92 93 94 95 91 2PY 0.38422 92 2PZ 0.00000 0.38878 93 3S 0.00000 0.00000 0.29973 94 3PX 0.00000 0.00000 0.00000 0.08952 95 3PY 0.09800 0.00000 0.00000 0.00000 0.08397 96 3PZ 0.00000 0.10203 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00006 0.00000 0.00000 98 4YY 0.00000 0.00000 -0.00338 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00044 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.01133 0.00665 0.03108 0.05250 0.00724 104 2S 0.00706 0.00414 -0.00202 0.05010 0.00596 105 14 H 1S 0.00978 0.04368 0.03303 0.02640 0.00744 106 2S 0.00609 0.02924 0.01197 0.02817 0.00705 107 15 C 1S 0.00000 0.00000 0.00001 0.00002 0.00000 108 2S 0.00000 -0.00002 -0.00022 -0.00023 0.00000 109 2PX 0.00000 -0.00004 -0.00016 -0.00014 0.00001 110 2PY 0.00000 0.00000 0.00000 -0.00001 0.00008 111 2PZ 0.00000 -0.00008 -0.00018 0.00026 0.00002 112 3S -0.00001 0.00057 0.00094 -0.00059 0.00000 113 3PX 0.00000 -0.00174 -0.00095 -0.00009 0.00002 114 3PY 0.00000 -0.00007 -0.00009 -0.00003 0.00020 115 3PZ 0.00000 -0.00025 0.00054 -0.00035 0.00004 116 4XX 0.00000 0.00000 0.00005 0.00004 0.00000 117 4YY 0.00000 0.00000 -0.00003 -0.00001 0.00000 118 4ZZ 0.00000 0.00001 0.00003 -0.00003 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00001 0.00003 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 122 16 H 1S 0.00000 0.00000 -0.00001 -0.00003 0.00001 123 2S 0.00000 0.00010 0.00009 -0.00016 0.00004 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00010 0.00002 0.00003 126 2PX 0.00000 -0.00001 -0.00026 0.00006 -0.00009 127 2PY 0.00000 0.00000 -0.00009 -0.00003 0.00001 128 2PZ 0.00000 -0.00001 -0.00039 0.00010 -0.00020 129 3S -0.00004 -0.00059 -0.00268 0.00037 -0.00024 130 3PX -0.00015 -0.00013 -0.00137 0.00004 -0.00058 131 3PY 0.00003 -0.00024 -0.00050 -0.00040 0.00001 132 3PZ -0.00004 -0.00072 -0.00322 0.00075 -0.00050 133 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 135 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00001 0.00000 0.00017 -0.00001 0.00010 141 19 O 1S 0.00000 0.00000 0.00001 0.00001 0.00000 142 2S 0.00000 0.00000 -0.00019 -0.00016 -0.00001 143 2PX 0.00000 0.00000 -0.00012 -0.00028 -0.00007 144 2PY 0.00000 0.00000 0.00003 0.00007 -0.00003 145 2PZ 0.00000 0.00000 -0.00012 -0.00055 -0.00009 146 3S -0.00001 -0.00009 -0.00145 -0.00144 -0.00010 147 3PX -0.00002 -0.00011 -0.00079 -0.00143 -0.00039 148 3PY -0.00001 -0.00002 0.00020 0.00026 -0.00020 149 3PZ -0.00002 0.00005 -0.00082 -0.00271 -0.00043 150 4XX 0.00000 0.00000 -0.00001 -0.00003 -0.00001 151 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00003 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 154 4XZ 0.00000 0.00000 0.00001 0.00003 0.00000 155 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00001 0.00000 0.00001 158 2PX 0.00000 0.00000 0.00003 -0.00001 -0.00002 159 2PY 0.00000 0.00000 0.00000 -0.00003 0.00000 160 2PZ 0.00000 0.00000 0.00001 0.00003 -0.00001 161 3S 0.00000 0.00001 0.00017 -0.00008 0.00004 162 3PX 0.00000 0.00002 0.00049 -0.00011 -0.00014 163 3PY 0.00000 0.00000 0.00000 -0.00032 -0.00004 164 3PZ 0.00000 0.00000 0.00020 0.00024 -0.00007 165 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00002 -0.00007 0.00001 173 2PX 0.00000 0.00000 0.00000 -0.00005 -0.00001 174 2PY 0.00000 0.00000 0.00001 -0.00001 0.00000 175 2PZ 0.00000 0.00000 -0.00005 -0.00011 0.00001 176 3S 0.00000 0.00001 -0.00008 -0.00044 0.00003 177 3PX 0.00003 0.00001 0.00038 0.00056 0.00013 178 3PY 0.00000 0.00000 0.00007 -0.00002 -0.00001 179 3PZ 0.00001 0.00000 -0.00021 -0.00077 0.00011 180 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00002 0.00001 0.00001 188 23 H 1S 0.00000 0.00000 -0.00010 -0.00009 0.00000 189 2S -0.00002 0.00000 -0.00053 0.00120 -0.00019 96 97 98 99 100 96 3PZ 0.09196 97 4XX 0.00000 0.00118 98 4YY 0.00000 -0.00012 0.00124 99 4ZZ 0.00000 -0.00005 -0.00011 0.00106 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00092 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00553 0.00440 -0.00079 -0.00088 0.00173 104 2S 0.00377 0.00447 -0.00113 -0.00223 0.00039 105 14 H 1S 0.02970 0.00061 -0.00083 0.00094 0.00085 106 2S 0.02946 0.00055 -0.00148 0.00167 0.00021 107 15 C 1S 0.00003 0.00000 0.00000 0.00000 0.00000 108 2S -0.00061 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00031 0.00000 0.00000 0.00001 0.00000 110 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00124 0.00000 0.00000 0.00001 0.00000 112 3S 0.00071 0.00000 -0.00003 0.00008 0.00000 113 3PX -0.00303 -0.00002 -0.00004 0.00019 0.00000 114 3PY -0.00012 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00107 -0.00009 -0.00008 0.00027 0.00000 116 4XX -0.00019 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00027 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000 123 2S 0.00123 0.00000 0.00000 -0.00001 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S -0.00006 0.00000 0.00000 0.00000 0.00000 126 2PX -0.00035 0.00000 0.00000 0.00000 0.00000 127 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 128 2PZ -0.00037 0.00000 0.00000 0.00000 0.00000 129 3S -0.00262 0.00001 0.00000 -0.00001 0.00000 130 3PX -0.00078 0.00001 -0.00001 0.00000 0.00000 131 3PY -0.00031 0.00000 0.00001 -0.00001 0.00000 132 3PZ -0.00238 0.00003 -0.00001 0.00000 0.00000 133 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 134 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 138 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00002 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S -0.00001 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00048 0.00000 0.00000 0.00000 0.00000 144 2PY -0.00003 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00040 0.00000 0.00000 0.00000 0.00000 146 3S -0.00026 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00262 0.00002 0.00000 -0.00003 0.00000 148 3PY -0.00021 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00166 0.00001 0.00000 -0.00001 0.00000 150 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00024 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00021 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00018 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00013 0.00001 0.00000 0.00000 0.00000 178 3PY 0.00004 0.00000 0.00000 0.00000 0.00000 179 3PZ -0.00008 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00004 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00001 0.00000 0.00001 0.00000 101 102 103 104 105 101 4XZ 0.00128 102 4YZ 0.00000 0.00090 103 13 H 1S 0.00104 0.00019 0.21431 104 2S 0.00030 0.00003 0.11234 0.16973 105 14 H 1S 0.00326 0.00096 -0.00048 -0.00801 0.21401 106 2S 0.00078 0.00021 -0.00779 -0.02450 0.11460 107 15 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00016 0.00000 109 2PX 0.00001 0.00000 0.00000 -0.00008 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00003 0.00000 111 2PZ 0.00002 0.00000 -0.00001 -0.00157 0.00000 112 3S 0.00002 0.00000 -0.00014 -0.00181 0.00000 113 3PX 0.00007 0.00000 -0.00012 -0.00059 0.00005 114 3PY 0.00000 -0.00002 -0.00005 -0.00015 0.00000 115 3PZ 0.00017 0.00000 -0.00093 -0.00687 0.00004 116 4XX 0.00000 0.00000 0.00000 -0.00007 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00003 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00009 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 123 2S -0.00001 0.00000 0.00002 0.00063 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00003 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00004 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00003 0.00000 129 3S 0.00001 0.00001 0.00002 0.00058 0.00000 130 3PX 0.00000 -0.00001 0.00001 0.00010 0.00000 131 3PY 0.00001 0.00000 -0.00004 0.00011 0.00000 132 3PZ 0.00001 0.00002 0.00006 0.00047 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 -0.00007 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 -0.00002 0.00000 142 2S 0.00000 0.00000 0.00000 0.00017 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00067 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00178 0.00000 146 3S 0.00001 0.00000 -0.00017 0.00164 0.00000 147 3PX 0.00000 0.00000 0.00003 0.00389 0.00000 148 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 149 3PZ 0.00000 0.00000 -0.00011 0.00854 0.00000 150 4XX 0.00000 0.00000 0.00000 -0.00003 0.00000 151 4YY 0.00000 0.00000 0.00000 -0.00011 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00007 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00004 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 161 3S 0.00000 0.00000 0.00000 0.00013 0.00000 162 3PX 0.00000 0.00000 0.00000 -0.00016 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00016 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00016 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00021 0.00000 173 2PX 0.00000 0.00000 0.00000 -0.00025 0.00000 174 2PY 0.00000 0.00000 0.00000 -0.00010 0.00000 175 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 176 3S 0.00000 0.00000 -0.00016 -0.00118 0.00000 177 3PX 0.00000 0.00000 0.00023 0.00051 0.00000 178 3PY 0.00000 0.00000 0.00009 0.00049 0.00000 179 3PZ 0.00000 0.00000 -0.00031 0.00006 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00005 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 182 4ZZ 0.00000 0.00000 0.00000 -0.00005 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00003 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 187 2S 0.00000 0.00000 0.00001 0.00030 0.00000 188 23 H 1S 0.00000 0.00000 -0.00001 -0.00041 0.00000 189 2S 0.00000 0.00000 0.00041 -0.00163 0.00000 106 107 108 109 110 106 2S 0.16113 107 15 C 1S 0.00000 2.05308 108 2S 0.00001 -0.01377 0.33270 109 2PX 0.00006 0.00000 0.00000 0.34243 110 2PY 0.00000 0.00000 0.00000 0.00000 0.42494 111 2PZ 0.00011 0.00000 0.00000 0.00000 0.00000 112 3S 0.00009 -0.03365 0.22866 0.00000 0.00000 113 3PX 0.00112 0.00000 0.00000 0.09263 0.00000 114 3PY 0.00010 0.00000 0.00000 0.00000 0.06603 115 3PZ 0.00108 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00093 -0.00908 0.00000 0.00000 117 4YY 0.00000 -0.00141 0.00065 0.00000 0.00000 118 4ZZ 0.00000 -0.00117 -0.00410 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 -0.00241 0.03866 0.00590 0.04490 123 2S -0.00010 -0.00196 0.02213 0.00208 0.02490 124 17 C 1S 0.00000 0.00000 -0.00063 0.00000 -0.00272 125 2S 0.00000 -0.00063 0.01386 0.00000 0.04191 126 2PX 0.00001 0.00000 0.00000 0.01372 0.00000 127 2PY 0.00000 -0.00272 0.04191 0.00000 0.09851 128 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 129 3S 0.00015 0.00026 0.01029 0.00000 0.03374 130 3PX 0.00000 0.00000 0.00000 0.01740 0.00000 131 3PY 0.00004 0.00028 0.00862 0.00000 0.01848 132 3PZ 0.00017 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 -0.00062 0.00000 -0.00158 134 4YY 0.00000 -0.00026 0.00347 0.00000 0.00307 135 4ZZ 0.00000 0.00000 -0.00060 0.00000 -0.00128 136 4XY 0.00000 0.00000 0.00000 0.00188 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 -0.00015 0.00000 -0.00039 140 2S 0.00001 0.00021 -0.00327 -0.00019 -0.00528 141 19 O 1S 0.00000 0.00000 -0.00005 -0.00042 -0.00005 142 2S 0.00000 -0.00002 0.00084 0.00766 0.00143 143 2PX 0.00000 -0.00020 0.01074 0.01587 0.00598 144 2PY 0.00000 -0.00004 0.00219 0.00589 -0.00059 145 2PZ 0.00000 -0.00009 0.00440 0.01807 0.00283 146 3S 0.00006 0.00082 -0.00807 0.01396 -0.00376 147 3PX 0.00002 -0.00191 0.02092 0.01157 0.00724 148 3PY 0.00000 -0.00069 0.00641 0.00954 -0.00353 149 3PZ 0.00001 -0.00088 0.00728 0.02018 0.00356 150 4XX 0.00000 -0.00008 0.00110 -0.00095 0.00092 151 4YY 0.00000 -0.00001 0.00015 0.00052 0.00000 152 4ZZ 0.00000 -0.00002 0.00016 0.00037 0.00044 153 4XY 0.00000 -0.00007 0.00081 0.00082 0.00016 154 4XZ 0.00000 -0.00013 0.00128 0.00069 0.00037 155 4YZ 0.00000 -0.00003 0.00036 0.00119 0.00014 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 -0.00002 -0.00003 -0.00005 158 2PX 0.00000 0.00000 -0.00004 0.00007 -0.00011 159 2PY 0.00000 0.00000 -0.00014 -0.00008 -0.00028 160 2PZ 0.00000 0.00000 0.00000 -0.00005 -0.00011 161 3S -0.00001 -0.00001 -0.00022 -0.00039 0.00117 162 3PX -0.00002 0.00004 -0.00092 0.00062 -0.00116 163 3PY 0.00000 0.00011 -0.00316 -0.00106 -0.00315 164 3PZ -0.00001 0.00000 0.00003 -0.00088 -0.00165 165 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00004 166 4YY 0.00000 0.00000 -0.00002 -0.00001 -0.00004 167 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 168 4XY 0.00000 0.00000 0.00002 0.00002 0.00009 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 170 4YZ 0.00000 0.00000 0.00001 0.00001 0.00005 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00011 -0.00026 -0.00014 173 2PX 0.00000 0.00000 -0.00032 -0.00038 -0.00014 174 2PY 0.00000 0.00000 -0.00002 -0.00028 0.00000 175 2PZ 0.00000 0.00000 -0.00018 -0.00047 -0.00011 176 3S 0.00002 0.00008 -0.00081 -0.00228 -0.00125 177 3PX -0.00004 0.00017 -0.00200 -0.00088 -0.00098 178 3PY -0.00001 0.00001 -0.00022 -0.00166 -0.00001 179 3PZ 0.00000 0.00010 -0.00134 -0.00248 -0.00070 180 4XX 0.00000 0.00000 0.00003 0.00009 -0.00001 181 4YY 0.00000 0.00000 -0.00001 -0.00005 0.00000 182 4ZZ 0.00000 0.00000 0.00001 0.00006 -0.00001 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00006 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00003 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00014 0.00067 0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00000 0.00010 0.00012 0.00000 111 112 113 114 115 111 2PZ 0.38143 112 3S 0.00000 0.32940 113 3PX 0.00000 0.00000 0.10160 114 3PY 0.00000 0.00000 0.00000 0.05234 115 3PZ 0.09839 0.00000 0.00000 0.00000 0.10253 116 4XX 0.00000 -0.00729 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00119 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00279 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.04990 0.05419 0.00196 0.01351 0.02314 123 2S 0.02999 0.03687 -0.00090 0.00987 0.02398 124 17 C 1S 0.00000 0.00026 0.00000 0.00028 0.00000 125 2S 0.00000 0.01029 0.00000 0.00861 0.00000 126 2PX 0.00000 0.00000 0.01740 0.00000 0.00000 127 2PY 0.00000 0.03374 0.00000 0.01848 0.00000 128 2PZ 0.01086 0.00000 0.00000 0.00000 0.01781 129 3S 0.00000 -0.01361 0.00000 -0.01173 0.00000 130 3PX 0.00000 0.00000 0.01747 0.00000 0.00000 131 3PY 0.00000 -0.01172 0.00000 0.00240 0.00000 132 3PZ 0.01781 0.00000 0.00000 0.00000 0.02683 133 4XX 0.00000 -0.00118 0.00000 -0.00137 0.00000 134 4YY 0.00000 0.00356 0.00000 0.00124 0.00000 135 4ZZ 0.00000 -0.00192 0.00000 -0.00095 0.00000 136 4XY 0.00000 0.00000 0.00103 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00225 0.00000 0.00000 0.00000 0.00116 139 18 H 1S -0.00002 -0.00361 0.00010 -0.00422 -0.00024 140 2S -0.00050 -0.01447 0.00014 -0.00811 -0.00032 141 19 O 1S -0.00025 0.00140 0.00015 -0.00027 0.00046 142 2S 0.00479 -0.02075 -0.00319 0.00297 -0.00553 143 2PX 0.01760 0.00352 0.00071 0.00077 0.00342 144 2PY 0.00303 0.00283 -0.00019 0.00425 0.00014 145 2PZ 0.00262 0.00488 0.00827 0.00120 -0.00135 146 3S 0.00647 -0.07407 -0.00233 0.00192 -0.01532 147 3PX 0.01851 0.00039 -0.00159 0.00003 0.00086 148 3PY 0.00509 0.00741 -0.00022 0.01112 0.00033 149 3PZ -0.00177 0.01055 0.01079 0.00224 -0.00697 150 4XX 0.00145 0.00209 -0.00121 0.00054 0.00143 151 4YY 0.00034 0.00074 -0.00008 -0.00021 0.00025 152 4ZZ -0.00042 0.00085 0.00115 0.00016 -0.00054 153 4XY 0.00106 0.00020 0.00001 0.00018 0.00008 154 4XZ -0.00007 0.00037 0.00001 0.00003 0.00007 155 4YZ 0.00007 0.00012 0.00022 0.00010 0.00000 156 20 O 1S 0.00000 -0.00011 0.00000 -0.00015 0.00000 157 2S -0.00002 0.00179 -0.00003 0.00174 0.00025 158 2PX -0.00005 -0.00092 0.00022 0.00022 -0.00027 159 2PY -0.00004 -0.00384 0.00076 -0.00369 0.00081 160 2PZ 0.00002 0.00026 -0.00065 -0.00124 -0.00030 161 3S -0.00121 0.00994 0.00081 0.01251 -0.00263 162 3PX -0.00104 -0.00454 -0.00090 0.00155 -0.00161 163 3PY -0.00071 -0.01573 0.00239 -0.00901 0.00201 164 3PZ -0.00016 0.00163 -0.00236 -0.00410 -0.00234 165 4XX 0.00002 0.00006 -0.00008 -0.00029 0.00017 166 4YY 0.00001 -0.00052 0.00001 -0.00050 0.00017 167 4ZZ 0.00000 -0.00009 0.00001 -0.00017 -0.00001 168 4XY 0.00000 -0.00003 0.00001 0.00008 0.00000 169 4XZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 170 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 171 21 C 1S 0.00000 0.00005 0.00012 0.00006 0.00001 172 2S -0.00006 -0.00062 -0.00157 -0.00088 0.00040 173 2PX -0.00034 -0.00244 -0.00133 -0.00011 -0.00089 174 2PY -0.00023 0.00043 -0.00159 -0.00074 -0.00102 175 2PZ -0.00004 -0.00161 -0.00243 0.00000 0.00011 176 3S -0.00052 0.00099 -0.00339 -0.00237 0.00193 177 3PX -0.00164 -0.00502 -0.00070 -0.00033 -0.00170 178 3PY -0.00137 0.00084 -0.00156 -0.00065 -0.00107 179 3PZ 0.00016 -0.00083 -0.00408 -0.00091 0.00023 180 4XX 0.00007 -0.00006 0.00027 0.00004 0.00013 181 4YY -0.00003 -0.00017 -0.00046 0.00005 -0.00025 182 4ZZ 0.00002 0.00023 0.00033 -0.00010 0.00015 183 4XY 0.00002 0.00002 -0.00010 -0.00004 -0.00005 184 4XZ 0.00003 -0.00008 0.00004 0.00001 0.00001 185 4YZ 0.00000 0.00000 0.00002 -0.00004 -0.00002 186 22 H 1S 0.00000 0.00005 0.00023 0.00000 0.00002 187 2S 0.00000 -0.00050 0.00265 0.00036 -0.00054 188 23 H 1S 0.00000 0.00018 0.00017 -0.00008 0.00017 189 2S 0.00043 0.00203 0.00046 -0.00046 0.00217 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00031 0.00121 118 4ZZ -0.00014 -0.00008 0.00151 119 4XY 0.00000 0.00000 0.00000 0.00141 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00146 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00151 0.00020 0.00153 0.00051 0.00025 123 2S -0.00284 0.00016 0.00253 0.00011 0.00004 124 17 C 1S 0.00000 -0.00026 0.00000 0.00000 0.00000 125 2S -0.00062 0.00347 -0.00060 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00188 0.00000 127 2PY -0.00158 0.00307 -0.00128 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S -0.00118 0.00357 -0.00192 0.00000 0.00000 130 3PX 0.00000 0.00000 0.00000 0.00103 0.00000 131 3PY -0.00137 0.00124 -0.00095 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00003 -0.00004 0.00000 0.00000 0.00000 134 4YY -0.00004 -0.00001 -0.00004 0.00000 0.00000 135 4ZZ 0.00000 -0.00004 0.00004 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 -0.00004 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00025 -0.00030 0.00023 0.00000 0.00001 141 19 O 1S -0.00005 0.00000 0.00000 -0.00004 -0.00007 142 2S 0.00122 -0.00017 0.00011 0.00084 0.00144 143 2PX -0.00088 -0.00043 0.00147 0.00039 0.00277 144 2PY 0.00085 0.00014 0.00022 0.00020 0.00106 145 2PZ 0.00372 -0.00029 -0.00052 0.00114 0.00020 146 3S 0.00219 -0.00013 0.00021 0.00097 0.00105 147 3PX -0.00184 -0.00137 0.00375 0.00003 0.00095 148 3PY 0.00134 -0.00053 0.00047 0.00067 0.00076 149 3PZ 0.00621 -0.00097 -0.00187 0.00070 0.00000 150 4XX -0.00006 -0.00001 0.00006 0.00002 0.00003 151 4YY 0.00008 -0.00003 0.00002 0.00002 0.00008 152 4ZZ 0.00000 0.00001 -0.00001 0.00000 -0.00002 153 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 154 4XZ 0.00002 -0.00002 -0.00001 0.00003 0.00005 155 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 161 3S -0.00007 0.00012 0.00003 0.00002 -0.00002 162 3PX -0.00002 0.00009 0.00007 0.00007 0.00000 163 3PY -0.00008 0.00034 0.00001 0.00014 -0.00004 164 3PZ 0.00003 0.00005 -0.00003 0.00005 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 -0.00001 0.00001 0.00002 0.00000 173 2PX 0.00005 -0.00002 0.00004 0.00004 0.00005 174 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 175 2PZ 0.00003 -0.00001 0.00002 0.00003 0.00003 176 3S -0.00005 -0.00008 0.00012 0.00006 -0.00005 177 3PX 0.00001 -0.00015 0.00037 0.00007 0.00006 178 3PY -0.00013 0.00003 0.00005 -0.00007 -0.00006 179 3PZ 0.00042 -0.00010 -0.00009 0.00003 -0.00002 180 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 184 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 185 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00010 0.00001 0.00003 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00008 0.00000 -0.00012 -0.00001 -0.00003 121 122 123 124 125 121 4YZ 0.00192 122 16 H 1S 0.00407 0.21684 123 2S 0.00070 0.10232 0.12977 124 17 C 1S 0.00000 0.00000 0.00021 2.05308 125 2S 0.00000 -0.00015 -0.00327 -0.01377 0.33270 126 2PX 0.00000 0.00000 -0.00019 0.00000 0.00000 127 2PY 0.00000 -0.00039 -0.00528 0.00000 0.00000 128 2PZ 0.00225 -0.00002 -0.00050 0.00000 0.00000 129 3S 0.00000 -0.00361 -0.01447 -0.03365 0.22867 130 3PX 0.00000 0.00010 0.00014 0.00000 0.00000 131 3PY 0.00000 -0.00422 -0.00811 0.00000 0.00000 132 3PZ 0.00116 -0.00024 -0.00032 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00025 -0.00093 -0.00908 134 4YY 0.00000 0.00000 -0.00030 -0.00141 0.00066 135 4ZZ 0.00000 0.00000 0.00023 -0.00117 -0.00410 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 4YZ -0.00020 0.00003 0.00019 0.00000 0.00000 139 18 H 1S 0.00003 0.00000 -0.00016 -0.00241 0.03865 140 2S 0.00019 -0.00016 -0.00072 -0.00196 0.02213 141 19 O 1S -0.00003 0.00000 0.00016 0.00000 0.00000 142 2S 0.00052 -0.00007 -0.00236 0.00000 -0.00002 143 2PX 0.00104 -0.00003 -0.00051 0.00000 -0.00004 144 2PY 0.00012 -0.00001 -0.00015 0.00000 -0.00014 145 2PZ 0.00000 -0.00016 -0.00351 0.00000 0.00000 146 3S 0.00085 -0.00325 -0.01362 -0.00001 -0.00022 147 3PX 0.00066 -0.00006 0.00098 0.00004 -0.00092 148 3PY 0.00039 -0.00013 -0.00035 0.00011 -0.00316 149 3PZ 0.00001 -0.00319 -0.01275 0.00000 0.00003 150 4XX -0.00002 0.00003 0.00009 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00014 0.00000 -0.00002 152 4ZZ -0.00001 0.00008 0.00047 0.00000 0.00000 153 4XY -0.00003 0.00001 0.00003 0.00000 0.00002 154 4XZ 0.00000 0.00007 0.00008 0.00000 0.00000 155 4YZ 0.00000 0.00001 0.00005 0.00000 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 157 2S 0.00000 0.00000 0.00003 -0.00002 0.00084 158 2PX 0.00001 0.00000 0.00007 -0.00020 0.01074 159 2PY 0.00001 0.00000 0.00012 -0.00004 0.00219 160 2PZ 0.00000 0.00000 0.00000 -0.00009 0.00441 161 3S 0.00000 0.00001 0.00028 0.00082 -0.00807 162 3PX 0.00006 0.00001 0.00067 -0.00191 0.02092 163 3PY 0.00009 0.00003 0.00120 -0.00069 0.00640 164 3PZ -0.00001 0.00001 -0.00002 -0.00088 0.00729 165 4XX 0.00000 0.00000 0.00000 -0.00008 0.00110 166 4YY 0.00000 0.00000 0.00002 -0.00001 0.00015 167 4ZZ 0.00000 0.00000 -0.00001 -0.00002 0.00016 168 4XY 0.00000 0.00000 0.00000 -0.00007 0.00081 169 4XZ 0.00000 0.00000 0.00000 -0.00013 0.00129 170 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00036 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00000 0.00017 0.00000 -0.00011 173 2PX 0.00004 0.00000 0.00022 0.00000 -0.00032 174 2PY 0.00000 0.00000 0.00016 0.00000 -0.00002 175 2PZ 0.00002 0.00000 0.00024 0.00000 -0.00018 176 3S 0.00007 0.00013 0.00124 0.00008 -0.00081 177 3PX 0.00007 0.00017 0.00143 0.00017 -0.00200 178 3PY -0.00005 0.00018 0.00115 0.00001 -0.00022 179 3PZ 0.00003 0.00007 0.00043 0.00010 -0.00134 180 4XX 0.00000 0.00000 0.00001 0.00000 0.00003 181 4YY 0.00000 0.00000 0.00001 0.00000 -0.00001 182 4ZZ 0.00000 0.00000 -0.00003 0.00000 0.00001 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00011 0.00000 0.00014 188 23 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 189 2S 0.00000 -0.00001 -0.00035 0.00000 0.00010 126 127 128 129 130 126 2PX 0.34243 127 2PY 0.00000 0.42495 128 2PZ 0.00000 0.00000 0.38142 129 3S 0.00000 0.00000 0.00000 0.32944 130 3PX 0.09262 0.00000 0.00000 0.00000 0.10159 131 3PY 0.00000 0.06603 0.00000 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.09839 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 -0.00730 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00120 0.00000 135 4ZZ 0.00000 0.00000 0.00000 -0.00279 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00589 0.04492 0.04989 0.05419 0.00196 140 2S 0.00208 0.02491 0.02999 0.03686 -0.00090 141 19 O 1S 0.00000 0.00000 0.00000 -0.00011 0.00000 142 2S -0.00003 -0.00005 -0.00002 0.00179 -0.00003 143 2PX 0.00007 -0.00011 -0.00005 -0.00092 0.00022 144 2PY -0.00008 -0.00028 -0.00004 -0.00384 0.00076 145 2PZ -0.00005 -0.00011 0.00002 0.00026 -0.00065 146 3S -0.00039 0.00116 -0.00121 0.00994 0.00081 147 3PX 0.00062 -0.00116 -0.00104 -0.00454 -0.00090 148 3PY -0.00106 -0.00316 -0.00071 -0.01573 0.00238 149 3PZ -0.00088 -0.00165 -0.00016 0.00163 -0.00236 150 4XX -0.00001 -0.00004 0.00002 0.00006 -0.00008 151 4YY -0.00001 -0.00004 0.00001 -0.00052 0.00001 152 4ZZ 0.00001 -0.00002 0.00000 -0.00009 0.00001 153 4XY 0.00002 0.00009 0.00000 -0.00003 0.00001 154 4XZ 0.00000 0.00001 0.00000 -0.00001 0.00000 155 4YZ 0.00001 0.00005 0.00000 0.00002 0.00002 156 20 O 1S -0.00042 -0.00005 -0.00025 0.00140 0.00015 157 2S 0.00766 0.00143 0.00479 -0.02075 -0.00319 158 2PX 0.01587 0.00597 0.01760 0.00352 0.00071 159 2PY 0.00589 -0.00059 0.00302 0.00283 -0.00019 160 2PZ 0.01807 0.00283 0.00262 0.00489 0.00827 161 3S 0.01396 -0.00376 0.00647 -0.07407 -0.00232 162 3PX 0.01158 0.00723 0.01852 0.00039 -0.00159 163 3PY 0.00953 -0.00353 0.00509 0.00740 -0.00022 164 3PZ 0.02019 0.00355 -0.00177 0.01055 0.01079 165 4XX -0.00095 0.00092 0.00145 0.00210 -0.00121 166 4YY 0.00052 0.00000 0.00034 0.00074 -0.00008 167 4ZZ 0.00037 0.00044 -0.00042 0.00085 0.00115 168 4XY 0.00082 0.00016 0.00106 0.00020 0.00001 169 4XZ 0.00069 0.00037 -0.00007 0.00037 0.00001 170 4YZ 0.00119 0.00014 0.00007 0.00012 0.00022 171 21 C 1S 0.00000 0.00000 0.00000 0.00005 0.00012 172 2S -0.00026 -0.00014 -0.00006 -0.00062 -0.00157 173 2PX -0.00038 -0.00014 -0.00033 -0.00244 -0.00133 174 2PY -0.00028 0.00000 -0.00023 0.00043 -0.00159 175 2PZ -0.00047 -0.00011 -0.00004 -0.00161 -0.00243 176 3S -0.00228 -0.00125 -0.00051 0.00099 -0.00339 177 3PX -0.00088 -0.00098 -0.00164 -0.00502 -0.00070 178 3PY -0.00166 -0.00001 -0.00137 0.00085 -0.00156 179 3PZ -0.00247 -0.00070 0.00016 -0.00083 -0.00408 180 4XX 0.00009 -0.00001 0.00007 -0.00006 0.00027 181 4YY -0.00005 0.00000 -0.00003 -0.00017 -0.00046 182 4ZZ 0.00006 -0.00001 0.00002 0.00023 0.00033 183 4XY 0.00000 0.00000 0.00002 0.00002 -0.00010 184 4XZ 0.00006 0.00000 0.00003 -0.00008 0.00004 185 4YZ 0.00003 0.00000 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00005 0.00023 187 2S 0.00067 0.00002 0.00000 -0.00050 0.00265 188 23 H 1S 0.00000 0.00000 0.00000 0.00018 0.00017 189 2S 0.00012 0.00000 0.00043 0.00203 0.00046 131 132 133 134 135 131 3PY 0.05234 132 3PZ 0.00000 0.10253 133 4XX 0.00000 0.00000 0.00284 134 4YY 0.00000 0.00000 -0.00031 0.00121 135 4ZZ 0.00000 0.00000 -0.00014 -0.00008 0.00151 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.01352 0.02314 -0.00151 0.00020 0.00153 140 2S 0.00987 0.02397 -0.00284 0.00017 0.00253 141 19 O 1S -0.00015 0.00000 0.00000 0.00000 0.00000 142 2S 0.00174 0.00025 0.00000 0.00000 0.00000 143 2PX 0.00022 -0.00027 0.00000 0.00001 0.00000 144 2PY -0.00369 0.00081 0.00000 0.00002 0.00000 145 2PZ -0.00123 -0.00030 0.00000 0.00000 0.00000 146 3S 0.01251 -0.00263 -0.00007 0.00012 0.00003 147 3PX 0.00155 -0.00161 -0.00002 0.00009 0.00007 148 3PY -0.00902 0.00202 -0.00008 0.00034 0.00001 149 3PZ -0.00410 -0.00234 0.00003 0.00005 -0.00003 150 4XX -0.00029 0.00017 0.00000 0.00000 0.00000 151 4YY -0.00050 0.00017 0.00000 0.00000 0.00000 152 4ZZ -0.00017 -0.00001 0.00000 0.00000 0.00000 153 4XY 0.00008 0.00000 0.00000 0.00001 0.00000 154 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00027 0.00046 -0.00005 0.00000 0.00000 157 2S 0.00297 -0.00553 0.00122 -0.00017 0.00011 158 2PX 0.00077 0.00342 -0.00088 -0.00043 0.00147 159 2PY 0.00426 0.00014 0.00085 0.00014 0.00022 160 2PZ 0.00120 -0.00135 0.00372 -0.00029 -0.00052 161 3S 0.00192 -0.01533 0.00219 -0.00014 0.00021 162 3PX 0.00003 0.00086 -0.00184 -0.00137 0.00375 163 3PY 0.01113 0.00033 0.00134 -0.00053 0.00047 164 3PZ 0.00224 -0.00696 0.00621 -0.00097 -0.00188 165 4XX 0.00054 0.00143 -0.00006 -0.00001 0.00006 166 4YY -0.00021 0.00025 0.00008 -0.00003 0.00002 167 4ZZ 0.00016 -0.00054 0.00000 0.00001 -0.00001 168 4XY 0.00018 0.00008 -0.00004 0.00001 0.00004 169 4XZ 0.00003 0.00007 0.00002 -0.00002 -0.00001 170 4YZ 0.00010 0.00000 0.00016 0.00000 -0.00003 171 21 C 1S 0.00006 0.00001 0.00000 0.00000 0.00000 172 2S -0.00088 0.00040 0.00001 -0.00001 0.00001 173 2PX -0.00011 -0.00089 0.00005 -0.00002 0.00004 174 2PY -0.00074 -0.00102 0.00000 0.00000 0.00001 175 2PZ 0.00000 0.00011 0.00003 -0.00001 0.00002 176 3S -0.00237 0.00193 -0.00005 -0.00008 0.00012 177 3PX -0.00033 -0.00170 0.00000 -0.00015 0.00037 178 3PY -0.00064 -0.00107 -0.00013 0.00003 0.00005 179 3PZ -0.00091 0.00023 0.00042 -0.00010 -0.00009 180 4XX 0.00004 0.00013 -0.00001 0.00000 0.00001 181 4YY 0.00005 -0.00025 0.00000 0.00000 0.00000 182 4ZZ -0.00010 0.00015 0.00001 0.00000 0.00000 183 4XY -0.00004 -0.00005 0.00000 0.00000 0.00000 184 4XZ 0.00001 0.00001 0.00001 0.00000 0.00000 185 4YZ -0.00004 -0.00002 0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 187 2S 0.00036 -0.00054 -0.00010 0.00001 0.00003 188 23 H 1S -0.00008 0.00017 0.00000 0.00000 0.00000 189 2S -0.00046 0.00217 0.00008 0.00000 -0.00012 136 137 138 139 140 136 4XY 0.00141 137 4XZ 0.00000 0.00146 138 4YZ 0.00000 0.00000 0.00192 139 18 H 1S 0.00051 0.00025 0.00407 0.21684 140 2S 0.00011 0.00004 0.00070 0.10232 0.12978 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00003 143 2PX 0.00001 0.00000 0.00001 0.00000 0.00007 144 2PY 0.00001 0.00000 0.00001 0.00000 0.00012 145 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 146 3S 0.00002 -0.00002 0.00000 0.00001 0.00028 147 3PX 0.00007 0.00000 0.00006 0.00001 0.00067 148 3PY 0.00014 -0.00004 0.00009 0.00003 0.00120 149 3PZ 0.00005 0.00000 -0.00001 0.00001 -0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00000 0.00000 0.00002 152 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00004 -0.00007 -0.00003 0.00000 0.00016 157 2S 0.00084 0.00144 0.00052 -0.00007 -0.00236 158 2PX 0.00039 0.00277 0.00103 -0.00003 -0.00051 159 2PY 0.00020 0.00106 0.00012 -0.00001 -0.00015 160 2PZ 0.00114 0.00020 0.00000 -0.00016 -0.00351 161 3S 0.00097 0.00105 0.00085 -0.00325 -0.01362 162 3PX 0.00003 0.00095 0.00066 -0.00006 0.00098 163 3PY 0.00067 0.00076 0.00039 -0.00013 -0.00035 164 3PZ 0.00070 0.00000 0.00001 -0.00319 -0.01275 165 4XX 0.00002 0.00003 -0.00002 0.00003 0.00009 166 4YY 0.00002 0.00008 0.00001 0.00000 0.00014 167 4ZZ 0.00000 -0.00002 -0.00001 0.00008 0.00047 168 4XY 0.00000 0.00013 -0.00003 0.00001 0.00003 169 4XZ 0.00003 0.00005 0.00000 0.00007 0.00008 170 4YZ -0.00002 0.00001 0.00000 0.00001 0.00005 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00000 0.00002 0.00000 0.00017 173 2PX 0.00004 0.00005 0.00004 0.00000 0.00022 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00016 175 2PZ 0.00003 0.00003 0.00002 0.00000 0.00024 176 3S 0.00006 -0.00005 0.00007 0.00013 0.00124 177 3PX 0.00007 0.00006 0.00007 0.00017 0.00143 178 3PY -0.00007 -0.00006 -0.00005 0.00018 0.00115 179 3PZ 0.00003 -0.00002 0.00003 0.00007 0.00043 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00001 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 182 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 183 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00001 -0.00001 0.00000 0.00011 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 189 2S -0.00001 -0.00003 0.00000 -0.00001 -0.00035 141 142 143 144 145 141 19 O 1S 2.07618 142 2S -0.04171 0.50284 143 2PX 0.00000 0.00000 0.64515 144 2PY 0.00000 0.00000 0.00000 0.65534 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.72023 146 3S -0.04198 0.45994 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.20441 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.21116 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.23677 150 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 151 4YY -0.00042 -0.00462 0.00000 0.00000 0.00000 152 4ZZ -0.00045 -0.00364 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 -0.00001 0.00000 -0.00007 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00035 0.00000 -0.00097 0.00000 162 3PX 0.00000 0.00000 0.00008 0.00000 0.00000 163 3PY 0.00002 -0.00049 0.00000 -0.00579 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00004 -0.00017 -0.00003 172 2S 0.00000 -0.00007 0.00268 0.01086 0.00177 173 2PX -0.00012 0.00252 0.00047 0.01207 0.00190 174 2PY -0.00034 0.00703 0.01055 0.02156 0.00807 175 2PZ -0.00008 0.00163 0.00205 0.00849 -0.00029 176 3S 0.00104 -0.01572 0.00172 0.00982 0.00124 177 3PX 0.00016 -0.00180 -0.00020 0.00557 0.00182 178 3PY -0.00014 0.00072 0.00523 0.00125 0.00412 179 3PZ 0.00011 -0.00119 0.00271 0.00376 0.00312 180 4XX 0.00001 -0.00022 -0.00009 0.00023 0.00035 181 4YY -0.00006 0.00173 0.00157 -0.00034 0.00107 182 4ZZ 0.00001 -0.00020 0.00019 -0.00006 0.00009 183 4XY -0.00004 0.00100 -0.00010 0.00244 0.00122 184 4XZ -0.00001 0.00019 0.00003 0.00088 0.00000 185 4YZ -0.00003 0.00077 0.00121 0.00176 -0.00002 186 22 H 1S 0.00000 -0.00005 -0.00022 -0.00004 0.00001 187 2S 0.00004 -0.00092 -0.00553 -0.00111 0.00048 188 23 H 1S 0.00000 -0.00004 0.00002 -0.00004 -0.00022 189 2S 0.00006 -0.00079 0.00100 -0.00101 -0.00699 146 147 148 149 150 146 3S 0.78071 147 3PX 0.00000 0.26926 148 3PY 0.00000 0.00000 0.27225 149 3PZ 0.00000 0.00000 0.00000 0.31740 150 4XX -0.00300 0.00000 0.00000 0.00000 0.00091 151 4YY -0.01288 0.00000 0.00000 0.00000 -0.00008 152 4ZZ -0.00581 0.00000 0.00000 0.00000 0.00002 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00001 0.00000 0.00002 0.00000 0.00000 157 2S 0.00035 0.00000 -0.00049 0.00000 0.00000 158 2PX 0.00000 0.00008 0.00000 0.00000 0.00000 159 2PY -0.00097 0.00000 -0.00579 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00002 0.00000 161 3S 0.00634 0.00000 -0.00444 0.00000 -0.00002 162 3PX 0.00000 0.00091 0.00000 0.00000 0.00000 163 3PY -0.00444 0.00000 -0.02468 0.00000 -0.00007 164 3PZ 0.00000 0.00000 0.00000 0.00043 0.00000 165 4XX -0.00002 0.00000 -0.00007 0.00000 0.00000 166 4YY -0.00026 0.00000 0.00002 0.00000 0.00000 167 4ZZ 0.00001 0.00000 -0.00004 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 171 21 C 1S 0.00089 -0.00036 -0.00268 -0.00021 0.00000 172 2S -0.01433 0.00390 0.02690 0.00215 -0.00002 173 2PX 0.00277 -0.00344 0.01734 0.00124 -0.00015 174 2PY 0.00720 0.01106 0.02022 0.00941 -0.00031 175 2PZ 0.00243 0.00147 0.01256 -0.00402 0.00001 176 3S -0.06154 0.00145 0.02190 0.00059 0.00036 177 3PX -0.00547 0.00003 0.00902 0.00255 -0.00036 178 3PY -0.00298 0.00681 0.00004 0.00586 -0.00015 179 3PZ -0.00496 0.00458 0.00593 0.00946 -0.00006 180 4XX -0.00106 -0.00128 0.00081 0.00134 0.00002 181 4YY 0.00563 0.00226 -0.00058 0.00157 -0.00010 182 4ZZ -0.00164 0.00109 -0.00025 -0.00103 -0.00001 183 4XY 0.00085 0.00029 0.00114 0.00086 0.00000 184 4XZ 0.00009 -0.00005 0.00061 0.00017 0.00000 185 4YZ 0.00062 0.00086 0.00081 0.00080 -0.00004 186 22 H 1S -0.00144 -0.00530 -0.00047 0.00039 0.00009 187 2S -0.00054 -0.02216 -0.00294 0.00217 0.00062 188 23 H 1S -0.00192 0.00067 -0.00077 -0.00539 0.00000 189 2S -0.00675 0.00496 -0.00371 -0.02733 -0.00015 151 152 153 154 155 151 4YY 0.00284 152 4ZZ -0.00006 0.00080 153 4XY 0.00000 0.00000 0.00152 154 4XZ 0.00000 0.00000 0.00000 0.00046 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00145 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00026 0.00001 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 163 3PY 0.00002 -0.00004 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S -0.00013 0.00000 -0.00006 -0.00001 -0.00005 172 2S 0.00252 -0.00009 0.00085 0.00011 0.00064 173 2PX 0.00207 -0.00003 -0.00002 -0.00001 0.00046 174 2PY 0.00178 -0.00021 0.00055 0.00012 0.00053 175 2PZ 0.00140 -0.00004 0.00041 0.00005 0.00007 176 3S 0.00288 0.00020 0.00030 0.00002 0.00024 177 3PX 0.00112 -0.00003 0.00011 0.00004 0.00011 178 3PY 0.00042 0.00010 0.00005 -0.00001 0.00004 179 3PZ 0.00079 -0.00017 0.00013 0.00007 0.00025 180 4XX 0.00002 -0.00004 -0.00001 0.00000 0.00001 181 4YY -0.00004 -0.00006 0.00011 -0.00004 0.00007 182 4ZZ 0.00000 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00016 -0.00004 -0.00001 0.00000 0.00009 184 4XZ 0.00014 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00013 0.00000 0.00008 0.00000 0.00001 186 22 H 1S 0.00000 -0.00001 0.00003 0.00000 0.00000 187 2S -0.00031 -0.00025 -0.00010 0.00000 0.00001 188 23 H 1S 0.00000 0.00008 0.00000 0.00002 0.00002 189 2S -0.00015 0.00077 0.00002 0.00005 -0.00014 156 157 158 159 160 156 20 O 1S 2.07618 157 2S -0.04171 0.50284 158 2PX 0.00000 0.00000 0.64515 159 2PY 0.00000 0.00000 0.00000 0.65531 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.72026 161 3S -0.04198 0.45994 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.20441 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.21115 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.23678 165 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 166 4YY -0.00042 -0.00462 0.00000 0.00000 0.00000 167 4ZZ -0.00045 -0.00364 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00004 -0.00017 -0.00003 172 2S 0.00000 -0.00007 0.00268 0.01086 0.00176 173 2PX -0.00012 0.00252 0.00047 0.01207 0.00190 174 2PY -0.00034 0.00703 0.01055 0.02157 0.00806 175 2PZ -0.00008 0.00163 0.00205 0.00849 -0.00029 176 3S 0.00104 -0.01572 0.00172 0.00983 0.00123 177 3PX 0.00016 -0.00180 -0.00020 0.00558 0.00182 178 3PY -0.00014 0.00072 0.00523 0.00125 0.00412 179 3PZ 0.00011 -0.00119 0.00271 0.00376 0.00312 180 4XX 0.00001 -0.00022 -0.00009 0.00023 0.00035 181 4YY -0.00006 0.00173 0.00157 -0.00033 0.00107 182 4ZZ 0.00001 -0.00020 0.00019 -0.00006 0.00009 183 4XY -0.00004 0.00100 -0.00010 0.00245 0.00122 184 4XZ -0.00001 0.00019 0.00003 0.00088 0.00000 185 4YZ -0.00003 0.00077 0.00121 0.00176 -0.00002 186 22 H 1S 0.00000 -0.00005 -0.00022 -0.00004 0.00001 187 2S 0.00004 -0.00092 -0.00553 -0.00111 0.00047 188 23 H 1S 0.00000 -0.00004 0.00002 -0.00004 -0.00022 189 2S 0.00006 -0.00079 0.00100 -0.00101 -0.00699 161 162 163 164 165 161 3S 0.78072 162 3PX 0.00000 0.26926 163 3PY 0.00000 0.00000 0.27223 164 3PZ 0.00000 0.00000 0.00000 0.31742 165 4XX -0.00300 0.00000 0.00000 0.00000 0.00091 166 4YY -0.01287 0.00000 0.00000 0.00000 -0.00008 167 4ZZ -0.00581 0.00000 0.00000 0.00000 0.00002 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00089 -0.00036 -0.00268 -0.00021 0.00000 172 2S -0.01433 0.00389 0.02691 0.00214 -0.00002 173 2PX 0.00277 -0.00344 0.01734 0.00124 -0.00015 174 2PY 0.00720 0.01107 0.02024 0.00941 -0.00031 175 2PZ 0.00243 0.00147 0.01255 -0.00402 0.00001 176 3S -0.06154 0.00145 0.02190 0.00059 0.00036 177 3PX -0.00547 0.00003 0.00902 0.00255 -0.00036 178 3PY -0.00299 0.00681 0.00004 0.00586 -0.00015 179 3PZ -0.00496 0.00458 0.00592 0.00947 -0.00006 180 4XX -0.00106 -0.00128 0.00081 0.00134 0.00002 181 4YY 0.00563 0.00226 -0.00057 0.00157 -0.00010 182 4ZZ -0.00164 0.00109 -0.00026 -0.00102 -0.00001 183 4XY 0.00085 0.00029 0.00114 0.00086 0.00000 184 4XZ 0.00009 -0.00005 0.00060 0.00017 0.00000 185 4YZ 0.00062 0.00086 0.00081 0.00080 -0.00004 186 22 H 1S -0.00144 -0.00530 -0.00047 0.00039 0.00009 187 2S -0.00054 -0.02216 -0.00293 0.00216 0.00062 188 23 H 1S -0.00192 0.00067 -0.00077 -0.00539 0.00000 189 2S -0.00675 0.00496 -0.00371 -0.02733 -0.00015 166 167 168 169 170 166 4YY 0.00284 167 4ZZ -0.00006 0.00080 168 4XY 0.00000 0.00000 0.00152 169 4XZ 0.00000 0.00000 0.00000 0.00046 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00145 171 21 C 1S -0.00013 0.00000 -0.00006 -0.00001 -0.00005 172 2S 0.00252 -0.00009 0.00085 0.00011 0.00064 173 2PX 0.00207 -0.00003 -0.00002 -0.00001 0.00046 174 2PY 0.00178 -0.00021 0.00055 0.00012 0.00053 175 2PZ 0.00140 -0.00004 0.00041 0.00005 0.00007 176 3S 0.00288 0.00020 0.00030 0.00002 0.00024 177 3PX 0.00112 -0.00003 0.00011 0.00004 0.00011 178 3PY 0.00042 0.00010 0.00005 -0.00001 0.00004 179 3PZ 0.00079 -0.00017 0.00013 0.00007 0.00025 180 4XX 0.00002 -0.00004 -0.00001 0.00000 0.00001 181 4YY -0.00004 -0.00006 0.00011 -0.00004 0.00007 182 4ZZ 0.00000 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00016 -0.00004 -0.00001 0.00000 0.00009 184 4XZ 0.00014 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00013 0.00000 0.00008 0.00000 0.00001 186 22 H 1S 0.00000 -0.00001 0.00003 0.00000 0.00000 187 2S -0.00031 -0.00025 -0.00010 0.00000 0.00001 188 23 H 1S 0.00000 0.00008 0.00000 0.00002 0.00002 189 2S -0.00015 0.00077 0.00002 0.00005 -0.00014 171 172 173 174 175 171 21 C 1S 2.05026 172 2S -0.01451 0.34527 173 2PX 0.00000 0.00000 0.41374 174 2PY 0.00000 0.00000 0.00000 0.28616 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.43026 176 3S -0.02853 0.21770 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.08615 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.04349 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.08371 180 4XX -0.00139 -0.00011 0.00000 0.00000 0.00000 181 4YY -0.00102 -0.00770 0.00000 0.00000 0.00000 182 4ZZ -0.00143 0.00062 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00192 0.03396 0.08991 0.00000 0.01120 187 2S -0.00117 0.01726 0.05216 0.00000 0.00756 188 23 H 1S -0.00194 0.03407 0.00225 0.00000 0.09857 189 2S -0.00114 0.01739 0.00194 0.00000 0.05831 176 177 178 179 180 176 3S 0.24104 177 3PX 0.00000 0.06178 178 3PY 0.00000 0.00000 0.02824 179 3PZ 0.00000 0.00000 0.00000 0.06597 180 4XX 0.00123 0.00000 0.00000 0.00000 0.00298 181 4YY -0.00809 0.00000 0.00000 0.00000 -0.00035 182 4ZZ 0.00233 0.00000 0.00000 0.00000 -0.00051 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.04149 0.04466 0.00000 0.00202 0.00754 187 2S 0.02413 0.03595 0.00000 0.00023 0.00803 188 23 H 1S 0.04287 0.00041 0.00000 0.04299 -0.00144 189 2S 0.02661 0.00039 0.00000 0.02688 -0.00552 181 182 183 184 185 181 4YY 0.00328 182 4ZZ -0.00042 0.00313 183 4XY 0.00000 0.00000 0.00256 184 4XZ 0.00000 0.00000 0.00000 0.00121 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00235 186 22 H 1S -0.00140 -0.00146 0.00000 0.00171 0.00000 187 2S -0.00271 -0.00464 0.00000 0.00034 0.00000 188 23 H 1S -0.00139 0.00895 0.00000 0.00023 0.00000 189 2S -0.00278 0.00958 0.00000 0.00000 0.00000 186 187 188 189 186 22 H 1S 0.22294 187 2S 0.11287 0.16171 188 23 H 1S -0.00058 -0.00997 0.22259 189 2S -0.01097 -0.04053 0.11685 0.18519 Gross orbital populations: 1 1 1 C 1S 1.99281 2 2S 0.70141 3 2PX 0.62542 4 2PY 0.72167 5 2PZ 0.68156 6 3S 0.60319 7 3PX 0.30464 8 3PY 0.25718 9 3PZ 0.25874 10 4XX -0.01401 11 4YY 0.01101 12 4ZZ -0.00501 13 4XY 0.00445 14 4XZ 0.00748 15 4YZ 0.00652 16 2 H 1S 0.53364 17 2S 0.33921 18 3 C 1S 1.99197 19 2S 0.70230 20 2PX 0.66078 21 2PY 0.74643 22 2PZ 0.67727 23 3S 0.50064 24 3PX 0.30133 25 3PY 0.20192 26 3PZ 0.31650 27 4XX -0.00998 28 4YY 0.00140 29 4ZZ -0.00732 30 4XY 0.00900 31 4XZ 0.00562 32 4YZ 0.00981 33 4 H 1S 0.53332 34 2S 0.35120 35 5 C 1S 1.99197 36 2S 0.70230 37 2PX 0.66079 38 2PY 0.74642 39 2PZ 0.67728 40 3S 0.50064 41 3PX 0.30130 42 3PY 0.20194 43 3PZ 0.31650 44 4XX -0.00998 45 4YY 0.00140 46 4ZZ -0.00732 47 4XY 0.00900 48 4XZ 0.00562 49 4YZ 0.00981 50 6 H 1S 0.53332 51 2S 0.35120 52 7 C 1S 1.99281 53 2S 0.70141 54 2PX 0.62544 55 2PY 0.72166 56 2PZ 0.68155 57 3S 0.60321 58 3PX 0.30460 59 3PY 0.25719 60 3PZ 0.25874 61 4XX -0.01400 62 4YY 0.01101 63 4ZZ -0.00501 64 4XY 0.00445 65 4XZ 0.00748 66 4YZ 0.00652 67 8 H 1S 0.53364 68 2S 0.33920 69 9 C 1S 1.99221 70 2S 0.68102 71 2PX 0.71910 72 2PY 0.68985 73 2PZ 0.69611 74 3S 0.58732 75 3PX 0.33866 76 3PY 0.26388 77 3PZ 0.28329 78 4XX 0.00486 79 4YY -0.00227 80 4ZZ -0.00063 81 4XY 0.00702 82 4XZ 0.00957 83 4YZ 0.00772 84 10 H 1S 0.52593 85 2S 0.33048 86 11 H 1S 0.52755 87 2S 0.32789 88 12 C 1S 1.99221 89 2S 0.68102 90 2PX 0.71910 91 2PY 0.68985 92 2PZ 0.69611 93 3S 0.58732 94 3PX 0.33866 95 3PY 0.26390 96 3PZ 0.28328 97 4XX 0.00486 98 4YY -0.00227 99 4ZZ -0.00063 100 4XY 0.00702 101 4XZ 0.00957 102 4YZ 0.00772 103 13 H 1S 0.52755 104 2S 0.32789 105 14 H 1S 0.52593 106 2S 0.33048 107 15 C 1S 1.99238 108 2S 0.70395 109 2PX 0.58745 110 2PY 0.75198 111 2PZ 0.65507 112 3S 0.50407 113 3PX 0.23753 114 3PY 0.17143 115 3PZ 0.27954 116 4XX -0.00693 117 4YY 0.00815 118 4ZZ -0.00343 119 4XY 0.01082 120 4XZ 0.01094 121 4YZ 0.01430 122 16 H 1S 0.53223 123 2S 0.29826 124 17 C 1S 1.99238 125 2S 0.70395 126 2PX 0.58744 127 2PY 0.75200 128 2PZ 0.65505 129 3S 0.50409 130 3PX 0.23751 131 3PY 0.17145 132 3PZ 0.27954 133 4XX -0.00693 134 4YY 0.00815 135 4ZZ -0.00343 136 4XY 0.01082 137 4XZ 0.01094 138 4YZ 0.01430 139 18 H 1S 0.53223 140 2S 0.29826 141 19 O 1S 1.99238 142 2S 0.89918 143 2PX 0.93241 144 2PY 0.94935 145 2PZ 1.01547 146 3S 1.02323 147 3PX 0.52032 148 3PY 0.56558 149 3PZ 0.58455 150 4XX 0.00086 151 4YY -0.00162 152 4ZZ -0.00654 153 4XY 0.00754 154 4XZ 0.00382 155 4YZ 0.00628 156 20 O 1S 1.99238 157 2S 0.89917 158 2PX 0.93240 159 2PY 0.94932 160 2PZ 1.01550 161 3S 1.02323 162 3PX 0.52032 163 3PY 0.56556 164 3PZ 0.58458 165 4XX 0.00086 166 4YY -0.00162 167 4ZZ -0.00654 168 4XY 0.00754 169 4XZ 0.00382 170 4YZ 0.00628 171 21 C 1S 1.99201 172 2S 0.71310 173 2PX 0.70867 174 2PY 0.51737 175 2PZ 0.73274 176 3S 0.47410 177 3PX 0.23612 178 3PY 0.10666 179 3PZ 0.25033 180 4XX 0.01193 181 4YY 0.00118 182 4ZZ 0.01379 183 4XY 0.01804 184 4XZ 0.00776 185 4YZ 0.01627 186 22 H 1S 0.53862 187 2S 0.30641 188 23 H 1S 0.53904 189 2S 0.31146 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.029722 0.363142 0.511398 -0.053714 -0.044489 0.006254 2 H 0.363142 0.610285 -0.041431 -0.007466 0.007152 -0.000136 3 C 0.511398 -0.041431 4.926648 0.368703 0.551159 -0.050671 4 H -0.053714 -0.007466 0.368703 0.622243 -0.050675 -0.007450 5 C -0.044489 0.007152 0.551159 -0.050675 4.926743 0.368704 6 H 0.006254 -0.000136 -0.050671 -0.007450 0.368704 0.622238 7 C -0.023856 0.000206 -0.044484 0.006255 0.511355 -0.053715 8 H 0.000206 -0.000004 0.007152 -0.000136 -0.041429 -0.007465 9 C -0.035371 0.005444 -0.030721 -0.000188 -0.021557 0.005456 10 H 0.002048 -0.000125 0.002114 0.000006 -0.006113 -0.000043 11 H 0.001753 -0.000175 0.000943 0.000016 0.003919 -0.000192 12 C 0.375300 -0.050002 -0.021560 0.005456 -0.030722 -0.000187 13 H -0.034010 -0.000701 0.003917 -0.000192 0.000943 0.000016 14 H -0.038346 -0.000811 -0.006110 -0.000043 0.002113 0.000006 15 C 0.159109 -0.014273 -0.034439 0.001182 -0.033004 -0.000002 16 H -0.031321 -0.001369 -0.006344 0.000552 0.002521 0.000003 17 C -0.011950 0.001869 -0.032995 -0.000001 -0.034471 0.001182 18 H 0.001796 -0.000049 0.002519 0.000003 -0.006346 0.000553 19 O -0.021071 0.001399 0.001071 -0.000032 0.000993 0.000002 20 O -0.000631 -0.000023 0.000993 0.000002 0.001073 -0.000032 21 C 0.000315 -0.000093 -0.000148 0.000000 -0.000148 0.000000 22 H -0.000132 0.000001 0.000013 0.000000 0.000013 0.000000 23 H 0.000908 0.000011 -0.000070 0.000000 -0.000070 0.000000 7 8 9 10 11 12 1 C -0.023856 0.000206 -0.035371 0.002048 0.001753 0.375300 2 H 0.000206 -0.000004 0.005444 -0.000125 -0.000175 -0.050002 3 C -0.044484 0.007152 -0.030721 0.002114 0.000943 -0.021560 4 H 0.006255 -0.000136 -0.000188 0.000006 0.000016 0.005456 5 C 0.511355 -0.041429 -0.021557 -0.006113 0.003919 -0.030722 6 H -0.053715 -0.007465 0.005456 -0.000043 -0.000192 -0.000187 7 C 5.029749 0.363141 0.375293 -0.038347 -0.034007 -0.035365 8 H 0.363141 0.610283 -0.050000 -0.000811 -0.000703 0.005444 9 C 0.375293 -0.050000 5.061504 0.372522 0.352025 0.339180 10 H -0.038347 -0.000811 0.372522 0.604323 -0.040772 -0.032920 11 H -0.034007 -0.000703 0.352025 -0.040772 0.608704 -0.030482 12 C -0.035365 0.005444 0.339180 -0.032920 -0.030482 5.061514 13 H 0.001752 -0.000175 -0.030481 0.004663 -0.014025 0.352018 14 H 0.002050 -0.000125 -0.032921 -0.013179 0.004662 0.372523 15 C -0.011953 0.001870 -0.018640 0.000377 0.001400 -0.009648 16 H 0.001795 -0.000049 0.000292 0.000006 -0.000069 0.001367 17 C 0.159144 -0.014281 -0.009659 0.002675 -0.012452 -0.018634 18 H -0.031335 -0.001371 0.001368 -0.000098 0.000687 0.000292 19 O -0.000631 -0.000023 0.001088 -0.000035 -0.000047 -0.007180 20 O -0.021081 0.001400 -0.007172 0.000097 0.016357 0.001087 21 C 0.000315 -0.000094 -0.000418 -0.000022 -0.000779 -0.000419 22 H -0.000132 0.000001 0.000098 -0.000002 0.000316 0.000098 23 H 0.000908 0.000011 0.000555 0.000046 -0.001633 0.000557 13 14 15 16 17 18 1 C -0.034010 -0.038346 0.159109 -0.031321 -0.011950 0.001796 2 H -0.000701 -0.000811 -0.014273 -0.001369 0.001869 -0.000049 3 C 0.003917 -0.006110 -0.034439 -0.006344 -0.032995 0.002519 4 H -0.000192 -0.000043 0.001182 0.000552 -0.000001 0.000003 5 C 0.000943 0.002113 -0.033004 0.002521 -0.034471 -0.006346 6 H 0.000016 0.000006 -0.000002 0.000003 0.001182 0.000553 7 C 0.001752 0.002050 -0.011953 0.001795 0.159144 -0.031335 8 H -0.000175 -0.000125 0.001870 -0.000049 -0.014281 -0.001371 9 C -0.030481 -0.032921 -0.018640 0.000292 -0.009659 0.001368 10 H 0.004663 -0.013179 0.000377 0.000006 0.002675 -0.000098 11 H -0.014025 0.004662 0.001400 -0.000069 -0.012452 0.000687 12 C 0.352018 0.372523 -0.009648 0.001367 -0.018634 0.000292 13 H 0.608711 -0.040776 -0.012463 0.000687 0.001400 -0.000069 14 H -0.040776 0.604328 0.002674 -0.000098 0.000377 0.000006 15 C -0.012463 0.002674 4.956495 0.382446 0.452976 -0.039911 16 H 0.000687 -0.000098 0.382446 0.551247 -0.039911 -0.001043 17 C 0.001400 0.000377 0.452976 -0.039911 4.956512 0.382446 18 H -0.000069 0.000006 -0.039911 -0.001043 0.382446 0.551269 19 O 0.016368 0.000097 0.209169 -0.037954 -0.032246 0.002415 20 O -0.000046 -0.000035 -0.032243 0.002415 0.209154 -0.037955 21 C -0.000780 -0.000022 -0.052124 0.005572 -0.052126 0.005571 22 H 0.000316 -0.000002 0.003053 0.000111 0.003054 0.000111 23 H -0.001634 0.000046 0.005198 -0.000368 0.005197 -0.000368 19 20 21 22 23 1 C -0.021071 -0.000631 0.000315 -0.000132 0.000908 2 H 0.001399 -0.000023 -0.000093 0.000001 0.000011 3 C 0.001071 0.000993 -0.000148 0.000013 -0.000070 4 H -0.000032 0.000002 0.000000 0.000000 0.000000 5 C 0.000993 0.001073 -0.000148 0.000013 -0.000070 6 H 0.000002 -0.000032 0.000000 0.000000 0.000000 7 C -0.000631 -0.021081 0.000315 -0.000132 0.000908 8 H -0.000023 0.001400 -0.000094 0.000001 0.000011 9 C 0.001088 -0.007172 -0.000418 0.000098 0.000555 10 H -0.000035 0.000097 -0.000022 -0.000002 0.000046 11 H -0.000047 0.016357 -0.000779 0.000316 -0.001633 12 C -0.007180 0.001087 -0.000419 0.000098 0.000557 13 H 0.016368 -0.000046 -0.000780 0.000316 -0.001634 14 H 0.000097 -0.000035 -0.000022 -0.000002 0.000046 15 C 0.209169 -0.032243 -0.052124 0.003053 0.005198 16 H -0.037954 0.002415 0.005572 0.000111 -0.000368 17 C -0.032246 0.209154 -0.052126 0.003054 0.005197 18 H 0.002415 -0.037955 0.005571 0.000111 -0.000368 19 O 8.238482 -0.040238 0.246433 -0.037529 -0.047731 20 O -0.040238 8.238515 0.246440 -0.037530 -0.047732 21 C 0.246433 0.246440 4.680533 0.364826 0.357234 22 H -0.037529 -0.037530 0.364826 0.610393 -0.062047 23 H -0.047731 -0.047732 0.357234 -0.062047 0.641484 Mulliken charges: 1 1 C -0.157060 2 H 0.127150 3 C -0.107658 4 H 0.115479 5 C -0.107662 6 H 0.115479 7 C -0.157056 8 H 0.127157 9 C -0.277698 10 H 0.143589 11 H 0.144554 12 C -0.277714 13 H 0.144563 14 H 0.143585 15 C 0.082751 16 H 0.169511 17 C 0.082741 18 H 0.169508 19 O -0.492803 20 O -0.492816 21 C 0.199933 22 H 0.154972 23 H 0.149497 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.029910 3 C 0.007821 5 C 0.007816 7 C -0.029900 9 C 0.010445 12 C 0.010434 15 C 0.252262 17 C 0.252248 19 O -0.492803 20 O -0.492816 21 C 0.504401 APT charges: 1 1 C -0.592975 2 H 0.460240 3 C -0.484315 4 H 0.584585 5 C -0.484341 6 H 0.584578 7 C -0.592966 8 H 0.460222 9 C -0.861208 10 H 0.546145 11 H 0.334930 12 C -0.861187 13 H 0.334891 14 H 0.546156 15 C -0.365226 16 H 0.517986 17 C -0.365230 18 H 0.517996 19 O -0.345459 20 O -0.345488 21 C -0.539872 22 H 0.630550 23 H 0.319987 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.132735 3 C 0.100270 5 C 0.100237 7 C -0.132744 9 C 0.019867 12 C 0.019861 15 C 0.152759 17 C 0.152766 19 O -0.345459 20 O -0.345488 21 C 0.410666 Electronic spatial extent (au): = 1390.8344 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.3103 Y= 0.0000 Z= -0.2100 Tot= 0.3746 Quadrupole moment (field-independent basis, Debye-Ang): XX= -65.8577 YY= -66.1585 ZZ= -61.7283 XY= 0.0002 XZ= -2.6008 YZ= -0.0005 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.2762 YY= -1.5770 ZZ= 2.8532 XY= 0.0002 XZ= -2.6008 YZ= -0.0005 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -34.8769 YYY= 0.0017 ZZZ= -2.9497 XYY= 5.2693 XXY= -0.0016 XXZ= 1.4944 XZZ= -3.9433 YZZ= -0.0007 YYZ= -5.0904 XYZ= 0.0012 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -927.5914 YYYY= -454.7167 ZZZZ= -407.1428 XXXY= 0.0032 XXXZ= -19.5296 YYYX= -0.0008 YYYZ= -0.0004 ZZZX= 0.3728 ZZZY= 0.0029 XXYY= -253.5463 XXZZ= -216.4300 YYZZ= -137.9499 XXYZ= -0.0025 YYXZ= -3.5029 ZZXY= -0.0011 N-N= 6.604945224974D+02 E-N=-2.486043094328D+03 KE= 4.958095376720D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.170434 29.026860 2 O -19.170425 29.026937 3 O -10.293252 15.889667 4 O -10.241239 15.882509 5 O -10.240711 15.893947 6 O -10.188200 15.891570 7 O -10.188175 15.884916 8 O -10.180505 15.882655 9 O -10.180308 15.889292 10 O -10.166794 15.876190 11 O -10.166282 15.886106 12 O -1.088075 2.283550 13 O -0.999382 2.767637 14 O -0.835081 1.394710 15 O -0.760562 1.677561 16 O -0.734135 1.497473 17 O -0.732312 1.513682 18 O -0.641314 1.900765 19 O -0.612376 1.610885 20 O -0.599429 1.542365 21 O -0.587121 1.401531 22 O -0.527544 1.247153 23 O -0.511452 1.103920 24 O -0.493561 1.049519 25 O -0.470950 1.359541 26 O -0.443155 1.027811 27 O -0.442929 1.608596 28 O -0.434990 1.689995 29 O -0.406475 1.392584 30 O -0.399565 1.219068 31 O -0.388389 1.811950 32 O -0.385875 1.223291 33 O -0.372179 1.422747 34 O -0.355786 1.384943 35 O -0.347154 2.474048 36 O -0.324461 1.482190 37 O -0.317520 1.405692 38 O -0.313646 1.774096 39 O -0.279435 1.502734 40 O -0.202594 1.352069 41 O -0.183880 1.752014 42 V 0.000727 1.510751 43 V 0.017749 1.637693 44 V 0.080536 0.954766 45 V 0.107046 1.041270 46 V 0.113927 1.991229 47 V 0.120991 0.961878 48 V 0.125973 1.514193 49 V 0.132779 1.334240 50 V 0.144514 1.273997 51 V 0.146389 1.254196 52 V 0.164473 1.924622 53 V 0.168398 1.646725 54 V 0.175846 1.299134 55 V 0.191579 1.262876 56 V 0.192292 1.997890 57 V 0.203078 1.233125 58 V 0.228763 1.228930 59 V 0.235377 1.167293 60 V 0.242940 1.427149 61 V 0.252972 1.464704 62 V 0.309579 1.689254 63 V 0.313853 1.508026 64 V 0.327893 1.919281 65 V 0.358497 2.545190 66 V 0.437478 1.981521 67 V 0.471549 1.808765 68 V 0.475919 1.813645 69 V 0.493245 1.677228 70 V 0.513321 2.067580 71 V 0.522683 1.954588 72 V 0.542359 2.476076 73 V 0.544420 1.920938 74 V 0.552829 1.951797 75 V 0.561822 2.276969 76 V 0.574675 2.142302 77 V 0.605499 2.269705 78 V 0.618998 1.980531 79 V 0.636772 1.989859 80 V 0.646222 2.490603 81 V 0.677816 2.473480 82 V 0.688274 2.500702 83 V 0.708616 2.479200 84 V 0.722635 2.480963 85 V 0.745063 2.569223 86 V 0.771351 2.526623 87 V 0.778578 2.228462 88 V 0.801061 2.668546 89 V 0.807663 2.458944 90 V 0.816147 2.575403 91 V 0.834049 2.514408 92 V 0.850856 2.703753 93 V 0.851672 2.261020 94 V 0.856991 2.778687 95 V 0.881762 2.806112 96 V 0.882714 2.626999 97 V 0.888649 2.727648 98 V 0.893912 2.460802 99 V 0.896008 2.577730 100 V 0.913997 2.683348 101 V 0.924715 2.584008 102 V 0.941921 2.582413 103 V 0.952611 2.695621 104 V 1.007920 2.239694 105 V 1.014828 2.431988 106 V 1.026750 2.835783 107 V 1.038013 2.336762 108 V 1.097710 3.176026 109 V 1.098691 2.941534 110 V 1.129617 2.461341 111 V 1.187443 2.701548 112 V 1.188667 3.037250 113 V 1.223272 2.411573 114 V 1.236778 2.496357 115 V 1.281803 2.619763 116 V 1.292318 2.575641 117 V 1.378420 2.658508 118 V 1.379622 2.833308 119 V 1.428296 2.612403 120 V 1.444480 2.590148 121 V 1.451036 2.633011 122 V 1.482601 2.611948 123 V 1.502810 2.854336 124 V 1.518734 2.815031 125 V 1.531064 2.760498 126 V 1.622107 2.793467 127 V 1.647076 2.764995 128 V 1.665569 2.877707 129 V 1.713870 2.911168 130 V 1.736642 2.905679 131 V 1.771998 2.929534 132 V 1.775578 3.074911 133 V 1.795628 3.099233 134 V 1.855928 3.224018 135 V 1.862807 3.107664 136 V 1.899415 3.317385 137 V 1.915601 3.229672 138 V 1.931459 3.860386 139 V 1.969221 3.391391 140 V 1.987796 3.402619 141 V 1.993951 3.617365 142 V 2.005360 3.415433 143 V 2.027572 3.666227 144 V 2.032422 3.533189 145 V 2.057482 3.452203 146 V 2.104206 3.471010 147 V 2.128635 3.540833 148 V 2.158747 3.709485 149 V 2.163830 3.696039 150 V 2.218034 3.479205 151 V 2.240119 3.497957 152 V 2.258264 3.596307 153 V 2.270190 3.522949 154 V 2.304376 3.965368 155 V 2.314267 3.629641 156 V 2.320752 3.612387 157 V 2.385439 3.744586 158 V 2.409837 3.825996 159 V 2.411508 3.714479 160 V 2.445127 3.898542 161 V 2.457684 3.856352 162 V 2.484114 3.901121 163 V 2.525457 3.951525 164 V 2.547625 4.029977 165 V 2.595629 4.300153 166 V 2.629209 4.423028 167 V 2.673318 4.227668 168 V 2.691281 4.250865 169 V 2.698566 4.367735 170 V 2.704142 4.335459 171 V 2.737037 4.261372 172 V 2.756548 4.301660 173 V 2.834020 4.415796 174 V 2.849206 4.641354 175 V 2.859953 4.635452 176 V 2.945395 4.770583 177 V 3.118538 4.888222 178 V 3.142397 4.867391 179 V 4.014571 10.856373 180 V 4.145402 10.684771 181 V 4.149626 10.153390 182 V 4.251753 10.325640 183 V 4.276317 10.302802 184 V 4.373837 10.564954 185 V 4.412380 10.414712 186 V 4.467990 10.422203 187 V 4.512079 10.458710 188 V 4.677926 10.784301 189 V 4.941011 11.865107 Total kinetic energy from orbitals= 4.958095376720D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 194.522 0.004 175.145 -1.192 0.002 128.425 Calling FoFJK, ICntrl= 100147 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.019803248 -0.001094777 -0.007024181 2 1 -0.004466869 0.000258269 0.000201765 3 6 -0.018763109 -0.018688441 0.000431889 4 1 0.000354473 0.000821956 -0.002243495 5 6 -0.018768258 0.018683772 0.000431510 6 1 0.000353694 -0.000822648 -0.002245030 7 6 0.019801498 0.001095933 -0.007029084 8 1 -0.004468761 -0.000257181 0.000202009 9 6 0.000895883 -0.008982242 0.012541197 10 1 0.004646946 0.001710546 -0.004547729 11 1 -0.008485954 0.000238646 -0.003087557 12 6 0.000901742 0.008986138 0.012537814 13 1 -0.008489512 -0.000239335 -0.003086060 14 1 0.004643599 -0.001712479 -0.004546574 15 6 0.001348812 0.021249998 0.022362804 16 1 0.003593732 -0.005366037 -0.009562409 17 6 0.001347310 -0.021246902 0.022368232 18 1 0.003593211 0.005365544 -0.009559972 19 8 0.007535643 -0.017441189 -0.001531443 20 8 0.007537020 0.017442760 -0.001535251 21 6 -0.021043717 -0.000004110 -0.021549064 22 1 0.000676831 0.000001418 0.008317196 23 1 0.007452539 0.000000360 -0.001846569 ------------------------------------------------------------------- Cartesian Forces: Max 0.022368232 RMS 0.010077396 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.015321036 RMS 0.003644927 Search for a saddle point. Step number 1 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.04347 0.00052 0.00057 0.00209 0.00370 Eigenvalues --- 0.00736 0.01351 0.01369 0.01494 0.01591 Eigenvalues --- 0.01864 0.01977 0.02291 0.02366 0.02510 Eigenvalues --- 0.02913 0.03108 0.03317 0.03321 0.03726 Eigenvalues --- 0.04193 0.04291 0.04731 0.05019 0.05281 Eigenvalues --- 0.05302 0.05453 0.05786 0.06217 0.06466 Eigenvalues --- 0.08244 0.08438 0.08849 0.09479 0.11215 Eigenvalues --- 0.11795 0.12189 0.12733 0.15494 0.16233 Eigenvalues --- 0.16925 0.18888 0.23095 0.23915 0.25540 Eigenvalues --- 0.26083 0.27579 0.28273 0.29851 0.30386 Eigenvalues --- 0.31019 0.32082 0.33255 0.33973 0.35163 Eigenvalues --- 0.35183 0.36042 0.36146 0.38802 0.38926 Eigenvalues --- 0.40717 0.40996 0.43346 Eigenvectors required to have negative eigenvalues: R11 R4 D77 D79 D86 1 0.55209 0.55201 0.18644 -0.18644 0.13883 D82 R20 D73 D75 D33 1 -0.13881 -0.13839 -0.11768 0.11766 -0.11477 RFO step: Lambda0=4.431094600D-03 Lambda=-1.42259614D-02. Linear search not attempted -- option 19 set. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.696 Iteration 1 RMS(Cart)= 0.03191254 RMS(Int)= 0.00050431 Iteration 2 RMS(Cart)= 0.00052616 RMS(Int)= 0.00021439 Iteration 3 RMS(Cart)= 0.00000018 RMS(Int)= 0.00021439 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05900 -0.00042 0.00000 -0.00085 -0.00085 2.05815 R2 2.62796 0.01532 0.00000 -0.00358 -0.00382 2.62414 R3 2.84863 0.00304 0.00000 0.00834 0.00847 2.85709 R4 4.05272 0.00080 0.00000 0.17509 0.17525 4.22797 R5 2.05101 0.00172 0.00000 0.00359 0.00359 2.05460 R6 2.65760 -0.01366 0.00000 -0.00168 -0.00220 2.65539 R7 2.05100 0.00172 0.00000 0.00359 0.00359 2.05460 R8 2.62798 0.01532 0.00000 -0.00358 -0.00383 2.62415 R9 2.05901 -0.00042 0.00000 -0.00086 -0.00086 2.05815 R10 2.84865 0.00304 0.00000 0.00834 0.00846 2.85711 R11 4.05227 0.00079 0.00000 0.17511 0.17528 4.22755 R12 2.09784 -0.00670 0.00000 -0.01456 -0.01456 2.08327 R13 2.09494 -0.00749 0.00000 -0.01618 -0.01603 2.07891 R14 2.91199 0.00339 0.00000 0.02077 0.02070 2.93269 R15 4.29214 0.00203 0.00000 0.05764 0.05770 4.34984 R16 2.09495 -0.00749 0.00000 -0.01619 -0.01604 2.07892 R17 2.09783 -0.00669 0.00000 -0.01456 -0.01456 2.08327 R18 4.29200 0.00203 0.00000 0.05765 0.05772 4.34972 R19 2.02848 0.00229 0.00000 0.00378 0.00378 2.03226 R20 2.64720 0.00407 0.00000 -0.01754 -0.01699 2.63021 R21 2.66901 -0.00857 0.00000 -0.02611 -0.02631 2.64270 R22 2.02849 0.00228 0.00000 0.00377 0.00377 2.03227 R23 2.66904 -0.00857 0.00000 -0.02612 -0.02631 2.64272 R24 2.74456 -0.01321 0.00000 -0.03745 -0.03750 2.70706 R25 2.74454 -0.01321 0.00000 -0.03745 -0.03750 2.70704 R26 2.07529 -0.00199 0.00000 0.00038 0.00038 2.07567 R27 2.07410 -0.00233 0.00000 -0.00114 -0.00141 2.07268 A1 2.10636 -0.00134 0.00000 -0.01238 -0.01279 2.09356 A2 2.00367 0.00024 0.00000 0.01006 0.01001 2.01368 A3 1.71096 0.00004 0.00000 0.00501 0.00551 1.71648 A4 2.09769 -0.00051 0.00000 0.00062 0.00112 2.09882 A5 1.66898 0.00668 0.00000 0.03130 0.03107 1.70005 A6 1.69699 -0.00309 0.00000 -0.03396 -0.03402 1.66297 A7 2.11454 -0.00009 0.00000 -0.00849 -0.00857 2.10597 A8 2.05851 -0.00022 0.00000 0.00588 0.00565 2.06416 A9 2.09698 -0.00005 0.00000 -0.00221 -0.00236 2.09462 A10 2.09699 -0.00005 0.00000 -0.00221 -0.00237 2.09463 A11 2.05848 -0.00022 0.00000 0.00588 0.00565 2.06413 A12 2.11456 -0.00009 0.00000 -0.00848 -0.00857 2.10599 A13 2.10636 -0.00134 0.00000 -0.01238 -0.01280 2.09357 A14 2.09763 -0.00051 0.00000 0.00063 0.00113 2.09876 A15 1.66904 0.00669 0.00000 0.03130 0.03107 1.70011 A16 2.00366 0.00024 0.00000 0.01006 0.01001 2.01367 A17 1.71092 0.00004 0.00000 0.00501 0.00551 1.71643 A18 1.69716 -0.00309 0.00000 -0.03397 -0.03403 1.66312 A19 1.88375 0.00038 0.00000 -0.00510 -0.00514 1.87862 A20 1.91819 -0.00015 0.00000 0.00339 0.00378 1.92197 A21 1.96887 -0.00115 0.00000 -0.00094 -0.00131 1.96757 A22 1.84595 -0.00035 0.00000 -0.00170 -0.00182 1.84413 A23 1.91230 0.00039 0.00000 -0.00331 -0.00303 1.90927 A24 1.93013 0.00093 0.00000 0.00724 0.00706 1.93719 A25 2.14665 -0.00067 0.00000 0.00470 0.00484 2.15149 A26 1.96886 -0.00116 0.00000 -0.00094 -0.00131 1.96755 A27 1.91817 -0.00015 0.00000 0.00339 0.00378 1.92195 A28 1.88379 0.00038 0.00000 -0.00510 -0.00514 1.87865 A29 1.93013 0.00093 0.00000 0.00725 0.00707 1.93720 A30 1.91231 0.00039 0.00000 -0.00332 -0.00303 1.90928 A31 1.84594 -0.00035 0.00000 -0.00170 -0.00182 1.84412 A32 2.14675 -0.00067 0.00000 0.00469 0.00483 2.15158 A33 1.53283 0.00303 0.00000 0.00500 0.00433 1.53717 A34 1.88086 -0.00063 0.00000 -0.00869 -0.00863 1.87223 A35 1.79122 0.00538 0.00000 0.01993 0.01978 1.81100 A36 2.30123 -0.00511 0.00000 -0.03762 -0.03741 2.26382 A37 1.94097 0.00391 0.00000 0.03389 0.03379 1.97476 A38 1.90599 -0.00242 0.00000 -0.00154 -0.00170 1.90429 A39 1.88094 -0.00063 0.00000 -0.00869 -0.00863 1.87231 A40 1.53299 0.00303 0.00000 0.00497 0.00431 1.53729 A41 1.79118 0.00538 0.00000 0.01994 0.01979 1.81097 A42 2.30116 -0.00511 0.00000 -0.03761 -0.03740 2.26375 A43 1.90597 -0.00242 0.00000 -0.00154 -0.00170 1.90428 A44 1.94094 0.00391 0.00000 0.03389 0.03380 1.97473 A45 1.87453 0.00011 0.00000 -0.00453 -0.00453 1.87000 A46 1.87453 0.00011 0.00000 -0.00452 -0.00452 1.87001 A47 1.86179 0.00452 0.00000 0.01074 0.01080 1.87259 A48 1.88854 0.00115 0.00000 0.01768 0.01732 1.90586 A49 1.89788 -0.00031 0.00000 0.00782 0.00758 1.90545 A50 1.88855 0.00115 0.00000 0.01768 0.01732 1.90587 A51 1.89788 -0.00031 0.00000 0.00782 0.00758 1.90546 A52 2.02283 -0.00537 0.00000 -0.05675 -0.05655 1.96628 A53 1.07239 -0.00008 0.00000 -0.00571 -0.00590 1.06649 A54 1.81202 -0.00010 0.00000 -0.00099 -0.00101 1.81101 A55 1.81191 -0.00010 0.00000 -0.00099 -0.00100 1.81090 D1 -0.01396 0.00297 0.00000 0.04318 0.04305 0.02909 D2 2.95427 0.00061 0.00000 0.01160 0.01130 2.96558 D3 2.69902 -0.00134 0.00000 0.04103 0.04101 2.74003 D4 -0.61593 -0.00369 0.00000 0.00944 0.00926 -0.60666 D5 -1.80831 -0.00098 0.00000 0.02041 0.02027 -1.78805 D6 1.15992 -0.00333 0.00000 -0.01118 -0.01148 1.14844 D7 -2.95963 -0.00120 0.00000 -0.01836 -0.01821 -2.97784 D8 -0.79691 -0.00093 0.00000 -0.00706 -0.00708 -0.80399 D9 1.20828 -0.00122 0.00000 -0.01009 -0.01009 1.19820 D10 0.58665 0.00322 0.00000 -0.01121 -0.01102 0.57563 D11 2.74937 0.00349 0.00000 0.00010 0.00011 2.74948 D12 -1.52862 0.00320 0.00000 -0.00294 -0.00290 -1.53152 D13 -1.17341 -0.00265 0.00000 -0.02740 -0.02697 -1.20038 D14 0.98931 -0.00238 0.00000 -0.01610 -0.01584 0.97347 D15 2.99451 -0.00267 0.00000 -0.01913 -0.01885 2.97566 D16 -0.81750 -0.00211 0.00000 -0.01880 -0.01892 -0.83642 D17 3.13486 0.00234 0.00000 0.02199 0.02168 -3.12664 D18 1.12425 0.00284 0.00000 0.01802 0.01802 1.14227 D19 1.31399 -0.00195 0.00000 -0.02338 -0.02344 1.29055 D20 -1.01683 0.00249 0.00000 0.01742 0.01717 -0.99967 D21 -3.02745 0.00299 0.00000 0.01345 0.01350 -3.01395 D22 -2.84940 -0.00168 0.00000 -0.02275 -0.02296 -2.87236 D23 1.10297 0.00276 0.00000 0.01804 0.01765 1.12061 D24 -0.90765 0.00326 0.00000 0.01407 0.01398 -0.89367 D25 -2.97006 0.00234 0.00000 0.03192 0.03219 -2.93786 D26 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00002 D27 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 D28 2.97003 -0.00234 0.00000 -0.03191 -0.03218 2.93785 D29 -2.95435 -0.00061 0.00000 -0.01158 -0.01129 -2.96564 D30 0.61605 0.00369 0.00000 -0.00945 -0.00927 0.60678 D31 -1.16002 0.00333 0.00000 0.01119 0.01149 -1.14853 D32 0.01387 -0.00297 0.00000 -0.04317 -0.04304 -0.02917 D33 -2.69891 0.00133 0.00000 -0.04104 -0.04103 -2.73994 D34 1.80820 0.00098 0.00000 -0.02041 -0.02026 1.78794 D35 1.52828 -0.00320 0.00000 0.00296 0.00292 1.53120 D36 -2.74970 -0.00349 0.00000 -0.00008 -0.00009 -2.74979 D37 -0.58696 -0.00322 0.00000 0.01122 0.01104 -0.57592 D38 -1.20844 0.00122 0.00000 0.01010 0.01010 -1.19835 D39 0.79676 0.00094 0.00000 0.00706 0.00708 0.80385 D40 2.95951 0.00120 0.00000 0.01836 0.01821 2.97772 D41 -2.99470 0.00267 0.00000 0.01915 0.01887 -2.97583 D42 -0.98949 0.00238 0.00000 0.01611 0.01586 -0.97363 D43 1.17325 0.00265 0.00000 0.02741 0.02698 1.20024 D44 1.01693 -0.00249 0.00000 -0.01742 -0.01717 0.99976 D45 -1.31389 0.00195 0.00000 0.02337 0.02343 -1.29046 D46 3.02755 -0.00299 0.00000 -0.01345 -0.01351 3.01404 D47 -3.13476 -0.00234 0.00000 -0.02200 -0.02169 3.12674 D48 0.81761 0.00211 0.00000 0.01879 0.01891 0.83652 D49 -1.12414 -0.00284 0.00000 -0.01803 -0.01803 -1.14217 D50 -1.10284 -0.00276 0.00000 -0.01805 -0.01766 -1.12050 D51 2.84952 0.00168 0.00000 0.02274 0.02295 2.87247 D52 0.90777 -0.00326 0.00000 -0.01408 -0.01399 0.89378 D53 1.72169 -0.00041 0.00000 0.02539 0.02541 1.74710 D54 -2.53237 -0.00023 0.00000 0.02016 0.02025 -2.51212 D55 -0.46344 0.00052 0.00000 0.01904 0.01929 -0.44415 D56 0.00019 0.00000 0.00000 -0.00001 -0.00001 0.00018 D57 -2.15592 0.00034 0.00000 -0.00922 -0.00937 -2.16529 D58 2.09917 -0.00001 0.00000 -0.00940 -0.00945 2.08972 D59 -2.09875 0.00001 0.00000 0.00938 0.00942 -2.08932 D60 2.02833 0.00035 0.00000 0.00017 0.00006 2.02839 D61 0.00024 0.00000 0.00000 -0.00001 -0.00001 0.00022 D62 2.15634 -0.00034 0.00000 0.00920 0.00935 2.16568 D63 0.00022 0.00000 0.00000 -0.00001 -0.00001 0.00021 D64 -2.02787 -0.00035 0.00000 -0.00019 -0.00009 -2.02796 D65 0.50831 -0.00079 0.00000 -0.02368 -0.02382 0.48449 D66 -1.20908 -0.00071 0.00000 -0.02210 -0.02220 -1.23128 D67 -1.72198 0.00041 0.00000 -0.02537 -0.02539 -1.74737 D68 0.46312 -0.00052 0.00000 -0.01902 -0.01928 0.44384 D69 2.53206 0.00023 0.00000 -0.02015 -0.02024 2.51182 D70 -0.50817 0.00079 0.00000 0.02368 0.02382 -0.48436 D71 1.20941 0.00071 0.00000 0.02209 0.02218 1.23159 D72 -0.00005 0.00000 0.00000 0.00001 0.00001 -0.00004 D73 1.80666 0.00098 0.00000 -0.02195 -0.02164 1.78502 D74 -1.93346 -0.00478 0.00000 -0.01811 -0.01786 -1.95132 D75 -1.80650 -0.00098 0.00000 0.02193 0.02162 -1.78488 D76 0.00021 0.00000 0.00000 -0.00003 -0.00003 0.00018 D77 2.54328 -0.00576 0.00000 0.00381 0.00375 2.54702 D78 1.93337 0.00478 0.00000 0.01812 0.01787 1.95123 D79 -2.54311 0.00576 0.00000 -0.00384 -0.00378 -2.54689 D80 -0.00004 0.00000 0.00000 0.00000 0.00000 -0.00004 D81 1.95632 0.00008 0.00000 -0.01350 -0.01347 1.94286 D82 -2.71082 0.00651 0.00000 0.00814 0.00839 -2.70243 D83 -0.03601 -0.00082 0.00000 -0.01265 -0.01256 -0.04857 D84 -1.95632 -0.00008 0.00000 0.01349 0.01346 -1.94286 D85 0.03608 0.00082 0.00000 0.01265 0.01256 0.04864 D86 2.71068 -0.00651 0.00000 -0.00812 -0.00837 2.70230 D87 0.05701 0.00152 0.00000 0.02047 0.02051 0.07751 D88 2.08544 0.00575 0.00000 0.05534 0.05565 2.14109 D89 -1.98703 -0.00038 0.00000 0.00158 0.00167 -1.98536 D90 -0.05703 -0.00152 0.00000 -0.02047 -0.02051 -0.07754 D91 -2.08546 -0.00575 0.00000 -0.05533 -0.05565 -2.14111 D92 1.98700 0.00038 0.00000 -0.00158 -0.00167 1.98533 D93 1.56442 0.00246 0.00000 0.00747 0.00742 1.57184 D94 0.45641 0.00257 0.00000 0.01372 0.01387 0.47028 D95 -0.45646 -0.00257 0.00000 -0.01372 -0.01386 -0.47032 D96 -1.56446 -0.00246 0.00000 -0.00747 -0.00742 -1.57188 D97 -2.58762 -0.00006 0.00000 -0.00312 -0.00322 -2.59084 D98 2.58757 0.00006 0.00000 0.00313 0.00322 2.59079 Item Value Threshold Converged? Maximum Force 0.015321 0.000450 NO RMS Force 0.003645 0.000300 NO Maximum Displacement 0.121705 0.001800 NO RMS Displacement 0.031915 0.001200 NO Predicted change in Energy=-4.922559D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.135299 1.360215 0.107624 2 1 0 -0.999408 2.436029 0.005865 3 6 0 -2.072597 0.702411 -0.677913 4 1 0 -2.656921 1.246117 -1.416194 5 6 0 -2.072483 -0.702763 -0.677758 6 1 0 -2.656711 -1.246734 -1.415916 7 6 0 -1.135043 -1.360210 0.107922 8 1 0 -0.998994 -2.436033 0.006462 9 6 0 -0.709893 -0.775758 1.435912 10 1 0 -1.412807 -1.141715 2.202280 11 1 0 0.275803 -1.169829 1.724633 12 6 0 -0.709905 0.776154 1.435699 13 1 0 0.275847 1.170325 1.724102 14 1 0 -1.412653 1.142317 2.202119 15 6 0 0.689452 0.695820 -1.003493 16 1 0 0.419063 1.382768 -1.785497 17 6 0 0.689445 -0.696026 -1.003308 18 1 0 0.419173 -1.383131 -1.785222 19 8 0 1.746710 1.153705 -0.210886 20 8 0 1.746750 -1.153691 -0.210612 21 6 0 2.384167 0.000081 0.350266 22 1 0 3.445354 0.000069 0.066795 23 1 0 2.237140 0.000209 1.437183 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089126 0.000000 3 C 1.388633 2.150515 0.000000 4 H 2.156473 2.487064 1.087249 0.000000 5 C 2.398128 3.386863 1.405174 2.164484 0.000000 6 H 3.381133 4.281455 2.164488 2.492851 1.087247 7 C 2.720426 3.800032 2.398114 3.381122 1.388641 8 H 3.800041 4.872062 3.386860 4.281460 2.150525 9 C 2.551020 3.527666 2.917225 4.001676 2.515866 10 H 3.274790 4.218457 3.483049 4.510312 2.987050 11 H 3.317688 4.193154 3.846101 4.929753 3.391767 12 C 1.511910 2.209846 2.515894 3.484972 2.917279 13 H 2.154157 2.486086 3.391727 4.297480 3.846042 14 H 2.123985 2.582245 2.987244 3.827684 3.483301 15 C 2.237346 2.626667 2.781179 3.416337 3.112944 16 H 2.449583 2.516028 2.810337 3.101086 3.432831 17 C 2.965129 3.698705 3.112938 3.891087 2.781056 18 H 3.677662 4.450432 3.432861 4.063432 2.810289 19 O 2.906900 3.038503 3.874130 4.566538 4.272081 20 O 3.837604 4.524857 4.272107 5.157986 3.874029 21 C 3.780937 4.183424 4.627436 5.485030 4.627370 22 H 4.778498 5.068878 5.612099 6.402316 5.612028 23 H 3.871781 4.296177 4.851860 5.800507 4.851803 6 7 8 9 10 6 H 0.000000 7 C 2.156487 0.000000 8 H 2.487090 1.089127 0.000000 9 C 3.484946 1.511918 2.209846 0.000000 10 H 3.827489 2.123965 2.582269 1.102421 0.000000 11 H 4.297512 2.154179 2.486060 1.100113 1.755090 12 C 4.001730 2.551037 3.527667 1.551912 2.181728 13 H 4.929685 3.317568 4.193009 2.200449 2.902711 14 H 4.510591 3.274962 4.218603 2.181733 2.284032 15 C 3.891069 2.965010 3.698562 3.174020 4.251235 16 H 4.063405 3.677528 4.450309 4.038719 5.062719 17 C 3.416180 2.237125 2.626421 2.813236 3.859260 18 H 3.100976 2.449511 2.515936 3.466900 4.394838 19 O 5.157938 3.837435 4.524638 3.531242 4.590737 20 O 4.566387 2.906690 3.038196 2.981438 3.975549 21 C 5.484925 3.780736 4.183137 3.369534 4.376147 22 H 6.402199 4.778294 5.068576 4.443250 5.428231 23 H 5.800416 3.871601 4.295905 3.047479 3.900189 11 12 13 14 15 11 H 0.000000 12 C 2.200444 0.000000 13 H 2.340154 1.100115 0.000000 14 H 2.902568 1.102420 1.755083 0.000000 15 C 3.330829 2.813238 2.799285 3.859294 0.000000 16 H 4.342498 3.466793 3.518939 4.394779 1.075425 17 C 2.799509 3.173996 3.330630 4.251245 1.391846 18 H 3.519252 4.038769 4.342353 5.062841 2.237451 19 O 3.362828 2.981399 2.430616 3.975462 1.398456 20 O 2.430868 3.531260 3.362696 4.590725 2.273154 21 C 2.775387 3.369531 2.775232 4.376061 2.277888 22 H 3.763395 4.443240 3.763236 5.428128 3.037200 23 H 2.301838 3.047485 2.301774 3.900067 2.972560 16 17 18 19 20 16 H 0.000000 17 C 2.237479 0.000000 18 H 2.765899 1.075430 0.000000 19 O 2.072321 2.273157 3.267479 0.000000 20 O 3.267513 1.398470 2.072318 2.307395 0.000000 21 C 3.214801 2.277896 3.214776 1.432512 1.432506 22 H 3.808055 3.037220 3.808015 2.072046 2.072045 23 H 3.950006 2.972558 3.950004 2.070557 2.070555 21 22 23 21 C 0.000000 22 H 1.098396 0.000000 23 H 1.096817 1.826950 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.142201 -1.360219 0.090645 2 1 0 1.004854 -2.436032 -0.009137 3 6 0 2.068085 -0.702425 -0.708321 4 1 0 2.641708 -1.246139 -1.454941 5 6 0 2.067980 0.702749 -0.708176 6 1 0 2.641513 1.246712 -1.454680 7 6 0 1.141961 1.360207 0.090925 8 1 0 1.004469 2.436029 -0.008572 9 6 0 0.735988 0.775767 1.424908 10 1 0 1.449873 1.141727 2.181065 11 1 0 -0.245444 1.169845 1.727800 12 6 0 0.735990 -0.776145 1.424707 13 1 0 -0.245505 -1.170310 1.727288 14 1 0 1.449708 -1.142306 2.180925 15 6 0 -0.698368 -0.695824 -0.994068 16 1 0 -0.439278 -1.382780 -1.779882 17 6 0 -0.698353 0.696022 -0.993894 18 1 0 -0.439372 1.383119 -1.779627 19 8 0 -1.744097 -1.153698 -0.186306 20 8 0 -1.744124 1.153697 -0.186050 21 6 0 -2.373398 -0.000067 0.383964 22 1 0 -3.438559 -0.000053 0.115814 23 1 0 -2.210724 -0.000187 1.468650 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9063466 1.0592326 0.9899764 Standard basis: 6-31G(d) (6D, 7F) There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 656.3025640922 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 8.95D-04 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999981 0.000004 -0.006238 0.000002 Ang= 0.71 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.486812217 A.U. after 13 cycles NFock= 13 Conv=0.28D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.008644032 -0.000587027 -0.003669211 2 1 -0.002388266 0.000226571 0.000482154 3 6 -0.008260787 -0.006050428 0.001197699 4 1 0.000582773 0.000240224 -0.001146702 5 6 -0.008262587 0.006049187 0.001197851 6 1 0.000582644 -0.000240406 -0.001147390 7 6 0.008642722 0.000587023 -0.003670726 8 1 -0.002389226 -0.000226278 0.000482161 9 6 -0.000204290 -0.002876414 0.004857165 10 1 0.001506477 0.000582074 -0.001408743 11 1 -0.003325809 -0.000541339 -0.001798099 12 6 -0.000202443 0.002878018 0.004855991 13 1 -0.003327498 0.000540869 -0.001796922 14 1 0.001504867 -0.000582961 -0.001408752 15 6 -0.000815886 0.009563659 0.009118013 16 1 0.001635521 -0.002791837 -0.004253853 17 6 -0.000814650 -0.009562025 0.009120338 18 1 0.001634418 0.002791177 -0.004252748 19 8 0.004062434 -0.005744607 -0.001400794 20 8 0.004063276 0.005745094 -0.001402010 21 6 -0.007250277 -0.000001653 -0.007834092 22 1 0.000425685 0.000000588 0.003741930 23 1 0.003956869 0.000000489 0.000136739 ------------------------------------------------------------------- Cartesian Forces: Max 0.009563659 RMS 0.004103033 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005754791 RMS 0.001409140 Search for a saddle point. Step number 2 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 1 2 ITU= 0 0 Eigenvalues --- -0.04204 0.00052 0.00057 0.00209 0.00370 Eigenvalues --- 0.00737 0.01363 0.01369 0.01493 0.01583 Eigenvalues --- 0.01828 0.01977 0.02291 0.02359 0.02510 Eigenvalues --- 0.02908 0.03108 0.03316 0.03320 0.03726 Eigenvalues --- 0.04171 0.04290 0.04730 0.05029 0.05279 Eigenvalues --- 0.05302 0.05452 0.05632 0.06218 0.06465 Eigenvalues --- 0.08241 0.08399 0.08866 0.09430 0.11209 Eigenvalues --- 0.11789 0.12182 0.12728 0.15491 0.16237 Eigenvalues --- 0.16922 0.18900 0.23092 0.23912 0.25534 Eigenvalues --- 0.26074 0.27577 0.28269 0.29837 0.30386 Eigenvalues --- 0.31002 0.32081 0.33288 0.33984 0.35163 Eigenvalues --- 0.35184 0.36042 0.36146 0.38802 0.38924 Eigenvalues --- 0.40714 0.40995 0.43289 Eigenvectors required to have negative eigenvalues: R11 R4 D77 D79 D86 1 0.55581 0.55573 0.18266 -0.18265 0.14312 D82 R20 D73 D75 D33 1 -0.14311 -0.13455 -0.11440 0.11439 -0.11014 RFO step: Lambda0=7.664312239D-04 Lambda=-3.69118616D-03. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.02752610 RMS(Int)= 0.00035372 Iteration 2 RMS(Cart)= 0.00034749 RMS(Int)= 0.00016665 Iteration 3 RMS(Cart)= 0.00000005 RMS(Int)= 0.00016665 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05815 -0.00012 0.00000 -0.00020 -0.00020 2.05795 R2 2.62414 0.00575 0.00000 -0.00474 -0.00487 2.61927 R3 2.85709 0.00125 0.00000 0.00509 0.00513 2.86223 R4 4.22797 0.00084 0.00000 0.12827 0.12841 4.35638 R5 2.05460 0.00059 0.00000 0.00191 0.00191 2.05651 R6 2.65539 -0.00454 0.00000 0.00382 0.00355 2.65895 R7 2.05460 0.00059 0.00000 0.00191 0.00191 2.05651 R8 2.62415 0.00575 0.00000 -0.00475 -0.00488 2.61927 R9 2.05815 -0.00012 0.00000 -0.00021 -0.00021 2.05795 R10 2.85711 0.00125 0.00000 0.00508 0.00513 2.86224 R11 4.22755 0.00084 0.00000 0.12841 0.12855 4.35610 R12 2.08327 -0.00213 0.00000 -0.00674 -0.00674 2.07653 R13 2.07891 -0.00230 0.00000 -0.00846 -0.00846 2.07045 R14 2.93269 0.00133 0.00000 0.01206 0.01198 2.94467 R15 4.34984 0.00153 0.00000 0.07383 0.07383 4.42367 R16 2.07892 -0.00230 0.00000 -0.00846 -0.00846 2.07045 R17 2.08327 -0.00213 0.00000 -0.00674 -0.00674 2.07653 R18 4.34972 0.00153 0.00000 0.07386 0.07386 4.42358 R19 2.03226 0.00090 0.00000 0.00291 0.00291 2.03517 R20 2.63021 0.00241 0.00000 -0.00817 -0.00775 2.62246 R21 2.64270 -0.00220 0.00000 -0.01145 -0.01145 2.63125 R22 2.03227 0.00090 0.00000 0.00290 0.00290 2.03517 R23 2.64272 -0.00220 0.00000 -0.01147 -0.01146 2.63126 R24 2.70706 -0.00401 0.00000 -0.01495 -0.01506 2.69200 R25 2.70704 -0.00401 0.00000 -0.01494 -0.01506 2.69199 R26 2.07567 -0.00055 0.00000 0.00031 0.00031 2.07598 R27 2.07268 -0.00059 0.00000 0.00197 0.00182 2.07451 A1 2.09356 -0.00069 0.00000 -0.01168 -0.01211 2.08145 A2 2.01368 0.00020 0.00000 0.00482 0.00492 2.01861 A3 1.71648 0.00018 0.00000 0.01633 0.01656 1.73304 A4 2.09882 -0.00030 0.00000 0.00092 0.00116 2.09998 A5 1.70005 0.00292 0.00000 0.02262 0.02249 1.72255 A6 1.66297 -0.00130 0.00000 -0.02531 -0.02527 1.63770 A7 2.10597 -0.00008 0.00000 -0.00659 -0.00681 2.09916 A8 2.06416 -0.00015 0.00000 0.00345 0.00333 2.06749 A9 2.09462 0.00001 0.00000 -0.00354 -0.00382 2.09080 A10 2.09463 0.00001 0.00000 -0.00354 -0.00382 2.09081 A11 2.06413 -0.00015 0.00000 0.00346 0.00334 2.06747 A12 2.10599 -0.00008 0.00000 -0.00659 -0.00682 2.09917 A13 2.09357 -0.00069 0.00000 -0.01168 -0.01211 2.08146 A14 2.09876 -0.00030 0.00000 0.00094 0.00118 2.09994 A15 1.70011 0.00292 0.00000 0.02260 0.02247 1.72259 A16 2.01367 0.00020 0.00000 0.00483 0.00493 2.01860 A17 1.71643 0.00018 0.00000 0.01633 0.01656 1.73299 A18 1.66312 -0.00130 0.00000 -0.02535 -0.02531 1.63781 A19 1.87862 0.00009 0.00000 -0.00033 -0.00037 1.87825 A20 1.92197 -0.00001 0.00000 -0.00740 -0.00715 1.91482 A21 1.96757 -0.00039 0.00000 -0.00013 -0.00031 1.96726 A22 1.84413 -0.00013 0.00000 -0.00039 -0.00045 1.84367 A23 1.90927 0.00015 0.00000 -0.00234 -0.00217 1.90710 A24 1.93719 0.00030 0.00000 0.01026 0.01013 1.94732 A25 2.15149 0.00000 0.00000 0.00509 0.00491 2.15640 A26 1.96755 -0.00039 0.00000 -0.00013 -0.00031 1.96725 A27 1.92195 -0.00001 0.00000 -0.00740 -0.00715 1.91479 A28 1.87865 0.00009 0.00000 -0.00034 -0.00038 1.87828 A29 1.93720 0.00030 0.00000 0.01027 0.01013 1.94733 A30 1.90928 0.00015 0.00000 -0.00234 -0.00218 1.90710 A31 1.84412 -0.00013 0.00000 -0.00039 -0.00045 1.84367 A32 2.15158 0.00000 0.00000 0.00506 0.00488 2.15646 A33 1.53717 0.00144 0.00000 0.00836 0.00787 1.54504 A34 1.87223 -0.00033 0.00000 -0.00652 -0.00650 1.86573 A35 1.81100 0.00234 0.00000 0.03137 0.03130 1.84229 A36 2.26382 -0.00235 0.00000 -0.03655 -0.03637 2.22745 A37 1.97476 0.00161 0.00000 0.02148 0.02099 1.99575 A38 1.90429 -0.00096 0.00000 -0.00063 -0.00088 1.90342 A39 1.87231 -0.00033 0.00000 -0.00655 -0.00653 1.86578 A40 1.53729 0.00144 0.00000 0.00830 0.00780 1.54510 A41 1.81097 0.00234 0.00000 0.03138 0.03130 1.84227 A42 2.26375 -0.00235 0.00000 -0.03652 -0.03634 2.22741 A43 1.90428 -0.00096 0.00000 -0.00063 -0.00086 1.90341 A44 1.97473 0.00161 0.00000 0.02149 0.02100 1.99573 A45 1.87000 0.00008 0.00000 -0.00301 -0.00316 1.86684 A46 1.87001 0.00008 0.00000 -0.00301 -0.00316 1.86684 A47 1.87259 0.00166 0.00000 0.00328 0.00294 1.87553 A48 1.90586 0.00048 0.00000 0.01019 0.01011 1.91597 A49 1.90545 -0.00011 0.00000 0.01090 0.01094 1.91640 A50 1.90587 0.00048 0.00000 0.01019 0.01011 1.91598 A51 1.90546 -0.00011 0.00000 0.01089 0.01094 1.91640 A52 1.96628 -0.00221 0.00000 -0.04333 -0.04329 1.92299 A53 1.06649 -0.00019 0.00000 -0.00780 -0.00789 1.05860 A54 1.81101 -0.00015 0.00000 -0.00274 -0.00273 1.80828 A55 1.81090 -0.00015 0.00000 -0.00272 -0.00271 1.80819 D1 0.02909 0.00160 0.00000 0.05920 0.05902 0.08811 D2 2.96558 0.00042 0.00000 0.02217 0.02189 2.98747 D3 2.74003 -0.00045 0.00000 0.04462 0.04460 2.78463 D4 -0.60666 -0.00163 0.00000 0.00759 0.00747 -0.59919 D5 -1.78805 -0.00026 0.00000 0.02889 0.02887 -1.75917 D6 1.14844 -0.00144 0.00000 -0.00814 -0.00826 1.14019 D7 -2.97784 -0.00069 0.00000 -0.02613 -0.02611 -3.00396 D8 -0.80399 -0.00059 0.00000 -0.01841 -0.01854 -0.82253 D9 1.19820 -0.00070 0.00000 -0.02290 -0.02296 1.17524 D10 0.57563 0.00147 0.00000 -0.00832 -0.00820 0.56742 D11 2.74948 0.00157 0.00000 -0.00061 -0.00062 2.74885 D12 -1.53152 0.00147 0.00000 -0.00509 -0.00504 -1.53657 D13 -1.20038 -0.00110 0.00000 -0.01959 -0.01938 -1.21976 D14 0.97347 -0.00100 0.00000 -0.01188 -0.01180 0.96167 D15 2.97566 -0.00111 0.00000 -0.01636 -0.01622 2.95944 D16 -0.83642 -0.00107 0.00000 -0.02328 -0.02352 -0.85994 D17 -3.12664 0.00097 0.00000 0.01416 0.01383 -3.11280 D18 1.14227 0.00111 0.00000 0.00316 0.00305 1.14532 D19 1.29055 -0.00100 0.00000 -0.02570 -0.02575 1.26480 D20 -0.99967 0.00104 0.00000 0.01174 0.01160 -0.98807 D21 -3.01395 0.00118 0.00000 0.00074 0.00082 -3.01313 D22 -2.87236 -0.00103 0.00000 -0.02579 -0.02594 -2.89829 D23 1.12061 0.00101 0.00000 0.01165 0.01142 1.13203 D24 -0.89367 0.00115 0.00000 0.00065 0.00064 -0.89303 D25 -2.93786 0.00118 0.00000 0.03717 0.03733 -2.90054 D26 -0.00002 0.00000 0.00000 0.00001 0.00001 -0.00001 D27 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 D28 2.93785 -0.00118 0.00000 -0.03715 -0.03731 2.90054 D29 -2.96564 -0.00042 0.00000 -0.02214 -0.02186 -2.98750 D30 0.60678 0.00163 0.00000 -0.00763 -0.00751 0.59927 D31 -1.14853 0.00144 0.00000 0.00816 0.00827 -1.14025 D32 -0.02917 -0.00160 0.00000 -0.05917 -0.05899 -0.08816 D33 -2.73994 0.00045 0.00000 -0.04466 -0.04464 -2.78458 D34 1.78794 0.00026 0.00000 -0.02887 -0.02886 1.75908 D35 1.53120 -0.00147 0.00000 0.00518 0.00513 1.53634 D36 -2.74979 -0.00157 0.00000 0.00070 0.00071 -2.74908 D37 -0.57592 -0.00147 0.00000 0.00840 0.00828 -0.56764 D38 -1.19835 0.00070 0.00000 0.02292 0.02298 -1.17537 D39 0.80385 0.00059 0.00000 0.01843 0.01856 0.82240 D40 2.97772 0.00069 0.00000 0.02614 0.02613 3.00385 D41 -2.97583 0.00111 0.00000 0.01641 0.01626 -2.95956 D42 -0.97363 0.00100 0.00000 0.01192 0.01184 -0.96179 D43 1.20024 0.00110 0.00000 0.01963 0.01941 1.21965 D44 0.99976 -0.00104 0.00000 -0.01177 -0.01163 0.98813 D45 -1.29046 0.00100 0.00000 0.02568 0.02573 -1.26473 D46 3.01404 -0.00118 0.00000 -0.00076 -0.00084 3.01320 D47 3.12674 -0.00097 0.00000 -0.01420 -0.01387 3.11287 D48 0.83652 0.00107 0.00000 0.02325 0.02349 0.86001 D49 -1.14217 -0.00111 0.00000 -0.00319 -0.00308 -1.14525 D50 -1.12050 -0.00101 0.00000 -0.01169 -0.01145 -1.13195 D51 2.87247 0.00103 0.00000 0.02576 0.02590 2.89837 D52 0.89378 -0.00115 0.00000 -0.00068 -0.00067 0.89311 D53 1.74710 0.00017 0.00000 0.02735 0.02738 1.77448 D54 -2.51212 0.00020 0.00000 0.02312 0.02322 -2.48889 D55 -0.44415 0.00046 0.00000 0.02550 0.02573 -0.41842 D56 0.00018 0.00000 0.00000 -0.00005 -0.00005 0.00013 D57 -2.16529 0.00007 0.00000 0.00193 0.00184 -2.16345 D58 2.08972 -0.00004 0.00000 -0.00216 -0.00220 2.08752 D59 -2.08932 0.00004 0.00000 0.00205 0.00210 -2.08723 D60 2.02839 0.00011 0.00000 0.00403 0.00399 2.03238 D61 0.00022 0.00000 0.00000 -0.00006 -0.00006 0.00016 D62 2.16568 -0.00007 0.00000 -0.00203 -0.00194 2.16374 D63 0.00021 0.00000 0.00000 -0.00005 -0.00005 0.00016 D64 -2.02796 -0.00011 0.00000 -0.00414 -0.00410 -2.03206 D65 0.48449 -0.00060 0.00000 -0.03148 -0.03146 0.45302 D66 -1.23128 -0.00048 0.00000 -0.02847 -0.02847 -1.25975 D67 -1.74737 -0.00017 0.00000 -0.02728 -0.02731 -1.77468 D68 0.44384 -0.00046 0.00000 -0.02543 -0.02566 0.41819 D69 2.51182 -0.00020 0.00000 -0.02304 -0.02315 2.48867 D70 -0.48436 0.00060 0.00000 0.03145 0.03143 -0.45292 D71 1.23159 0.00048 0.00000 0.02840 0.02840 1.25999 D72 -0.00004 0.00000 0.00000 0.00001 0.00001 -0.00003 D73 1.78502 0.00053 0.00000 -0.01266 -0.01262 1.77240 D74 -1.95132 -0.00209 0.00000 -0.03281 -0.03263 -1.98395 D75 -1.78488 -0.00053 0.00000 0.01258 0.01254 -1.77235 D76 0.00018 0.00000 0.00000 -0.00010 -0.00010 0.00008 D77 2.54702 -0.00262 0.00000 -0.02025 -0.02011 2.52692 D78 1.95123 0.00209 0.00000 0.03284 0.03267 1.98390 D79 -2.54689 0.00262 0.00000 0.02017 0.02003 -2.52686 D80 -0.00004 0.00000 0.00000 0.00002 0.00002 -0.00002 D81 1.94286 -0.00021 0.00000 -0.01924 -0.01916 1.92370 D82 -2.70243 0.00289 0.00000 0.00999 0.01051 -2.69192 D83 -0.04857 -0.00057 0.00000 -0.02689 -0.02690 -0.07547 D84 -1.94286 0.00021 0.00000 0.01924 0.01916 -1.92370 D85 0.04864 0.00057 0.00000 0.02686 0.02687 0.07551 D86 2.70230 -0.00289 0.00000 -0.00992 -0.01044 2.69186 D87 0.07751 0.00102 0.00000 0.04311 0.04328 0.12079 D88 2.14109 0.00278 0.00000 0.06256 0.06263 2.20372 D89 -1.98536 0.00028 0.00000 0.02244 0.02246 -1.96289 D90 -0.07754 -0.00102 0.00000 -0.04310 -0.04326 -0.12080 D91 -2.14111 -0.00278 0.00000 -0.06256 -0.06262 -2.20373 D92 1.98533 -0.00028 0.00000 -0.02243 -0.02245 1.96288 D93 1.57184 0.00082 0.00000 0.00369 0.00366 1.57550 D94 0.47028 0.00106 0.00000 0.01263 0.01267 0.48295 D95 -0.47032 -0.00106 0.00000 -0.01261 -0.01266 -0.48298 D96 -1.57188 -0.00082 0.00000 -0.00367 -0.00365 -1.57552 D97 -2.59084 -0.00012 0.00000 -0.00446 -0.00450 -2.59533 D98 2.59079 0.00012 0.00000 0.00448 0.00451 2.59530 Item Value Threshold Converged? Maximum Force 0.005755 0.000450 NO RMS Force 0.001409 0.000300 NO Maximum Displacement 0.117824 0.001800 NO RMS Displacement 0.027484 0.001200 NO Predicted change in Energy=-1.625437D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.170103 1.363996 0.114899 2 1 0 -1.061696 2.443002 0.015133 3 6 0 -2.111657 0.703357 -0.658527 4 1 0 -2.677246 1.243971 -1.414936 5 6 0 -2.111559 -0.703697 -0.658365 6 1 0 -2.677060 -1.244565 -1.414656 7 6 0 -1.169897 -1.364005 0.115216 8 1 0 -1.061344 -2.443023 0.015735 9 6 0 -0.721110 -0.778937 1.438239 10 1 0 -1.410694 -1.141460 2.213177 11 1 0 0.262001 -1.181742 1.705932 12 6 0 -0.721130 0.779316 1.438026 13 1 0 0.262012 1.182226 1.705450 14 1 0 -1.410597 1.142037 2.212976 15 6 0 0.731387 0.693773 -1.002927 16 1 0 0.455000 1.351118 -1.809997 17 6 0 0.731401 -0.693973 -1.002746 18 1 0 0.455084 -1.351506 -1.809689 19 8 0 1.797765 1.148534 -0.231693 20 8 0 1.797814 -1.148504 -0.231416 21 6 0 2.415326 0.000095 0.341916 22 1 0 3.488947 0.000092 0.109162 23 1 0 2.263548 0.000225 1.429154 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089018 0.000000 3 C 1.386058 2.140701 0.000000 4 H 2.150879 2.468354 1.088259 0.000000 5 C 2.399923 3.384897 1.407054 2.164673 0.000000 6 H 3.378617 4.272219 2.164674 2.488536 1.088258 7 C 2.728001 3.809860 2.399912 3.378610 1.386060 8 H 3.809863 4.886025 3.384892 4.272222 2.140705 9 C 2.558317 3.538661 2.920145 4.007397 2.516895 10 H 3.276883 4.219190 3.484449 4.523012 2.988077 11 H 3.326122 4.213045 3.844284 4.925756 3.384113 12 C 1.514626 2.215505 2.516917 3.490227 2.920184 13 H 2.147986 2.489765 3.384081 4.287173 3.844238 14 H 2.123447 2.577742 2.988219 3.844025 3.484635 15 C 2.305298 2.703959 2.863844 3.477247 3.186532 16 H 2.519196 2.612217 2.886729 3.158879 3.483639 17 C 3.016634 3.753916 3.186534 3.942638 2.863758 18 H 3.703947 4.475365 3.483647 4.087031 2.886669 19 O 2.995795 3.148505 3.957770 4.629783 4.346909 20 O 3.903988 4.597445 4.346927 5.210644 3.957693 21 C 3.842793 4.261955 4.689247 5.528837 4.689197 22 H 4.854587 5.165753 5.696551 6.472407 5.696498 23 H 3.921365 4.361636 4.898493 5.834998 4.898449 6 7 8 9 10 6 H 0.000000 7 C 2.150887 0.000000 8 H 2.468371 1.089018 0.000000 9 C 3.490209 1.514630 2.215505 0.000000 10 H 3.843890 2.123429 2.577763 1.098853 0.000000 11 H 4.287202 2.148006 2.489748 1.095637 1.748379 12 C 4.007437 2.558328 3.538662 1.558253 2.183057 13 H 4.925700 3.326033 4.212937 2.209998 2.907791 14 H 4.523219 3.277008 4.219301 2.183060 2.283497 15 C 3.942612 3.016550 3.753804 3.199674 4.277840 16 H 4.087012 3.703866 4.475277 4.058498 5.087208 17 C 3.477129 2.305150 2.703778 2.841728 3.889856 18 H 3.158768 2.519122 2.612113 3.501472 4.439448 19 O 5.210603 3.903872 4.597283 3.584488 4.638499 20 O 4.629663 2.995647 3.148277 3.044554 4.033684 21 C 5.528754 3.842653 4.261743 3.412630 4.409443 22 H 6.472313 4.854444 5.165529 4.483070 5.453119 23 H 5.834927 3.921237 4.361436 3.084698 3.926601 11 12 13 14 15 11 H 0.000000 12 C 2.209993 0.000000 13 H 2.363967 1.095637 0.000000 14 H 2.907683 1.098853 1.748376 0.000000 15 C 3.328032 2.841720 2.791810 3.889867 0.000000 16 H 4.337555 3.501413 3.524788 4.439423 1.076965 17 C 2.791988 3.199656 3.327878 4.277844 1.387746 18 H 3.525010 4.058514 4.337427 5.087273 2.215936 19 O 3.397521 3.044522 2.472285 4.033613 1.392397 20 O 2.472477 3.584495 3.397416 4.638483 2.264173 21 C 2.809641 3.412623 2.809522 4.409374 2.263944 22 H 3.789404 4.483059 3.789286 5.453036 3.053207 23 H 2.340906 3.084699 2.340857 3.926506 2.956949 16 17 18 19 20 16 H 0.000000 17 C 2.215953 0.000000 18 H 2.702624 1.076966 0.000000 19 O 2.082090 2.264175 3.247008 0.000000 20 O 3.247026 1.392403 2.082085 2.297038 0.000000 21 C 3.209185 2.263946 3.209171 1.424543 1.424538 22 H 3.835789 3.053216 3.835770 2.072487 2.072485 23 H 3.948146 2.956946 3.948142 2.072193 2.072191 21 22 23 21 C 0.000000 22 H 1.098562 0.000000 23 H 1.097781 1.801106 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.183624 -1.364005 0.082477 2 1 0 1.072512 -2.443014 -0.014233 3 6 0 2.103643 -0.703413 -0.716485 4 1 0 2.648289 -1.244067 -1.488081 5 6 0 2.103566 0.703641 -0.716383 6 1 0 2.648141 1.244469 -1.487908 7 6 0 1.183460 1.363997 0.082677 8 1 0 1.072236 2.443012 -0.013840 9 6 0 0.771083 0.778993 1.417526 10 1 0 1.481644 1.141541 2.173264 11 1 0 -0.204321 1.181823 1.712036 12 6 0 0.771078 -0.779260 1.417382 13 1 0 -0.204373 -1.182144 1.711659 14 1 0 1.481513 -1.141956 2.173167 15 6 0 -0.747769 -0.693806 -0.982863 16 1 0 -0.493606 -1.351190 -1.797173 17 6 0 -0.747761 0.693940 -0.982744 18 1 0 -0.493649 1.351434 -1.796983 19 8 0 -1.792622 -1.148519 -0.182682 20 8 0 -1.792636 1.148519 -0.182506 21 6 0 -2.394222 -0.000046 0.407581 22 1 0 -3.473817 -0.000038 0.204328 23 1 0 -2.212714 -0.000129 1.490252 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9097775 1.0248003 0.9593808 Standard basis: 6-31G(d) (6D, 7F) There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 652.1177014487 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.01D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999986 0.000018 -0.005308 0.000004 Ang= 0.61 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.488546605 A.U. after 13 cycles NFock= 13 Conv=0.21D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000989011 0.000057458 -0.000512464 2 1 -0.000295773 0.000081747 0.000328276 3 6 -0.001320147 -0.000250913 -0.000000997 4 1 -0.000001550 -0.000008995 -0.000053724 5 6 -0.001321045 0.000251460 -0.000001467 6 1 -0.000001651 0.000009013 -0.000053688 7 6 0.000989113 -0.000058612 -0.000512349 8 1 -0.000296410 -0.000081815 0.000328416 9 6 -0.000470126 0.000036183 0.000448241 10 1 0.000005012 0.000012735 0.000041899 11 1 -0.000232540 -0.000223610 -0.000409554 12 6 -0.000470176 -0.000035684 0.000447608 13 1 -0.000232918 0.000223405 -0.000408217 14 1 0.000004380 -0.000012862 0.000041469 15 6 -0.000532811 0.001380339 0.001107626 16 1 0.000290430 -0.000357086 -0.000552219 17 6 -0.000533158 -0.001379865 0.001108366 18 1 0.000290141 0.000356816 -0.000552398 19 8 0.001351803 -0.000041925 -0.000356913 20 8 0.001352773 0.000041955 -0.000356663 21 6 0.000131811 -0.000000132 -0.000641497 22 1 0.000049566 0.000000105 0.000215742 23 1 0.000254263 0.000000283 0.000344508 ------------------------------------------------------------------- Cartesian Forces: Max 0.001380339 RMS 0.000543047 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001012597 RMS 0.000248968 Search for a saddle point. Step number 3 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 ITU= 0 0 0 Eigenvalues --- -0.04111 0.00052 0.00057 0.00208 0.00369 Eigenvalues --- 0.00736 0.01368 0.01421 0.01492 0.01528 Eigenvalues --- 0.01782 0.01977 0.02290 0.02353 0.02509 Eigenvalues --- 0.02902 0.03107 0.03311 0.03319 0.03725 Eigenvalues --- 0.04127 0.04286 0.04727 0.05037 0.05276 Eigenvalues --- 0.05293 0.05448 0.05470 0.06222 0.06463 Eigenvalues --- 0.08232 0.08348 0.08869 0.09356 0.11190 Eigenvalues --- 0.11771 0.12154 0.12716 0.15484 0.16227 Eigenvalues --- 0.16913 0.18889 0.23045 0.23905 0.25521 Eigenvalues --- 0.26042 0.27574 0.28250 0.29814 0.30385 Eigenvalues --- 0.30983 0.32069 0.33289 0.33977 0.35163 Eigenvalues --- 0.35184 0.36041 0.36145 0.38802 0.38923 Eigenvalues --- 0.40706 0.40978 0.43200 Eigenvectors required to have negative eigenvalues: R11 R4 D77 D79 D82 1 0.55811 0.55804 0.17999 -0.17997 -0.14543 D86 R20 D75 D73 D30 1 0.14543 -0.13254 0.11201 -0.11201 -0.10536 RFO step: Lambda0=3.107596871D-06 Lambda=-2.24008458D-04. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00858208 RMS(Int)= 0.00007719 Iteration 2 RMS(Cart)= 0.00006913 RMS(Int)= 0.00004386 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004386 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05795 0.00002 0.00000 0.00010 0.00010 2.05805 R2 2.61927 0.00101 0.00000 0.00047 0.00047 2.61974 R3 2.86223 0.00009 0.00000 0.00075 0.00072 2.86294 R4 4.35638 0.00064 0.00000 0.02321 0.02323 4.37961 R5 2.05651 0.00003 0.00000 0.00010 0.00010 2.05661 R6 2.65895 -0.00009 0.00000 0.00189 0.00189 2.66084 R7 2.05651 0.00003 0.00000 0.00010 0.00010 2.05661 R8 2.61927 0.00101 0.00000 0.00045 0.00045 2.61972 R9 2.05795 0.00002 0.00000 0.00010 0.00010 2.05805 R10 2.86224 0.00009 0.00000 0.00073 0.00070 2.86293 R11 4.35610 0.00064 0.00000 0.02365 0.02368 4.37978 R12 2.07653 0.00002 0.00000 0.00013 0.00013 2.07666 R13 2.07045 0.00016 0.00000 -0.00019 -0.00024 2.07021 R14 2.94467 -0.00003 0.00000 0.00036 0.00032 2.94500 R15 4.42367 0.00052 0.00000 -0.00038 -0.00040 4.42327 R16 2.07045 0.00016 0.00000 -0.00019 -0.00024 2.07021 R17 2.07653 0.00002 0.00000 0.00012 0.00012 2.07665 R18 4.42358 0.00052 0.00000 -0.00028 -0.00030 4.42328 R19 2.03517 0.00012 0.00000 0.00058 0.00058 2.03575 R20 2.62246 0.00089 0.00000 0.00197 0.00205 2.62451 R21 2.63125 0.00053 0.00000 0.00105 0.00112 2.63236 R22 2.03517 0.00012 0.00000 0.00057 0.00057 2.03575 R23 2.63126 0.00053 0.00000 0.00101 0.00108 2.63234 R24 2.69200 -0.00013 0.00000 0.00079 0.00075 2.69275 R25 2.69199 -0.00013 0.00000 0.00080 0.00077 2.69276 R26 2.07598 0.00000 0.00000 -0.00088 -0.00088 2.07510 R27 2.07451 0.00027 0.00000 0.00176 0.00179 2.07629 A1 2.08145 -0.00005 0.00000 -0.00066 -0.00070 2.08076 A2 2.01861 0.00000 0.00000 -0.00183 -0.00182 2.01678 A3 1.73304 0.00002 0.00000 0.00627 0.00626 1.73930 A4 2.09998 -0.00011 0.00000 -0.00064 -0.00065 2.09933 A5 1.72255 0.00058 0.00000 0.00443 0.00444 1.72699 A6 1.63770 -0.00025 0.00000 -0.00354 -0.00355 1.63415 A7 2.09916 0.00008 0.00000 0.00010 0.00010 2.09926 A8 2.06749 -0.00010 0.00000 0.00025 0.00024 2.06773 A9 2.09080 0.00001 0.00000 -0.00064 -0.00064 2.09016 A10 2.09081 0.00001 0.00000 -0.00065 -0.00065 2.09016 A11 2.06747 -0.00010 0.00000 0.00028 0.00028 2.06775 A12 2.09917 0.00008 0.00000 0.00009 0.00009 2.09926 A13 2.08146 -0.00005 0.00000 -0.00066 -0.00069 2.08077 A14 2.09994 -0.00011 0.00000 -0.00059 -0.00059 2.09935 A15 1.72259 0.00058 0.00000 0.00435 0.00436 1.72695 A16 2.01860 0.00000 0.00000 -0.00181 -0.00180 2.01680 A17 1.73299 0.00002 0.00000 0.00629 0.00629 1.73927 A18 1.63781 -0.00025 0.00000 -0.00367 -0.00368 1.63413 A19 1.87825 -0.00003 0.00000 0.00160 0.00162 1.87987 A20 1.91482 0.00000 0.00000 -0.00492 -0.00495 1.90987 A21 1.96726 0.00007 0.00000 0.00049 0.00050 1.96775 A22 1.84367 0.00003 0.00000 0.00026 0.00028 1.84395 A23 1.90710 0.00000 0.00000 0.00003 0.00002 1.90712 A24 1.94732 -0.00006 0.00000 0.00254 0.00254 1.94986 A25 2.15640 0.00021 0.00000 -0.00160 -0.00162 2.15477 A26 1.96725 0.00007 0.00000 0.00050 0.00051 1.96775 A27 1.91479 0.00000 0.00000 -0.00491 -0.00493 1.90986 A28 1.87828 -0.00003 0.00000 0.00157 0.00158 1.87986 A29 1.94733 -0.00006 0.00000 0.00253 0.00254 1.94986 A30 1.90710 0.00000 0.00000 0.00003 0.00002 1.90712 A31 1.84367 0.00003 0.00000 0.00028 0.00029 1.84396 A32 2.15646 0.00021 0.00000 -0.00167 -0.00170 2.15477 A33 1.54504 0.00016 0.00000 0.00004 0.00000 1.54504 A34 1.86573 -0.00010 0.00000 -0.00140 -0.00140 1.86433 A35 1.84229 0.00054 0.00000 0.01951 0.01954 1.86184 A36 2.22745 -0.00024 0.00000 -0.00798 -0.00798 2.21947 A37 1.99575 0.00010 0.00000 -0.00081 -0.00088 1.99487 A38 1.90342 -0.00017 0.00000 -0.00082 -0.00093 1.90248 A39 1.86578 -0.00010 0.00000 -0.00149 -0.00150 1.86428 A40 1.54510 0.00016 0.00000 -0.00010 -0.00014 1.54496 A41 1.84227 0.00054 0.00000 0.01950 0.01954 1.86181 A42 2.22741 -0.00024 0.00000 -0.00791 -0.00791 2.21950 A43 1.90341 -0.00017 0.00000 -0.00079 -0.00090 1.90251 A44 1.99573 0.00010 0.00000 -0.00078 -0.00084 1.99489 A45 1.86684 -0.00004 0.00000 -0.00116 -0.00138 1.86547 A46 1.86684 -0.00004 0.00000 -0.00116 -0.00138 1.86546 A47 1.87553 0.00038 0.00000 -0.00166 -0.00190 1.87363 A48 1.91597 -0.00005 0.00000 -0.00021 -0.00018 1.91580 A49 1.91640 -0.00023 0.00000 0.00260 0.00272 1.91911 A50 1.91598 -0.00005 0.00000 -0.00022 -0.00019 1.91579 A51 1.91640 -0.00023 0.00000 0.00259 0.00270 1.91911 A52 1.92299 0.00018 0.00000 -0.00303 -0.00310 1.91989 A53 1.05860 -0.00018 0.00000 0.00270 0.00269 1.06129 A54 1.80828 0.00013 0.00000 0.01437 0.01433 1.82261 A55 1.80819 0.00013 0.00000 0.01445 0.01440 1.82260 D1 0.08811 0.00025 0.00000 0.01021 0.01021 0.09831 D2 2.98747 0.00015 0.00000 0.00876 0.00876 2.99622 D3 2.78463 -0.00015 0.00000 0.00181 0.00182 2.78645 D4 -0.59919 -0.00025 0.00000 0.00036 0.00037 -0.59883 D5 -1.75917 -0.00012 0.00000 0.00019 0.00019 -1.75899 D6 1.14019 -0.00022 0.00000 -0.00126 -0.00127 1.13892 D7 -3.00396 -0.00011 0.00000 -0.00806 -0.00806 -3.01202 D8 -0.82253 -0.00014 0.00000 -0.00813 -0.00813 -0.83066 D9 1.17524 -0.00012 0.00000 -0.00947 -0.00947 1.16577 D10 0.56742 0.00029 0.00000 -0.00023 -0.00023 0.56719 D11 2.74885 0.00025 0.00000 -0.00029 -0.00030 2.74855 D12 -1.53657 0.00027 0.00000 -0.00163 -0.00163 -1.53820 D13 -1.21976 -0.00022 0.00000 -0.00313 -0.00314 -1.22290 D14 0.96167 -0.00025 0.00000 -0.00319 -0.00321 0.95846 D15 2.95944 -0.00023 0.00000 -0.00454 -0.00455 2.95489 D16 -0.85994 -0.00022 0.00000 -0.00938 -0.00941 -0.86935 D17 -3.11280 -0.00001 0.00000 -0.00059 -0.00061 -3.11341 D18 1.14532 -0.00002 0.00000 -0.00826 -0.00826 1.13706 D19 1.26480 -0.00010 0.00000 -0.00705 -0.00705 1.25775 D20 -0.98807 0.00011 0.00000 0.00175 0.00175 -0.98631 D21 -3.01313 0.00010 0.00000 -0.00592 -0.00590 -3.01903 D22 -2.89829 -0.00017 0.00000 -0.00773 -0.00774 -2.90603 D23 1.13203 0.00004 0.00000 0.00107 0.00106 1.13309 D24 -0.89303 0.00003 0.00000 -0.00660 -0.00659 -0.89963 D25 -2.90054 0.00009 0.00000 0.00133 0.00133 -2.89920 D26 -0.00001 0.00000 0.00000 0.00005 0.00005 0.00004 D27 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 D28 2.90054 -0.00009 0.00000 -0.00129 -0.00129 2.89925 D29 -2.98750 -0.00015 0.00000 -0.00869 -0.00869 -2.99618 D30 0.59927 0.00025 0.00000 -0.00050 -0.00051 0.59876 D31 -1.14025 0.00022 0.00000 0.00131 0.00132 -1.13894 D32 -0.08816 -0.00025 0.00000 -0.01008 -0.01008 -0.09824 D33 -2.78458 0.00015 0.00000 -0.00190 -0.00190 -2.78648 D34 1.75908 0.00012 0.00000 -0.00009 -0.00008 1.75900 D35 1.53634 -0.00027 0.00000 0.00191 0.00192 1.53825 D36 -2.74908 -0.00025 0.00000 0.00057 0.00058 -2.74850 D37 -0.56764 -0.00029 0.00000 0.00049 0.00049 -0.56714 D38 -1.17537 0.00012 0.00000 0.00955 0.00955 -1.16581 D39 0.82240 0.00014 0.00000 0.00821 0.00821 0.83062 D40 3.00385 0.00011 0.00000 0.00813 0.00813 3.01198 D41 -2.95956 0.00023 0.00000 0.00466 0.00467 -2.95490 D42 -0.96179 0.00025 0.00000 0.00331 0.00333 -0.95847 D43 1.21965 0.00022 0.00000 0.00323 0.00324 1.22289 D44 0.98813 -0.00011 0.00000 -0.00180 -0.00180 0.98633 D45 -1.26473 0.00010 0.00000 0.00699 0.00699 -1.25774 D46 3.01320 -0.00010 0.00000 0.00586 0.00584 3.01904 D47 3.11287 0.00001 0.00000 0.00052 0.00054 3.11341 D48 0.86001 0.00022 0.00000 0.00932 0.00934 0.86935 D49 -1.14525 0.00002 0.00000 0.00819 0.00819 -1.13706 D50 -1.13195 -0.00004 0.00000 -0.00114 -0.00113 -1.13308 D51 2.89837 0.00017 0.00000 0.00765 0.00767 2.90604 D52 0.89311 -0.00003 0.00000 0.00652 0.00652 0.89963 D53 1.77448 0.00015 0.00000 0.00500 0.00497 1.77944 D54 -2.48889 0.00013 0.00000 0.00463 0.00461 -2.48428 D55 -0.41842 0.00011 0.00000 0.00619 0.00617 -0.41225 D56 0.00013 0.00000 0.00000 -0.00015 -0.00015 -0.00002 D57 -2.16345 0.00000 0.00000 0.00401 0.00404 -2.15941 D58 2.08752 0.00000 0.00000 0.00216 0.00218 2.08970 D59 -2.08723 0.00000 0.00000 -0.00251 -0.00252 -2.08975 D60 2.03238 0.00000 0.00000 0.00165 0.00167 2.03405 D61 0.00016 0.00000 0.00000 -0.00019 -0.00019 -0.00003 D62 2.16374 0.00000 0.00000 -0.00434 -0.00437 2.15937 D63 0.00016 0.00000 0.00000 -0.00018 -0.00018 -0.00002 D64 -2.03206 0.00000 0.00000 -0.00202 -0.00204 -2.03409 D65 0.45302 -0.00014 0.00000 -0.00680 -0.00677 0.44625 D66 -1.25975 -0.00019 0.00000 -0.01631 -0.01633 -1.27607 D67 -1.77468 -0.00015 0.00000 -0.00477 -0.00473 -1.77942 D68 0.41819 -0.00011 0.00000 -0.00593 -0.00591 0.41228 D69 2.48867 -0.00013 0.00000 -0.00437 -0.00435 2.48431 D70 -0.45292 0.00014 0.00000 0.00668 0.00666 -0.44627 D71 1.25999 0.00019 0.00000 0.01608 0.01609 1.27608 D72 -0.00003 0.00000 0.00000 0.00002 0.00002 -0.00001 D73 1.77240 0.00001 0.00000 -0.00507 -0.00509 1.76731 D74 -1.98395 -0.00049 0.00000 -0.02152 -0.02154 -2.00549 D75 -1.77235 -0.00001 0.00000 0.00488 0.00490 -1.76745 D76 0.00008 0.00000 0.00000 -0.00021 -0.00021 -0.00013 D77 2.52692 -0.00050 0.00000 -0.01666 -0.01666 2.51026 D78 1.98390 0.00049 0.00000 0.02160 0.02161 2.00551 D79 -2.52686 0.00050 0.00000 0.01650 0.01650 -2.51036 D80 -0.00002 0.00000 0.00000 0.00005 0.00005 0.00003 D81 1.92370 -0.00006 0.00000 -0.01626 -0.01621 1.90749 D82 -2.69192 0.00041 0.00000 -0.00708 -0.00705 -2.69897 D83 -0.07547 -0.00013 0.00000 -0.02415 -0.02416 -0.09963 D84 -1.92370 0.00006 0.00000 0.01627 0.01621 -1.90749 D85 0.07551 0.00013 0.00000 0.02407 0.02407 0.09959 D86 2.69186 -0.00041 0.00000 0.00723 0.00720 2.69906 D87 0.12079 0.00025 0.00000 0.03860 0.03863 0.15942 D88 2.20372 0.00038 0.00000 0.03724 0.03718 2.24090 D89 -1.96289 0.00043 0.00000 0.03500 0.03496 -1.92793 D90 -0.12080 -0.00025 0.00000 -0.03857 -0.03859 -0.15940 D91 -2.20373 -0.00038 0.00000 -0.03721 -0.03716 -2.24089 D92 1.96288 -0.00043 0.00000 -0.03496 -0.03492 1.92795 D93 1.57550 0.00002 0.00000 0.00407 0.00407 1.57957 D94 0.48295 0.00017 0.00000 -0.00298 -0.00311 0.47984 D95 -0.48298 -0.00017 0.00000 0.00299 0.00313 -0.47985 D96 -1.57552 -0.00002 0.00000 -0.00406 -0.00405 -1.57958 D97 -2.59533 -0.00007 0.00000 0.00354 0.00361 -2.59173 D98 2.59530 0.00007 0.00000 -0.00351 -0.00357 2.59173 Item Value Threshold Converged? Maximum Force 0.001013 0.000450 NO RMS Force 0.000249 0.000300 YES Maximum Displacement 0.043432 0.001800 NO RMS Displacement 0.008568 0.001200 NO Predicted change in Energy=-1.123265D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.176656 1.364907 0.116341 2 1 0 -1.074738 2.445064 0.021736 3 6 0 -2.119094 0.703872 -0.656114 4 1 0 -2.684688 1.243913 -1.413005 5 6 0 -2.119044 -0.704181 -0.655929 6 1 0 -2.684594 -1.244460 -1.412683 7 6 0 -1.176600 -1.364959 0.116726 8 1 0 -1.074585 -2.445129 0.022381 9 6 0 -0.726284 -0.779048 1.439279 10 1 0 -1.413165 -1.141625 2.216681 11 1 0 0.257151 -1.184377 1.701395 12 6 0 -0.726333 0.779377 1.439067 13 1 0 0.257071 1.184839 1.701091 14 1 0 -1.413257 1.142125 2.216350 15 6 0 0.739854 0.694327 -1.001041 16 1 0 0.460632 1.345029 -1.812915 17 6 0 0.739928 -0.694504 -1.000881 18 1 0 0.460679 -1.345453 -1.812544 19 8 0 1.820719 1.148083 -0.248544 20 8 0 1.820797 -1.148003 -0.248265 21 6 0 2.426990 0.000134 0.338914 22 1 0 3.504568 0.000141 0.127638 23 1 0 2.256840 0.000257 1.424385 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089071 0.000000 3 C 1.386306 2.140539 0.000000 4 H 2.151209 2.468438 1.088312 0.000000 5 C 2.401171 3.386377 1.408053 2.165222 0.000000 6 H 3.379436 4.273380 2.165222 2.488373 1.088313 7 C 2.729866 3.812568 2.401175 3.379441 1.386298 8 H 3.812561 4.890193 3.386379 4.273382 2.140537 9 C 2.559207 3.539172 2.920555 4.007897 2.516998 10 H 3.278730 4.218608 3.486710 4.525725 2.990236 11 H 3.326717 4.215213 3.843160 4.924479 3.381400 12 C 1.515004 2.214661 2.516996 3.490740 2.920547 13 H 2.144628 2.486386 3.381406 4.284277 3.843157 14 H 2.125006 2.574602 2.990205 3.846963 3.486685 15 C 2.317591 2.721010 2.879696 3.492742 3.201284 16 H 2.530441 2.633132 2.899009 3.172253 3.491790 17 C 3.026987 3.767711 3.201301 3.956678 2.879723 18 H 3.707763 4.482198 3.491746 4.093626 2.898958 19 O 3.027277 3.184161 3.985670 4.654443 4.372479 20 O 3.928407 4.622463 4.372474 5.232330 3.985664 21 C 3.859845 4.282568 4.706614 5.544859 4.706612 22 H 4.876123 5.192197 5.721458 6.498265 5.721456 23 H 3.919457 4.363935 4.896157 5.832338 4.896152 6 7 8 9 10 6 H 0.000000 7 C 2.151199 0.000000 8 H 2.468430 1.089071 0.000000 9 C 3.490741 1.514999 2.214665 0.000000 10 H 3.846998 2.125006 2.574629 1.098919 0.000000 11 H 4.284269 2.144628 2.486384 1.095510 1.748515 12 C 4.007890 2.559200 3.539169 1.558425 2.183271 13 H 4.924477 3.326724 4.215215 2.211873 2.909975 14 H 4.525701 3.278704 4.218601 2.183272 2.283750 15 C 3.956664 3.027021 3.767726 3.205550 4.284851 16 H 4.093663 3.707840 4.482242 4.061678 5.092367 17 C 3.492762 2.317679 2.721068 2.848035 3.897234 18 H 3.172196 2.530444 2.633110 3.507712 4.448313 19 O 5.232335 3.928451 4.622484 3.612451 4.666702 20 O 4.654431 3.027323 3.184183 3.077589 4.066265 21 C 5.544854 3.859885 4.282585 3.429441 4.424525 22 H 6.498258 4.876162 5.192212 4.497516 5.463683 23 H 5.832328 3.919477 4.363934 3.083272 3.924356 11 12 13 14 15 11 H 0.000000 12 C 2.211874 0.000000 13 H 2.369215 1.095508 0.000000 14 H 2.909991 1.098918 1.748517 0.000000 15 C 3.326513 2.847992 2.788404 3.897180 0.000000 16 H 4.334705 3.507738 3.523540 4.448326 1.077273 17 C 2.788431 3.205556 3.326519 4.284856 1.388831 18 H 3.523512 4.061634 4.334681 5.092314 2.212956 19 O 3.418681 3.077571 2.499485 4.066244 1.392987 20 O 2.499497 3.612444 3.418681 4.666704 2.264794 21 C 2.822698 3.429432 2.822694 4.424524 2.263583 22 H 3.798093 4.497508 3.798092 5.463685 3.065853 23 H 2.340694 3.083272 2.340700 3.924371 2.943751 16 17 18 19 20 16 H 0.000000 17 C 2.212939 0.000000 18 H 2.690481 1.077270 0.000000 19 O 2.082278 2.264784 3.242456 0.000000 20 O 3.242436 1.392973 2.082277 2.296086 0.000000 21 C 3.210245 2.263571 3.210258 1.424941 1.424945 22 H 3.852275 3.065832 3.852297 2.072350 2.072347 23 H 3.938894 2.943745 3.938888 2.075187 2.075185 21 22 23 21 C 0.000000 22 H 1.098095 0.000000 23 H 1.098726 1.799549 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.194011 -1.364931 0.079495 2 1 0 1.089002 -2.445098 -0.011546 3 6 0 2.110580 -0.704050 -0.723614 4 1 0 2.650976 -1.244227 -1.498601 5 6 0 2.110586 0.704003 -0.723640 6 1 0 2.650981 1.244145 -1.498652 7 6 0 1.194066 1.364935 0.079469 8 1 0 1.089044 2.445095 -0.011637 9 6 0 0.787434 0.779240 1.416194 10 1 0 1.499504 1.141906 2.170549 11 1 0 -0.186842 1.184648 1.710425 12 6 0 0.787420 -0.779185 1.416216 13 1 0 -0.186856 -1.184567 1.710477 14 1 0 1.499504 -1.141844 2.170561 15 6 0 -0.758159 -0.694441 -0.974404 16 1 0 -0.505790 -1.345276 -1.794917 17 6 0 -0.758178 0.694390 -0.974453 18 1 0 -0.505730 1.345205 -1.794952 19 8 0 -1.813727 -1.148040 -0.186726 20 8 0 -1.813715 1.148046 -0.186791 21 6 0 -2.400325 0.000021 0.420164 22 1 0 -3.484264 0.000026 0.244415 23 1 0 -2.194596 0.000054 1.499458 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9093602 1.0139475 0.9497361 Standard basis: 6-31G(d) (6D, 7F) There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.6376482132 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999998 0.000054 -0.002115 0.000011 Ang= 0.24 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.488665577 A.U. after 11 cycles NFock= 11 Conv=0.50D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000355248 -0.000047203 -0.000025334 2 1 0.000035233 -0.000006175 0.000010696 3 6 0.000042753 0.000064384 0.000007016 4 1 -0.000015690 0.000007335 0.000024495 5 6 0.000038529 -0.000063516 0.000006731 6 1 -0.000015967 -0.000007178 0.000024768 7 6 -0.000350909 0.000045191 -0.000027032 8 1 0.000033802 0.000005943 0.000011799 9 6 0.000000383 0.000014531 0.000016749 10 1 -0.000023699 0.000003132 -0.000048469 11 1 0.000009628 0.000089464 0.000076474 12 6 0.000000142 -0.000013989 0.000015183 13 1 0.000010320 -0.000089324 0.000077395 14 1 -0.000023753 -0.000003082 -0.000048277 15 6 0.000286297 -0.000243293 0.000051493 16 1 -0.000052312 0.000006558 0.000046898 17 6 0.000279091 0.000243099 0.000053686 18 1 -0.000050458 -0.000006339 0.000045218 19 8 0.000162508 -0.000157067 0.000210848 20 8 0.000164627 0.000157049 0.000210906 21 6 0.000091008 0.000000095 -0.000600290 22 1 -0.000070552 0.000000363 -0.000028887 23 1 -0.000195734 0.000000023 -0.000112066 ------------------------------------------------------------------- Cartesian Forces: Max 0.000600290 RMS 0.000132766 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000322246 RMS 0.000061883 Search for a saddle point. Step number 4 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 ITU= 0 0 0 0 Eigenvalues --- -0.04201 0.00052 0.00118 0.00208 0.00369 Eigenvalues --- 0.00705 0.01368 0.01400 0.01492 0.01500 Eigenvalues --- 0.01823 0.01977 0.02290 0.02364 0.02508 Eigenvalues --- 0.02904 0.03107 0.03306 0.03318 0.03725 Eigenvalues --- 0.04102 0.04285 0.04726 0.05029 0.05274 Eigenvalues --- 0.05284 0.05447 0.05485 0.06209 0.06462 Eigenvalues --- 0.08226 0.08326 0.08867 0.09324 0.11185 Eigenvalues --- 0.11770 0.12150 0.12713 0.15477 0.16219 Eigenvalues --- 0.16906 0.18875 0.22984 0.23902 0.25514 Eigenvalues --- 0.26024 0.27569 0.28222 0.29810 0.30385 Eigenvalues --- 0.30982 0.32065 0.33283 0.33971 0.35163 Eigenvalues --- 0.35183 0.36041 0.36145 0.38802 0.38923 Eigenvalues --- 0.40704 0.40970 0.43201 Eigenvectors required to have negative eigenvalues: R11 R4 D79 D77 D86 1 -0.56343 -0.56323 0.17303 -0.17301 -0.14703 D82 R20 D73 D75 D30 1 0.14700 0.13291 0.11390 -0.11386 0.10523 RFO step: Lambda0=2.379768184D-06 Lambda=-7.96276294D-06. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00186119 RMS(Int)= 0.00000310 Iteration 2 RMS(Cart)= 0.00000253 RMS(Int)= 0.00000166 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000166 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05805 0.00000 0.00000 0.00001 0.00001 2.05806 R2 2.61974 -0.00006 0.00000 0.00040 0.00040 2.62014 R3 2.86294 -0.00004 0.00000 0.00025 0.00025 2.86320 R4 4.37961 0.00024 0.00000 -0.00204 -0.00204 4.37757 R5 2.05661 -0.00001 0.00000 -0.00002 -0.00002 2.05659 R6 2.66084 0.00001 0.00000 -0.00050 -0.00050 2.66034 R7 2.05661 -0.00001 0.00000 -0.00002 -0.00002 2.05659 R8 2.61972 -0.00006 0.00000 0.00045 0.00045 2.62017 R9 2.05805 0.00000 0.00000 0.00001 0.00001 2.05806 R10 2.86293 -0.00004 0.00000 0.00029 0.00029 2.86322 R11 4.37978 0.00024 0.00000 -0.00272 -0.00272 4.37706 R12 2.07666 -0.00002 0.00000 -0.00008 -0.00008 2.07658 R13 2.07021 0.00002 0.00000 0.00003 0.00002 2.07024 R14 2.94500 -0.00014 0.00000 -0.00043 -0.00044 2.94456 R15 4.42327 0.00003 0.00000 0.01168 0.01168 4.43495 R16 2.07021 0.00002 0.00000 0.00004 0.00003 2.07024 R17 2.07665 -0.00002 0.00000 -0.00007 -0.00007 2.07658 R18 4.42328 0.00003 0.00000 0.01168 0.01169 4.43497 R19 2.03575 -0.00002 0.00000 0.00001 0.00001 2.03577 R20 2.62451 -0.00015 0.00000 0.00068 0.00068 2.62519 R21 2.63236 -0.00001 0.00000 -0.00021 -0.00021 2.63216 R22 2.03575 -0.00002 0.00000 0.00003 0.00003 2.03578 R23 2.63234 -0.00001 0.00000 -0.00013 -0.00013 2.63221 R24 2.69275 -0.00032 0.00000 -0.00111 -0.00111 2.69164 R25 2.69276 -0.00032 0.00000 -0.00113 -0.00113 2.69162 R26 2.07510 -0.00006 0.00000 -0.00017 -0.00017 2.07493 R27 2.07629 0.00007 0.00000 -0.00014 -0.00014 2.07615 A1 2.08076 -0.00001 0.00000 -0.00003 -0.00003 2.08073 A2 2.01678 -0.00001 0.00000 -0.00039 -0.00039 2.01640 A3 1.73930 -0.00002 0.00000 0.00045 0.00045 1.73975 A4 2.09933 0.00002 0.00000 -0.00029 -0.00029 2.09904 A5 1.72699 0.00007 0.00000 0.00038 0.00038 1.72737 A6 1.63415 -0.00006 0.00000 0.00078 0.00078 1.63493 A7 2.09926 0.00001 0.00000 0.00008 0.00008 2.09934 A8 2.06773 -0.00002 0.00000 -0.00019 -0.00019 2.06754 A9 2.09016 0.00002 0.00000 0.00029 0.00029 2.09045 A10 2.09016 0.00002 0.00000 0.00030 0.00030 2.09046 A11 2.06775 -0.00002 0.00000 -0.00025 -0.00025 2.06750 A12 2.09926 0.00001 0.00000 0.00010 0.00010 2.09935 A13 2.08077 -0.00001 0.00000 -0.00006 -0.00006 2.08071 A14 2.09935 0.00002 0.00000 -0.00036 -0.00036 2.09899 A15 1.72695 0.00007 0.00000 0.00052 0.00052 1.72747 A16 2.01680 -0.00001 0.00000 -0.00042 -0.00042 2.01637 A17 1.73927 -0.00002 0.00000 0.00048 0.00048 1.73975 A18 1.63413 -0.00006 0.00000 0.00091 0.00091 1.63504 A19 1.87987 -0.00001 0.00000 -0.00022 -0.00022 1.87965 A20 1.90987 0.00000 0.00000 0.00061 0.00061 1.91048 A21 1.96775 0.00000 0.00000 -0.00016 -0.00016 1.96759 A22 1.84395 0.00003 0.00000 0.00038 0.00038 1.84433 A23 1.90712 -0.00001 0.00000 0.00027 0.00027 1.90739 A24 1.94986 -0.00001 0.00000 -0.00082 -0.00082 1.94904 A25 2.15477 0.00002 0.00000 0.00105 0.00104 2.15581 A26 1.96775 0.00000 0.00000 -0.00017 -0.00017 1.96758 A27 1.90986 0.00000 0.00000 0.00062 0.00062 1.91048 A28 1.87986 -0.00001 0.00000 -0.00020 -0.00020 1.87966 A29 1.94986 -0.00001 0.00000 -0.00082 -0.00082 1.94904 A30 1.90712 -0.00001 0.00000 0.00026 0.00026 1.90738 A31 1.84396 0.00003 0.00000 0.00036 0.00036 1.84432 A32 2.15477 0.00002 0.00000 0.00107 0.00106 2.15583 A33 1.54504 -0.00007 0.00000 -0.00044 -0.00044 1.54460 A34 1.86433 -0.00002 0.00000 -0.00013 -0.00013 1.86420 A35 1.86184 0.00011 0.00000 0.00297 0.00297 1.86481 A36 2.21947 0.00003 0.00000 -0.00096 -0.00096 2.21851 A37 1.99487 -0.00001 0.00000 -0.00011 -0.00011 1.99476 A38 1.90248 -0.00002 0.00000 -0.00022 -0.00022 1.90226 A39 1.86428 -0.00002 0.00000 0.00003 0.00003 1.86431 A40 1.54496 -0.00007 0.00000 -0.00020 -0.00020 1.54476 A41 1.86181 0.00011 0.00000 0.00302 0.00302 1.86483 A42 2.21950 0.00003 0.00000 -0.00108 -0.00108 2.21843 A43 1.90251 -0.00002 0.00000 -0.00030 -0.00030 1.90221 A44 1.99489 -0.00001 0.00000 -0.00019 -0.00019 1.99470 A45 1.86547 -0.00006 0.00000 -0.00002 -0.00002 1.86545 A46 1.86546 -0.00006 0.00000 0.00000 0.00000 1.86546 A47 1.87363 0.00017 0.00000 0.00068 0.00068 1.87431 A48 1.91580 -0.00001 0.00000 0.00037 0.00037 1.91616 A49 1.91911 -0.00013 0.00000 -0.00113 -0.00113 1.91798 A50 1.91579 -0.00001 0.00000 0.00039 0.00039 1.91618 A51 1.91911 -0.00013 0.00000 -0.00111 -0.00111 1.91800 A52 1.91989 0.00011 0.00000 0.00079 0.00079 1.92069 A53 1.06129 -0.00005 0.00000 -0.00403 -0.00402 1.05727 A54 1.82261 0.00011 0.00000 0.00109 0.00109 1.82370 A55 1.82260 0.00011 0.00000 0.00108 0.00108 1.82368 D1 0.09831 -0.00001 0.00000 -0.00022 -0.00022 0.09809 D2 2.99622 0.00000 0.00000 0.00061 0.00061 2.99683 D3 2.78645 0.00000 0.00000 -0.00207 -0.00207 2.78438 D4 -0.59883 0.00001 0.00000 -0.00124 -0.00124 -0.60007 D5 -1.75899 -0.00003 0.00000 -0.00099 -0.00099 -1.75998 D6 1.13892 -0.00002 0.00000 -0.00016 -0.00016 1.13876 D7 -3.01202 0.00001 0.00000 -0.00054 -0.00054 -3.01256 D8 -0.83066 -0.00001 0.00000 -0.00126 -0.00127 -0.83193 D9 1.16577 0.00002 0.00000 -0.00063 -0.00063 1.16514 D10 0.56719 0.00000 0.00000 0.00116 0.00116 0.56836 D11 2.74855 -0.00001 0.00000 0.00044 0.00044 2.74899 D12 -1.53820 0.00002 0.00000 0.00107 0.00107 -1.53713 D13 -1.22290 -0.00005 0.00000 0.00029 0.00029 -1.22261 D14 0.95846 -0.00006 0.00000 -0.00043 -0.00043 0.95802 D15 2.95489 -0.00003 0.00000 0.00020 0.00020 2.95509 D16 -0.86935 -0.00001 0.00000 -0.00146 -0.00146 -0.87081 D17 -3.11341 -0.00001 0.00000 -0.00026 -0.00026 -3.11367 D18 1.13706 -0.00003 0.00000 -0.00139 -0.00139 1.13567 D19 1.25775 0.00000 0.00000 -0.00125 -0.00125 1.25650 D20 -0.98631 0.00000 0.00000 -0.00005 -0.00005 -0.98636 D21 -3.01903 -0.00002 0.00000 -0.00118 -0.00118 -3.02021 D22 -2.90603 0.00002 0.00000 -0.00131 -0.00131 -2.90734 D23 1.13309 0.00002 0.00000 -0.00010 -0.00010 1.13298 D24 -0.89963 0.00000 0.00000 -0.00124 -0.00124 -0.90086 D25 -2.89920 -0.00001 0.00000 -0.00080 -0.00080 -2.90001 D26 0.00004 0.00000 0.00000 -0.00010 -0.00010 -0.00007 D27 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D28 2.89925 0.00001 0.00000 0.00069 0.00069 2.89994 D29 -2.99618 0.00000 0.00000 -0.00073 -0.00073 -2.99692 D30 0.59876 -0.00001 0.00000 0.00146 0.00146 0.60022 D31 -1.13894 0.00002 0.00000 0.00014 0.00014 -1.13879 D32 -0.09824 0.00001 0.00000 0.00000 0.00000 -0.09825 D33 -2.78648 0.00000 0.00000 0.00219 0.00219 -2.78430 D34 1.75900 0.00003 0.00000 0.00088 0.00088 1.75988 D35 1.53825 -0.00002 0.00000 -0.00133 -0.00133 1.53692 D36 -2.74850 0.00001 0.00000 -0.00069 -0.00069 -2.74919 D37 -0.56714 0.00000 0.00000 -0.00142 -0.00142 -0.56856 D38 -1.16581 -0.00002 0.00000 0.00069 0.00069 -1.16512 D39 0.83062 0.00001 0.00000 0.00133 0.00133 0.83195 D40 3.01198 -0.00001 0.00000 0.00060 0.00060 3.01258 D41 -2.95490 0.00003 0.00000 -0.00023 -0.00023 -2.95513 D42 -0.95847 0.00006 0.00000 0.00041 0.00041 -0.95805 D43 1.22289 0.00005 0.00000 -0.00032 -0.00032 1.22258 D44 0.98633 0.00000 0.00000 0.00006 0.00006 0.98639 D45 -1.25774 0.00000 0.00000 0.00127 0.00127 -1.25647 D46 3.01904 0.00002 0.00000 0.00120 0.00120 3.02024 D47 3.11341 0.00001 0.00000 0.00029 0.00029 3.11370 D48 0.86935 0.00001 0.00000 0.00150 0.00150 0.87085 D49 -1.13706 0.00003 0.00000 0.00143 0.00143 -1.13563 D50 -1.13308 -0.00002 0.00000 0.00013 0.00013 -1.13295 D51 2.90604 -0.00002 0.00000 0.00135 0.00135 2.90738 D52 0.89963 0.00000 0.00000 0.00127 0.00127 0.90091 D53 1.77944 -0.00005 0.00000 -0.00549 -0.00549 1.77395 D54 -2.48428 -0.00004 0.00000 -0.00525 -0.00525 -2.48953 D55 -0.41225 -0.00004 0.00000 -0.00514 -0.00514 -0.41739 D56 -0.00002 0.00000 0.00000 0.00013 0.00013 0.00011 D57 -2.15941 0.00001 0.00000 0.00008 0.00008 -2.15934 D58 2.08970 -0.00001 0.00000 -0.00004 -0.00004 2.08965 D59 -2.08975 0.00001 0.00000 0.00033 0.00033 -2.08942 D60 2.03405 0.00002 0.00000 0.00027 0.00027 2.03432 D61 -0.00003 0.00000 0.00000 0.00015 0.00015 0.00012 D62 2.15937 -0.00001 0.00000 0.00018 0.00018 2.15955 D63 -0.00002 0.00000 0.00000 0.00013 0.00013 0.00011 D64 -2.03409 -0.00002 0.00000 0.00000 0.00001 -2.03409 D65 0.44625 0.00004 0.00000 0.00515 0.00515 0.45140 D66 -1.27607 -0.00002 0.00000 0.00518 0.00518 -1.27089 D67 -1.77942 0.00005 0.00000 0.00530 0.00530 -1.77412 D68 0.41228 0.00004 0.00000 0.00494 0.00495 0.41722 D69 2.48431 0.00004 0.00000 0.00504 0.00504 2.48935 D70 -0.44627 -0.00004 0.00000 -0.00506 -0.00506 -0.45133 D71 1.27608 0.00002 0.00000 -0.00507 -0.00508 1.27101 D72 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 D73 1.76731 -0.00010 0.00000 -0.00073 -0.00073 1.76658 D74 -2.00549 -0.00011 0.00000 -0.00339 -0.00339 -2.00888 D75 -1.76745 0.00010 0.00000 0.00113 0.00113 -1.76632 D76 -0.00013 0.00000 0.00000 0.00039 0.00039 0.00026 D77 2.51026 -0.00001 0.00000 -0.00226 -0.00226 2.50800 D78 2.00551 0.00011 0.00000 0.00329 0.00329 2.00880 D79 -2.51036 0.00001 0.00000 0.00256 0.00256 -2.50780 D80 0.00003 0.00000 0.00000 -0.00010 -0.00010 -0.00007 D81 1.90749 0.00008 0.00000 0.00184 0.00185 1.90933 D82 -2.69897 0.00004 0.00000 0.00275 0.00275 -2.69622 D83 -0.09963 0.00005 0.00000 0.00056 0.00056 -0.09908 D84 -1.90749 -0.00008 0.00000 -0.00186 -0.00186 -1.90934 D85 0.09959 -0.00005 0.00000 -0.00040 -0.00040 0.09919 D86 2.69906 -0.00005 0.00000 -0.00303 -0.00303 2.69603 D87 0.15942 -0.00006 0.00000 -0.00071 -0.00071 0.15870 D88 2.24090 0.00002 0.00000 0.00036 0.00036 2.24126 D89 -1.92793 0.00007 0.00000 0.00086 0.00086 -1.92707 D90 -0.15940 0.00006 0.00000 0.00065 0.00065 -0.15875 D91 -2.24089 -0.00002 0.00000 -0.00041 -0.00041 -2.24130 D92 1.92795 -0.00007 0.00000 -0.00093 -0.00093 1.92702 D93 1.57957 0.00002 0.00000 -0.00218 -0.00218 1.57738 D94 0.47984 0.00003 0.00000 0.00168 0.00168 0.48152 D95 -0.47985 -0.00003 0.00000 -0.00167 -0.00166 -0.48151 D96 -1.57958 -0.00002 0.00000 0.00220 0.00220 -1.57738 D97 -2.59173 -0.00001 0.00000 -0.00195 -0.00194 -2.59367 D98 2.59173 0.00001 0.00000 0.00192 0.00192 2.59365 Item Value Threshold Converged? Maximum Force 0.000322 0.000450 YES RMS Force 0.000062 0.000300 YES Maximum Displacement 0.009834 0.001800 NO RMS Displacement 0.001861 0.001200 NO Predicted change in Energy=-2.791416D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.176591 1.364647 0.116277 2 1 0 -1.074910 2.444883 0.022267 3 6 0 -2.118866 0.703738 -0.656867 4 1 0 -2.684591 1.244046 -1.413455 5 6 0 -2.118784 -0.704052 -0.656702 6 1 0 -2.684442 -1.244609 -1.413159 7 6 0 -1.176352 -1.364633 0.116560 8 1 0 -1.074590 -2.444890 0.022865 9 6 0 -0.728379 -0.778904 1.440162 10 1 0 -1.416737 -1.141760 2.216069 11 1 0 0.254899 -1.183397 1.704208 12 6 0 -0.728434 0.779290 1.439968 13 1 0 0.254844 1.183923 1.703808 14 1 0 -1.416726 1.142287 2.215872 15 6 0 0.740024 0.694471 -0.998920 16 1 0 0.460439 1.344340 -1.811346 17 6 0 0.739996 -0.694720 -0.998698 18 1 0 0.460580 -1.344770 -1.811046 19 8 0 1.822736 1.147855 -0.249064 20 8 0 1.822782 -1.147847 -0.248742 21 6 0 2.430317 0.000092 0.335975 22 1 0 3.507358 0.000090 0.122435 23 1 0 2.261618 0.000251 1.421597 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089076 0.000000 3 C 1.386519 2.140713 0.000000 4 H 2.151438 2.468679 1.088302 0.000000 5 C 2.400987 3.386216 1.407790 2.165156 0.000000 6 H 3.379497 4.273569 2.165158 2.488655 1.088301 7 C 2.729279 3.812032 2.400975 3.379487 1.386535 8 H 3.812046 4.889772 3.386208 4.273565 2.140716 9 C 2.558979 3.538829 2.920482 4.007770 2.517075 10 H 3.278547 4.218248 3.486059 4.524706 2.989526 11 H 3.326141 4.214467 3.843268 4.924723 3.382016 12 C 1.515139 2.214525 2.517087 3.490640 2.920514 13 H 2.145209 2.487136 3.381991 4.284999 3.843249 14 H 2.124949 2.574005 2.989642 3.845758 3.486192 15 C 2.316510 2.720432 2.879295 3.493116 3.200900 16 H 2.529034 2.632608 2.897587 3.171685 3.490201 17 C 3.026131 3.767407 3.200879 3.957098 2.879179 18 H 3.706190 4.481097 3.490280 4.092938 2.897611 19 O 3.029264 3.186261 3.987452 4.656292 4.373935 20 O 3.929644 4.623610 4.373959 5.233938 3.987396 21 C 3.862650 4.285094 4.709132 5.547090 4.709092 22 H 4.878671 5.194634 5.723358 6.499739 5.723316 23 H 3.922591 4.366551 4.899342 5.835197 4.899315 6 7 8 9 10 6 H 0.000000 7 C 2.151461 0.000000 8 H 2.468697 1.089077 0.000000 9 C 3.490631 1.515150 2.214520 0.000000 10 H 3.845640 2.124945 2.573976 1.098878 0.000000 11 H 4.285026 2.145215 2.487130 1.095522 1.748743 12 C 4.007801 2.558993 3.538833 1.558194 2.183238 13 H 4.924698 3.326081 4.214409 2.211092 2.909536 14 H 4.524847 3.278648 4.218314 2.183237 2.284047 15 C 3.957094 3.026004 3.767288 3.205646 4.284801 16 H 4.092857 3.706000 4.480949 4.061251 5.091616 17 C 3.492983 2.316241 2.720186 2.848026 3.896931 18 H 3.171673 2.528954 2.632536 3.507732 4.447830 19 O 5.233895 3.929479 4.623447 3.615809 4.670482 20 O 4.656211 3.029066 3.186041 3.081710 4.070604 21 C 5.547027 3.862470 4.284898 3.435611 4.431524 22 H 6.499670 4.878487 5.194429 4.503854 5.471183 23 H 5.835154 3.922456 4.366400 3.089904 3.932642 11 12 13 14 15 11 H 0.000000 12 C 2.211088 0.000000 13 H 2.367320 1.095525 0.000000 14 H 2.909456 1.098880 1.748739 0.000000 15 C 3.326956 2.848112 2.789212 3.897050 0.000000 16 H 4.334838 3.507670 3.524813 4.447815 1.077281 17 C 2.789234 3.205634 3.326892 4.284799 1.389190 18 H 3.524962 4.061340 4.334837 5.091738 2.212722 19 O 3.421713 3.081744 2.504655 4.070634 1.392877 20 O 2.504702 3.615841 3.421700 4.670487 2.264788 21 C 2.829338 3.435646 2.829329 4.431518 2.263006 22 H 3.805409 4.503886 3.805397 5.471169 3.065573 23 H 2.346873 3.089928 2.346884 3.932599 2.942124 16 17 18 19 20 16 H 0.000000 17 C 2.212761 0.000000 18 H 2.689110 1.077287 0.000000 19 O 2.082111 2.264809 3.241671 0.000000 20 O 3.241713 1.392905 2.082106 2.295702 0.000000 21 C 3.209114 2.263030 3.209084 1.424354 1.424345 22 H 3.851004 3.065614 3.850954 2.072034 2.072035 23 H 3.937352 2.942133 3.937359 2.073817 2.073822 21 22 23 21 C 0.000000 22 H 1.098006 0.000000 23 H 1.098650 1.799914 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.194395 -1.364645 0.078488 2 1 0 1.089620 -2.444884 -0.012027 3 6 0 2.110235 -0.703763 -0.725817 4 1 0 2.650290 -1.244096 -1.500919 5 6 0 2.110159 0.704027 -0.725695 6 1 0 2.650153 1.244558 -1.500700 7 6 0 1.194167 1.364635 0.078690 8 1 0 1.089324 2.444889 -0.011578 9 6 0 0.790797 0.778950 1.416578 10 1 0 1.504768 1.141830 2.168972 11 1 0 -0.183081 1.183453 1.713410 12 6 0 0.790845 -0.779244 1.416434 13 1 0 -0.183042 -1.183867 1.713085 14 1 0 1.504748 -1.142217 2.168850 15 6 0 -0.758511 -0.694502 -0.971883 16 1 0 -0.506306 -1.344397 -1.793200 17 6 0 -0.758475 0.694689 -0.971708 18 1 0 -0.506436 1.344712 -1.792983 19 8 0 -1.815490 -1.147859 -0.186154 20 8 0 -1.815523 1.147843 -0.185906 21 6 0 -2.403125 -0.000076 0.418878 22 1 0 -3.486716 -0.000079 0.241547 23 1 0 -2.198144 -0.000200 1.498237 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100648 1.0129582 0.9488545 Standard basis: 6-31G(d) (6D, 7F) There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5604290589 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000061 -0.000345 -0.000015 Ang= -0.04 deg. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668685 A.U. after 9 cycles NFock= 9 Conv=0.55D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000099779 -0.000009355 0.000022359 2 1 0.000027112 -0.000005637 -0.000013479 3 6 0.000030074 0.000052381 0.000003709 4 1 -0.000005011 0.000004297 0.000008254 5 6 0.000036375 -0.000053227 0.000005750 6 1 -0.000004801 -0.000004549 0.000007972 7 6 -0.000108118 0.000011107 0.000024202 8 1 0.000029387 0.000005995 -0.000014703 9 6 0.000006503 -0.000002504 -0.000037010 10 1 -0.000012213 -0.000000424 -0.000006304 11 1 -0.000002943 0.000010258 0.000047232 12 6 0.000006139 0.000002051 -0.000034264 13 1 -0.000004096 -0.000010428 0.000046270 14 1 -0.000011873 0.000000240 -0.000006433 15 6 0.000048202 -0.000130478 -0.000032444 16 1 -0.000021865 0.000017836 0.000030556 17 6 0.000059993 0.000131557 -0.000036535 18 1 -0.000024630 -0.000017766 0.000032948 19 8 -0.000011191 0.000069761 -0.000020938 20 8 -0.000013235 -0.000070246 -0.000019797 21 6 0.000095664 -0.000000385 -0.000003275 22 1 -0.000003149 -0.000000440 -0.000014748 23 1 -0.000016545 -0.000000046 0.000010680 ------------------------------------------------------------------- Cartesian Forces: Max 0.000131557 RMS 0.000039523 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000049914 RMS 0.000012918 Search for a saddle point. Step number 5 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 ITU= 0 0 0 0 0 Eigenvalues --- -0.04019 0.00053 0.00103 0.00208 0.00369 Eigenvalues --- 0.00461 0.01368 0.01439 0.01478 0.01492 Eigenvalues --- 0.01811 0.01977 0.02290 0.02358 0.02508 Eigenvalues --- 0.02905 0.03107 0.03310 0.03318 0.03725 Eigenvalues --- 0.04103 0.04285 0.04725 0.05001 0.05274 Eigenvalues --- 0.05287 0.05447 0.05478 0.06161 0.06462 Eigenvalues --- 0.08225 0.08322 0.08875 0.09331 0.11185 Eigenvalues --- 0.11771 0.12150 0.12713 0.15477 0.16191 Eigenvalues --- 0.16906 0.18892 0.23027 0.23903 0.25515 Eigenvalues --- 0.26022 0.27565 0.28223 0.29802 0.30385 Eigenvalues --- 0.30981 0.32063 0.33287 0.33982 0.35163 Eigenvalues --- 0.35184 0.36041 0.36145 0.38802 0.38923 Eigenvalues --- 0.40704 0.40977 0.43195 Eigenvectors required to have negative eigenvalues: R4 R11 D77 D79 D82 1 -0.56770 -0.56560 -0.16976 0.16877 0.14642 D86 R20 D75 D73 D4 1 -0.14549 0.13202 -0.11851 0.11720 -0.10496 RFO step: Lambda0=2.271508742D-07 Lambda=-1.00147869D-06. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00118753 RMS(Int)= 0.00000160 Iteration 2 RMS(Cart)= 0.00000129 RMS(Int)= 0.00000079 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000079 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05806 0.00000 0.00000 -0.00001 -0.00001 2.05805 R2 2.62014 -0.00004 0.00000 0.00027 0.00027 2.62041 R3 2.86320 -0.00001 0.00000 0.00000 0.00001 2.86320 R4 4.37757 0.00004 0.00000 -0.00310 -0.00310 4.37446 R5 2.05659 0.00000 0.00000 -0.00001 -0.00001 2.05658 R6 2.66034 0.00003 0.00000 -0.00006 -0.00006 2.66027 R7 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R8 2.62017 -0.00004 0.00000 0.00009 0.00009 2.62026 R9 2.05806 0.00000 0.00000 -0.00002 -0.00002 2.05804 R10 2.86322 -0.00001 0.00000 -0.00012 -0.00012 2.86310 R11 4.37706 0.00004 0.00000 -0.00024 -0.00024 4.37683 R12 2.07658 0.00000 0.00000 0.00004 0.00004 2.07661 R13 2.07024 0.00002 0.00000 0.00005 0.00005 2.07028 R14 2.94456 -0.00001 0.00000 -0.00007 -0.00007 2.94449 R15 4.43495 0.00001 0.00000 0.00863 0.00863 4.44357 R16 2.07024 0.00002 0.00000 0.00001 0.00001 2.07026 R17 2.07658 0.00000 0.00000 0.00001 0.00001 2.07659 R18 4.43497 0.00002 0.00000 0.00873 0.00873 4.44370 R19 2.03577 -0.00001 0.00000 0.00001 0.00001 2.03578 R20 2.62519 -0.00005 0.00000 0.00005 0.00005 2.62524 R21 2.63216 0.00002 0.00000 0.00020 0.00020 2.63236 R22 2.03578 -0.00001 0.00000 -0.00006 -0.00006 2.03572 R23 2.63221 0.00002 0.00000 -0.00010 -0.00010 2.63211 R24 2.69164 0.00003 0.00000 0.00029 0.00028 2.69192 R25 2.69162 0.00003 0.00000 0.00038 0.00038 2.69201 R26 2.07493 0.00000 0.00000 -0.00001 -0.00001 2.07492 R27 2.07615 0.00005 0.00000 0.00002 0.00002 2.07616 A1 2.08073 0.00000 0.00000 0.00009 0.00009 2.08082 A2 2.01640 0.00000 0.00000 -0.00004 -0.00004 2.01636 A3 1.73975 -0.00001 0.00000 -0.00048 -0.00048 1.73927 A4 2.09904 0.00000 0.00000 -0.00049 -0.00049 2.09855 A5 1.72737 0.00000 0.00000 0.00023 0.00023 1.72760 A6 1.63493 0.00000 0.00000 0.00123 0.00123 1.63616 A7 2.09934 0.00000 0.00000 0.00009 0.00009 2.09943 A8 2.06754 0.00000 0.00000 -0.00022 -0.00022 2.06731 A9 2.09045 0.00001 0.00000 0.00010 0.00010 2.09055 A10 2.09046 0.00000 0.00000 0.00007 0.00007 2.09053 A11 2.06750 0.00000 0.00000 -0.00001 -0.00001 2.06749 A12 2.09935 0.00000 0.00000 0.00000 0.00000 2.09935 A13 2.08071 0.00000 0.00000 0.00020 0.00020 2.08090 A14 2.09899 0.00000 0.00000 -0.00018 -0.00019 2.09881 A15 1.72747 0.00000 0.00000 -0.00034 -0.00034 1.72713 A16 2.01637 0.00000 0.00000 0.00010 0.00010 2.01647 A17 1.73975 -0.00001 0.00000 -0.00050 -0.00050 1.73925 A18 1.63504 0.00000 0.00000 0.00060 0.00060 1.63563 A19 1.87965 -0.00001 0.00000 -0.00020 -0.00020 1.87945 A20 1.91048 0.00001 0.00000 0.00063 0.00063 1.91111 A21 1.96759 0.00000 0.00000 -0.00008 -0.00008 1.96751 A22 1.84433 0.00000 0.00000 -0.00011 -0.00011 1.84422 A23 1.90739 0.00000 0.00000 -0.00012 -0.00012 1.90727 A24 1.94904 -0.00001 0.00000 -0.00013 -0.00014 1.94890 A25 2.15581 0.00001 0.00000 0.00013 0.00013 2.15594 A26 1.96758 0.00000 0.00000 -0.00004 -0.00004 1.96754 A27 1.91048 0.00001 0.00000 0.00063 0.00063 1.91111 A28 1.87966 -0.00001 0.00000 -0.00031 -0.00031 1.87936 A29 1.94904 -0.00001 0.00000 -0.00015 -0.00016 1.94888 A30 1.90738 0.00000 0.00000 -0.00010 -0.00010 1.90728 A31 1.84432 0.00000 0.00000 -0.00004 -0.00004 1.84428 A32 2.15583 0.00001 0.00000 -0.00005 -0.00006 2.15577 A33 1.54460 -0.00002 0.00000 -0.00004 -0.00004 1.54456 A34 1.86420 0.00000 0.00000 0.00038 0.00038 1.86458 A35 1.86481 0.00000 0.00000 0.00081 0.00081 1.86562 A36 2.21851 0.00001 0.00000 -0.00026 -0.00026 2.21825 A37 1.99476 -0.00002 0.00000 -0.00036 -0.00036 1.99440 A38 1.90226 0.00002 0.00000 -0.00006 -0.00006 1.90220 A39 1.86431 0.00000 0.00000 -0.00026 -0.00026 1.86405 A40 1.54476 -0.00002 0.00000 -0.00098 -0.00098 1.54378 A41 1.86483 0.00000 0.00000 0.00066 0.00066 1.86549 A42 2.21843 0.00001 0.00000 0.00022 0.00022 2.21865 A43 1.90221 0.00002 0.00000 0.00025 0.00025 1.90246 A44 1.99470 -0.00002 0.00000 -0.00005 -0.00005 1.99465 A45 1.86545 -0.00001 0.00000 0.00004 0.00004 1.86548 A46 1.86546 -0.00002 0.00000 -0.00002 -0.00002 1.86544 A47 1.87431 0.00000 0.00000 0.00000 0.00000 1.87431 A48 1.91616 0.00000 0.00000 0.00002 0.00002 1.91618 A49 1.91798 -0.00001 0.00000 -0.00004 -0.00004 1.91794 A50 1.91618 0.00000 0.00000 -0.00006 -0.00006 1.91612 A51 1.91800 -0.00001 0.00000 -0.00014 -0.00014 1.91786 A52 1.92069 0.00002 0.00000 0.00022 0.00022 1.92090 A53 1.05727 -0.00001 0.00000 -0.00244 -0.00244 1.05483 A54 1.82370 0.00001 0.00000 -0.00024 -0.00024 1.82345 A55 1.82368 0.00001 0.00000 -0.00009 -0.00009 1.82358 D1 0.09809 -0.00001 0.00000 -0.00019 -0.00019 0.09791 D2 2.99683 -0.00001 0.00000 -0.00031 -0.00031 2.99652 D3 2.78438 0.00000 0.00000 -0.00127 -0.00127 2.78311 D4 -0.60007 0.00000 0.00000 -0.00139 -0.00139 -0.60146 D5 -1.75998 0.00000 0.00000 0.00021 0.00021 -1.75976 D6 1.13876 0.00000 0.00000 0.00009 0.00009 1.13885 D7 -3.01256 0.00001 0.00000 0.00053 0.00053 -3.01203 D8 -0.83193 0.00001 0.00000 0.00077 0.00077 -0.83116 D9 1.16514 0.00001 0.00000 0.00089 0.00089 1.16603 D10 0.56836 0.00000 0.00000 0.00153 0.00153 0.56989 D11 2.74899 0.00000 0.00000 0.00178 0.00178 2.75077 D12 -1.53713 0.00000 0.00000 0.00189 0.00189 -1.53524 D13 -1.22261 0.00000 0.00000 0.00060 0.00060 -1.22201 D14 0.95802 0.00000 0.00000 0.00085 0.00085 0.95887 D15 2.95509 0.00000 0.00000 0.00096 0.00096 2.95605 D16 -0.87081 0.00001 0.00000 -0.00044 -0.00044 -0.87125 D17 -3.11367 0.00000 0.00000 -0.00022 -0.00022 -3.11389 D18 1.13567 -0.00002 0.00000 -0.00073 -0.00073 1.13494 D19 1.25650 0.00000 0.00000 -0.00041 -0.00041 1.25608 D20 -0.98636 0.00000 0.00000 -0.00020 -0.00020 -0.98656 D21 -3.02021 -0.00002 0.00000 -0.00071 -0.00071 -3.02092 D22 -2.90734 0.00001 0.00000 -0.00060 -0.00060 -2.90794 D23 1.13298 0.00000 0.00000 -0.00038 -0.00038 1.13260 D24 -0.90086 -0.00002 0.00000 -0.00089 -0.00089 -0.90176 D25 -2.90001 0.00000 0.00000 0.00013 0.00013 -2.89988 D26 -0.00007 0.00000 0.00000 0.00038 0.00038 0.00032 D27 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D28 2.89994 0.00000 0.00000 0.00026 0.00026 2.90020 D29 -2.99692 0.00001 0.00000 0.00081 0.00081 -2.99611 D30 0.60022 0.00000 0.00000 0.00051 0.00051 0.60073 D31 -1.13879 0.00000 0.00000 0.00006 0.00006 -1.13873 D32 -0.09825 0.00001 0.00000 0.00107 0.00107 -0.09717 D33 -2.78430 0.00000 0.00000 0.00078 0.00078 -2.78352 D34 1.75988 0.00000 0.00000 0.00033 0.00033 1.76021 D35 1.53692 0.00000 0.00000 -0.00062 -0.00062 1.53630 D36 -2.74919 0.00000 0.00000 -0.00053 -0.00053 -2.74972 D37 -0.56856 0.00000 0.00000 -0.00029 -0.00029 -0.56885 D38 -1.16512 -0.00001 0.00000 -0.00094 -0.00094 -1.16606 D39 0.83195 -0.00001 0.00000 -0.00085 -0.00085 0.83110 D40 3.01258 -0.00001 0.00000 -0.00061 -0.00061 3.01197 D41 -2.95513 0.00000 0.00000 -0.00069 -0.00069 -2.95582 D42 -0.95805 0.00000 0.00000 -0.00060 -0.00060 -0.95866 D43 1.22258 0.00000 0.00000 -0.00036 -0.00036 1.22222 D44 0.98639 0.00000 0.00000 0.00007 0.00007 0.98645 D45 -1.25647 0.00000 0.00000 0.00025 0.00025 -1.25622 D46 3.02024 0.00002 0.00000 0.00054 0.00054 3.02078 D47 3.11370 0.00000 0.00000 0.00002 0.00002 3.11373 D48 0.87085 -0.00001 0.00000 0.00021 0.00020 0.87106 D49 -1.13563 0.00002 0.00000 0.00050 0.00050 -1.13513 D50 -1.13295 0.00000 0.00000 0.00018 0.00018 -1.13277 D51 2.90738 -0.00001 0.00000 0.00036 0.00036 2.90775 D52 0.90091 0.00002 0.00000 0.00066 0.00066 0.90156 D53 1.77395 -0.00001 0.00000 -0.00283 -0.00283 1.77112 D54 -2.48953 -0.00001 0.00000 -0.00282 -0.00282 -2.49235 D55 -0.41739 -0.00001 0.00000 -0.00310 -0.00310 -0.42049 D56 0.00011 0.00000 0.00000 -0.00067 -0.00067 -0.00056 D57 -2.15934 -0.00001 0.00000 -0.00135 -0.00136 -2.16069 D58 2.08965 -0.00001 0.00000 -0.00115 -0.00115 2.08850 D59 -2.08942 0.00001 0.00000 -0.00029 -0.00029 -2.08971 D60 2.03432 0.00000 0.00000 -0.00097 -0.00098 2.03334 D61 0.00012 0.00000 0.00000 -0.00077 -0.00077 -0.00065 D62 2.15955 0.00001 0.00000 0.00000 0.00000 2.15955 D63 0.00011 0.00000 0.00000 -0.00069 -0.00069 -0.00058 D64 -2.03409 0.00000 0.00000 -0.00049 -0.00049 -2.03457 D65 0.45140 0.00001 0.00000 0.00341 0.00341 0.45482 D66 -1.27089 0.00001 0.00000 0.00382 0.00381 -1.26708 D67 -1.77412 0.00001 0.00000 0.00384 0.00384 -1.77028 D68 0.41722 0.00001 0.00000 0.00415 0.00415 0.42137 D69 2.48935 0.00001 0.00000 0.00392 0.00392 2.49327 D70 -0.45133 -0.00001 0.00000 -0.00387 -0.00387 -0.45520 D71 1.27101 -0.00001 0.00000 -0.00454 -0.00454 1.26647 D72 -0.00001 0.00000 0.00000 0.00003 0.00003 0.00003 D73 1.76658 -0.00002 0.00000 -0.00140 -0.00140 1.76518 D74 -2.00888 -0.00001 0.00000 -0.00072 -0.00072 -2.00959 D75 -1.76632 0.00002 0.00000 -0.00011 -0.00011 -1.76643 D76 0.00026 0.00000 0.00000 -0.00154 -0.00154 -0.00127 D77 2.50800 0.00001 0.00000 -0.00086 -0.00086 2.50714 D78 2.00880 0.00001 0.00000 0.00115 0.00115 2.00995 D79 -2.50780 -0.00001 0.00000 -0.00028 -0.00028 -2.50808 D80 -0.00007 0.00000 0.00000 0.00039 0.00039 0.00033 D81 1.90933 0.00001 0.00000 0.00118 0.00118 1.91052 D82 -2.69622 -0.00002 0.00000 0.00140 0.00140 -2.69482 D83 -0.09908 0.00000 0.00000 0.00035 0.00035 -0.09873 D84 -1.90934 -0.00001 0.00000 -0.00114 -0.00114 -1.91048 D85 0.09919 0.00000 0.00000 -0.00098 -0.00098 0.09821 D86 2.69603 0.00002 0.00000 -0.00031 -0.00031 2.69573 D87 0.15870 0.00000 0.00000 -0.00095 -0.00095 0.15775 D88 2.24126 0.00000 0.00000 -0.00101 -0.00101 2.24025 D89 -1.92707 0.00002 0.00000 -0.00076 -0.00076 -1.92783 D90 -0.15875 0.00000 0.00000 0.00119 0.00119 -0.15755 D91 -2.24130 0.00000 0.00000 0.00121 0.00120 -2.24009 D92 1.92702 -0.00002 0.00000 0.00106 0.00106 1.92808 D93 1.57738 -0.00001 0.00000 -0.00137 -0.00137 1.57602 D94 0.48152 -0.00001 0.00000 0.00123 0.00123 0.48275 D95 -0.48151 0.00001 0.00000 -0.00126 -0.00126 -0.48277 D96 -1.57738 0.00001 0.00000 0.00134 0.00134 -1.57604 D97 -2.59367 0.00000 0.00000 -0.00124 -0.00124 -2.59491 D98 2.59365 0.00000 0.00000 0.00137 0.00136 2.59501 Item Value Threshold Converged? Maximum Force 0.000050 0.000450 YES RMS Force 0.000013 0.000300 YES Maximum Displacement 0.006555 0.001800 NO RMS Displacement 0.001187 0.001200 YES Predicted change in Energy=-3.871612D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.175748 1.364390 0.116087 2 1 0 -1.073462 2.444557 0.022000 3 6 0 -2.118329 0.703754 -0.657169 4 1 0 -2.683854 1.244175 -1.413815 5 6 0 -2.118439 -0.704002 -0.656896 6 1 0 -2.684060 -1.244607 -1.413349 7 6 0 -1.176348 -1.364662 0.116800 8 1 0 -1.074015 -2.444830 0.022829 9 6 0 -0.729472 -0.779017 1.440736 10 1 0 -1.418797 -1.141738 2.215875 11 1 0 0.253492 -1.183359 1.706277 12 6 0 -0.729546 0.779141 1.440489 13 1 0 0.253219 1.183638 1.706471 14 1 0 -1.419400 1.142052 2.215054 15 6 0 0.739579 0.694614 -0.998154 16 1 0 0.459918 1.344312 -1.810699 17 6 0 0.739969 -0.694602 -0.998162 18 1 0 0.459733 -1.344772 -1.810090 19 8 0 1.823036 1.148156 -0.249270 20 8 0 1.823238 -1.147833 -0.249067 21 6 0 2.431890 0.000294 0.334615 22 1 0 3.508507 0.000337 0.118966 23 1 0 2.265081 0.000332 1.420536 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089071 0.000000 3 C 1.386660 2.140891 0.000000 4 H 2.151613 2.468977 1.088295 0.000000 5 C 2.400920 3.386193 1.407756 2.165182 0.000000 6 H 3.379504 4.273662 2.165172 2.488782 1.088303 7 C 2.729052 3.811788 2.400979 3.379554 1.386583 8 H 3.811720 4.889388 3.386233 4.273674 2.140871 9 C 2.558916 3.538725 2.920401 4.007665 2.516926 10 H 3.278545 4.218276 3.485623 4.524113 2.988967 11 H 3.326027 4.214187 3.843515 4.925028 3.382370 12 C 1.515141 2.214498 2.516858 3.490363 2.920233 13 H 2.145679 2.487457 3.382502 4.285586 3.843624 14 H 2.124726 2.574039 2.988356 3.844212 3.484920 15 C 2.314867 2.718479 2.878192 3.492089 3.200133 16 H 2.527510 2.630699 2.896256 3.170307 3.489238 17 C 3.025057 3.766110 3.200241 3.956538 2.878724 18 H 3.704661 4.479537 3.488851 4.091676 2.896103 19 O 3.028687 3.184955 3.987258 4.655904 4.373999 20 O 3.929188 4.622728 4.373885 5.233758 3.987497 21 C 3.863103 4.284815 4.709882 5.547530 4.710056 22 H 4.878820 5.194040 5.723501 6.499376 5.723685 23 H 3.924480 4.367609 4.901627 5.837178 4.901740 6 7 8 9 10 6 H 0.000000 7 C 2.151503 0.000000 8 H 2.468884 1.089067 0.000000 9 C 3.490414 1.515086 2.214521 0.000000 10 H 3.844833 2.124756 2.574175 1.098897 0.000000 11 H 4.285444 2.145635 2.487485 1.095546 1.748705 12 C 4.007502 2.558843 3.538702 1.558158 2.183132 13 H 4.925166 3.326341 4.214496 2.210952 2.909037 14 H 4.523363 3.278011 4.217922 2.183134 2.283790 15 C 3.956548 3.025644 3.766648 3.205914 4.284945 16 H 4.092064 3.705558 4.480220 4.061404 5.091494 17 C 3.492687 2.316116 2.719606 2.848615 3.897465 18 H 3.170311 2.527857 2.630989 3.507443 4.447301 19 O 5.233957 3.929957 4.623471 3.617377 4.672262 20 O 4.656249 3.029586 3.185938 3.083470 4.072685 21 C 5.547802 3.863927 4.285699 3.438756 4.435219 22 H 6.499674 4.879661 5.194958 4.507209 5.475370 23 H 5.837360 3.925095 4.368291 3.094372 3.937999 11 12 13 14 15 11 H 0.000000 12 C 2.210976 0.000000 13 H 2.366997 1.095532 0.000000 14 H 2.909460 1.098887 1.748724 0.000000 15 C 3.328215 2.848237 2.791180 3.896934 0.000000 16 H 4.335995 3.507772 3.526900 4.447407 1.077286 17 C 2.790974 3.205997 3.328626 4.284965 1.389217 18 H 3.526107 4.060992 4.336093 5.090895 2.212838 19 O 3.423974 3.083364 2.508089 4.072630 1.392985 20 O 2.507735 3.617256 3.424156 4.672276 2.264964 21 C 2.833357 3.438640 2.833532 4.435324 2.263244 22 H 3.809962 4.507111 3.810154 5.475523 3.065443 23 H 2.351438 3.094307 2.351502 3.938297 2.942660 16 17 18 19 20 16 H 0.000000 17 C 2.212649 0.000000 18 H 2.689084 1.077256 0.000000 19 O 2.081976 2.264868 3.241827 0.000000 20 O 3.241624 1.392851 2.082000 2.295989 0.000000 21 C 3.208961 2.263133 3.209107 1.424504 1.424549 22 H 3.850165 3.065243 3.850402 2.072173 2.072166 23 H 3.937737 2.942618 3.937706 2.073923 2.073905 21 22 23 21 C 0.000000 22 H 1.098001 0.000000 23 H 1.098658 1.800054 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.193472 -1.364501 0.078623 2 1 0 1.087889 -2.444705 -0.011305 3 6 0 2.109397 -0.704480 -0.726534 4 1 0 2.648863 -1.245441 -1.501598 5 6 0 2.109732 0.703276 -0.727096 6 1 0 2.649466 1.243340 -1.502609 7 6 0 1.194514 1.364551 0.077703 8 1 0 1.089219 2.444682 -0.013383 9 6 0 0.792689 0.779759 1.416374 10 1 0 1.507951 1.142814 2.167483 11 1 0 -0.180646 1.184426 1.714847 12 6 0 0.792516 -0.778399 1.417045 13 1 0 -0.180728 -1.182570 1.716430 14 1 0 1.508176 -1.140977 2.167991 15 6 0 -0.758426 -0.695046 -0.970440 16 1 0 -0.506573 -1.345267 -1.791615 17 6 0 -0.758604 0.694171 -0.971255 18 1 0 -0.505955 1.343817 -1.792601 19 8 0 -1.815941 -1.147961 -0.184988 20 8 0 -1.815785 1.148028 -0.186134 21 6 0 -2.404475 0.000347 0.418525 22 1 0 -3.487784 0.000365 0.239499 23 1 0 -2.200947 0.000916 1.498167 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100538 1.0126913 0.9486254 Standard basis: 6-31G(d) (6D, 7F) There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5223048317 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000285 -0.000192 0.000066 Ang= 0.04 deg. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668949 A.U. after 9 cycles NFock= 9 Conv=0.47D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000007168 -0.000014081 0.000003309 2 1 0.000002833 -0.000000627 -0.000007244 3 6 0.000014094 -0.000009236 -0.000000087 4 1 0.000000783 -0.000000317 -0.000001724 5 6 -0.000017691 0.000013978 -0.000007536 6 1 -0.000000559 0.000001426 -0.000000232 7 6 0.000031701 0.000004045 -0.000007070 8 1 -0.000007920 -0.000001316 -0.000000672 9 6 -0.000007320 -0.000004512 0.000018152 10 1 0.000003842 0.000001806 0.000000556 11 1 0.000006598 -0.000004926 -0.000011172 12 6 -0.000006405 0.000007274 0.000005781 13 1 0.000012293 0.000005811 -0.000007671 14 1 0.000003138 -0.000001017 0.000001851 15 6 0.000025877 0.000028253 0.000005170 16 1 -0.000004294 0.000002157 0.000004452 17 6 -0.000031046 -0.000032577 0.000024337 18 1 0.000009604 -0.000002064 -0.000007630 19 8 0.000008304 -0.000051360 0.000019274 20 8 0.000020235 0.000053405 0.000015010 21 6 -0.000045299 0.000001809 -0.000039767 22 1 -0.000001070 0.000002114 -0.000003483 23 1 -0.000010531 -0.000000046 -0.000003605 ------------------------------------------------------------------- Cartesian Forces: Max 0.000053405 RMS 0.000016136 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000045824 RMS 0.000006426 Search for a saddle point. Step number 6 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 6 ITU= 0 0 0 0 0 0 Eigenvalues --- -0.03930 0.00056 0.00118 0.00209 0.00369 Eigenvalues --- 0.00513 0.01368 0.01412 0.01475 0.01492 Eigenvalues --- 0.01795 0.01977 0.02290 0.02353 0.02509 Eigenvalues --- 0.02901 0.03107 0.03312 0.03319 0.03725 Eigenvalues --- 0.04110 0.04285 0.04726 0.04996 0.05274 Eigenvalues --- 0.05287 0.05447 0.05464 0.06154 0.06462 Eigenvalues --- 0.08225 0.08331 0.08876 0.09337 0.11185 Eigenvalues --- 0.11771 0.12150 0.12714 0.15478 0.16202 Eigenvalues --- 0.16907 0.18894 0.23009 0.23903 0.25517 Eigenvalues --- 0.26021 0.27563 0.28224 0.29804 0.30385 Eigenvalues --- 0.30981 0.32065 0.33288 0.33981 0.35163 Eigenvalues --- 0.35184 0.36041 0.36145 0.38802 0.38923 Eigenvalues --- 0.40705 0.40976 0.43196 Eigenvectors required to have negative eigenvalues: R4 R11 D77 D79 D82 1 -0.56733 -0.56273 -0.17251 0.17076 0.14924 D86 R20 D75 D73 D4 1 -0.14757 0.13151 -0.11671 0.11462 -0.10646 RFO step: Lambda0=1.111517927D-08 Lambda=-1.57534613D-07. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00050462 RMS(Int)= 0.00000041 Iteration 2 RMS(Cart)= 0.00000035 RMS(Int)= 0.00000027 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05805 0.00000 0.00000 -0.00001 -0.00001 2.05804 R2 2.62041 0.00000 0.00000 -0.00024 -0.00024 2.62016 R3 2.86320 0.00000 0.00000 -0.00014 -0.00014 2.86306 R4 4.37446 -0.00001 0.00000 0.00364 0.00364 4.37810 R5 2.05658 0.00000 0.00000 0.00002 0.00002 2.05660 R6 2.66027 -0.00001 0.00000 0.00000 0.00000 2.66027 R7 2.05659 0.00000 0.00000 -0.00002 -0.00002 2.05657 R8 2.62026 0.00002 0.00000 0.00018 0.00018 2.62044 R9 2.05804 0.00000 0.00000 0.00002 0.00002 2.05805 R10 2.86310 0.00000 0.00000 0.00016 0.00016 2.86326 R11 4.37683 -0.00001 0.00000 -0.00323 -0.00323 4.37359 R12 2.07661 0.00000 0.00000 -0.00003 -0.00003 2.07658 R13 2.07028 0.00000 0.00000 -0.00002 -0.00002 2.07026 R14 2.94449 0.00000 0.00000 0.00004 0.00004 2.94453 R15 4.44357 0.00000 0.00000 -0.00061 -0.00061 4.44297 R16 2.07026 0.00000 0.00000 0.00006 0.00006 2.07031 R17 2.07659 0.00000 0.00000 0.00002 0.00002 2.07662 R18 4.44370 -0.00001 0.00000 -0.00094 -0.00094 4.44276 R19 2.03578 0.00000 0.00000 -0.00009 -0.00009 2.03569 R20 2.62524 0.00000 0.00000 0.00000 0.00000 2.62524 R21 2.63236 -0.00002 0.00000 -0.00041 -0.00041 2.63195 R22 2.03572 0.00000 0.00000 0.00008 0.00008 2.03580 R23 2.63211 -0.00001 0.00000 0.00033 0.00033 2.63244 R24 2.69192 -0.00005 0.00000 -0.00004 -0.00004 2.69188 R25 2.69201 -0.00004 0.00000 -0.00028 -0.00029 2.69172 R26 2.07492 0.00000 0.00000 0.00001 0.00001 2.07493 R27 2.07616 0.00000 0.00000 0.00000 0.00000 2.07616 A1 2.08082 0.00000 0.00000 0.00009 0.00009 2.08091 A2 2.01636 0.00000 0.00000 0.00018 0.00018 2.01654 A3 1.73927 0.00000 0.00000 -0.00005 -0.00005 1.73922 A4 2.09855 0.00001 0.00000 0.00045 0.00045 2.09900 A5 1.72760 0.00000 0.00000 -0.00072 -0.00072 1.72689 A6 1.63616 0.00000 0.00000 -0.00085 -0.00085 1.63531 A7 2.09943 0.00000 0.00000 -0.00012 -0.00012 2.09931 A8 2.06731 0.00000 0.00000 0.00026 0.00026 2.06758 A9 2.09055 0.00000 0.00000 -0.00004 -0.00004 2.09051 A10 2.09053 0.00000 0.00000 0.00004 0.00004 2.09056 A11 2.06749 -0.00001 0.00000 -0.00025 -0.00025 2.06724 A12 2.09935 0.00000 0.00000 0.00011 0.00011 2.09946 A13 2.08090 0.00000 0.00000 -0.00016 -0.00016 2.08074 A14 2.09881 0.00000 0.00000 -0.00029 -0.00029 2.09851 A15 1.72713 0.00000 0.00000 0.00066 0.00066 1.72779 A16 2.01647 0.00000 0.00000 -0.00015 -0.00015 2.01632 A17 1.73925 0.00000 0.00000 0.00001 0.00001 1.73926 A18 1.63563 0.00000 0.00000 0.00068 0.00068 1.63631 A19 1.87945 0.00000 0.00000 -0.00010 -0.00010 1.87935 A20 1.91111 -0.00001 0.00000 -0.00005 -0.00005 1.91105 A21 1.96751 0.00000 0.00000 0.00004 0.00004 1.96755 A22 1.84422 0.00000 0.00000 0.00010 0.00010 1.84432 A23 1.90727 0.00000 0.00000 0.00003 0.00003 1.90729 A24 1.94890 0.00000 0.00000 -0.00001 -0.00001 1.94889 A25 2.15594 -0.00001 0.00000 -0.00026 -0.00026 2.15568 A26 1.96754 0.00000 0.00000 -0.00006 -0.00006 1.96749 A27 1.91111 -0.00001 0.00000 -0.00007 -0.00007 1.91104 A28 1.87936 0.00000 0.00000 0.00018 0.00018 1.87953 A29 1.94888 0.00000 0.00000 0.00004 0.00004 1.94892 A30 1.90728 0.00000 0.00000 -0.00002 -0.00002 1.90727 A31 1.84428 0.00000 0.00000 -0.00007 -0.00007 1.84420 A32 2.15577 -0.00001 0.00000 0.00022 0.00022 2.15599 A33 1.54456 0.00000 0.00000 -0.00117 -0.00117 1.54338 A34 1.86458 0.00000 0.00000 -0.00078 -0.00078 1.86379 A35 1.86562 0.00001 0.00000 -0.00020 -0.00020 1.86542 A36 2.21825 0.00000 0.00000 0.00066 0.00065 2.21890 A37 1.99440 0.00000 0.00000 0.00038 0.00038 1.99478 A38 1.90220 -0.00001 0.00000 0.00033 0.00033 1.90253 A39 1.86405 0.00000 0.00000 0.00075 0.00075 1.86480 A40 1.54378 0.00000 0.00000 0.00110 0.00110 1.54488 A41 1.86549 0.00001 0.00000 0.00017 0.00017 1.86566 A42 2.21865 0.00000 0.00000 -0.00050 -0.00050 2.21814 A43 1.90246 -0.00001 0.00000 -0.00041 -0.00041 1.90205 A44 1.99465 0.00001 0.00000 -0.00036 -0.00036 1.99429 A45 1.86548 0.00000 0.00000 -0.00005 -0.00005 1.86543 A46 1.86544 0.00001 0.00000 0.00008 0.00008 1.86552 A47 1.87431 0.00001 0.00000 0.00003 0.00003 1.87434 A48 1.91618 0.00000 0.00000 -0.00009 -0.00009 1.91609 A49 1.91794 0.00000 0.00000 -0.00013 -0.00013 1.91781 A50 1.91612 0.00000 0.00000 0.00010 0.00010 1.91621 A51 1.91786 0.00000 0.00000 0.00010 0.00010 1.91796 A52 1.92090 0.00000 0.00000 0.00000 0.00000 1.92090 A53 1.05483 0.00001 0.00000 0.00023 0.00023 1.05506 A54 1.82345 0.00000 0.00000 0.00025 0.00025 1.82370 A55 1.82358 0.00000 0.00000 -0.00012 -0.00012 1.82346 D1 0.09791 0.00000 0.00000 -0.00109 -0.00109 0.09681 D2 2.99652 0.00000 0.00000 -0.00061 -0.00061 2.99591 D3 2.78311 0.00000 0.00000 0.00072 0.00072 2.78383 D4 -0.60146 0.00000 0.00000 0.00120 0.00120 -0.60026 D5 -1.75976 0.00000 0.00000 -0.00061 -0.00061 -1.76037 D6 1.13885 0.00000 0.00000 -0.00013 -0.00013 1.13872 D7 -3.01203 0.00000 0.00000 0.00010 0.00010 -3.01194 D8 -0.83116 0.00000 0.00000 0.00006 0.00006 -0.83110 D9 1.16603 0.00000 0.00000 0.00003 0.00003 1.16606 D10 0.56989 0.00000 0.00000 -0.00163 -0.00163 0.56826 D11 2.75077 0.00000 0.00000 -0.00167 -0.00167 2.74910 D12 -1.53524 0.00000 0.00000 -0.00169 -0.00169 -1.53693 D13 -1.22201 0.00000 0.00000 -0.00035 -0.00035 -1.22236 D14 0.95887 0.00000 0.00000 -0.00039 -0.00039 0.95848 D15 2.95605 0.00000 0.00000 -0.00042 -0.00042 2.95563 D16 -0.87125 0.00000 0.00000 0.00038 0.00038 -0.87087 D17 -3.11389 0.00000 0.00000 0.00027 0.00027 -3.11362 D18 1.13494 0.00001 0.00000 0.00037 0.00037 1.13531 D19 1.25608 0.00000 0.00000 0.00025 0.00025 1.25633 D20 -0.98656 0.00000 0.00000 0.00014 0.00014 -0.98642 D21 -3.02092 0.00000 0.00000 0.00024 0.00024 -3.02068 D22 -2.90794 0.00001 0.00000 0.00039 0.00039 -2.90755 D23 1.13260 0.00000 0.00000 0.00028 0.00028 1.13288 D24 -0.90176 0.00001 0.00000 0.00038 0.00038 -0.90137 D25 -2.89988 0.00000 0.00000 -0.00047 -0.00047 -2.90035 D26 0.00032 0.00000 0.00000 -0.00093 -0.00093 -0.00061 D27 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 D28 2.90020 0.00000 0.00000 -0.00046 -0.00046 2.89974 D29 -2.99611 0.00000 0.00000 -0.00058 -0.00058 -2.99669 D30 0.60073 0.00000 0.00000 0.00094 0.00094 0.60167 D31 -1.13873 0.00000 0.00000 -0.00020 -0.00020 -1.13893 D32 -0.09717 0.00000 0.00000 -0.00105 -0.00105 -0.09822 D33 -2.78352 0.00000 0.00000 0.00047 0.00047 -2.78305 D34 1.76021 0.00000 0.00000 -0.00067 -0.00067 1.75954 D35 1.53630 0.00000 0.00000 -0.00139 -0.00139 1.53491 D36 -2.74972 0.00000 0.00000 -0.00135 -0.00135 -2.75107 D37 -0.56885 0.00000 0.00000 -0.00137 -0.00137 -0.57023 D38 -1.16606 0.00000 0.00000 0.00008 0.00008 -1.16598 D39 0.83110 0.00000 0.00000 0.00011 0.00011 0.83122 D40 3.01197 0.00000 0.00000 0.00009 0.00009 3.01206 D41 -2.95582 0.00000 0.00000 -0.00025 -0.00025 -2.95607 D42 -0.95866 0.00000 0.00000 -0.00022 -0.00022 -0.95887 D43 1.22222 0.00000 0.00000 -0.00024 -0.00024 1.22198 D44 0.98645 0.00000 0.00000 0.00016 0.00016 0.98662 D45 -1.25622 0.00000 0.00000 0.00014 0.00014 -1.25608 D46 3.02078 -0.00001 0.00000 0.00015 0.00015 3.02093 D47 3.11373 0.00000 0.00000 0.00020 0.00020 3.11392 D48 0.87106 0.00000 0.00000 0.00017 0.00017 0.87123 D49 -1.13513 -0.00001 0.00000 0.00018 0.00018 -1.13495 D50 -1.13277 0.00000 0.00000 0.00019 0.00019 -1.13257 D51 2.90775 0.00000 0.00000 0.00017 0.00017 2.90792 D52 0.90156 -0.00001 0.00000 0.00018 0.00018 0.90174 D53 1.77112 0.00000 0.00000 -0.00095 -0.00095 1.77017 D54 -2.49235 0.00000 0.00000 -0.00104 -0.00104 -2.49339 D55 -0.42049 0.00000 0.00000 -0.00095 -0.00095 -0.42145 D56 -0.00056 0.00000 0.00000 0.00162 0.00162 0.00106 D57 -2.16069 0.00001 0.00000 0.00172 0.00172 -2.15897 D58 2.08850 0.00000 0.00000 0.00180 0.00180 2.09030 D59 -2.08971 0.00000 0.00000 0.00170 0.00170 -2.08801 D60 2.03334 0.00000 0.00000 0.00180 0.00180 2.03515 D61 -0.00065 0.00000 0.00000 0.00188 0.00188 0.00123 D62 2.15955 -0.00001 0.00000 0.00157 0.00157 2.16112 D63 -0.00058 0.00000 0.00000 0.00167 0.00167 0.00109 D64 -2.03457 0.00000 0.00000 0.00175 0.00175 -2.03282 D65 0.45482 0.00000 0.00000 0.00025 0.00025 0.45507 D66 -1.26708 0.00000 0.00000 0.00048 0.00048 -1.26660 D67 -1.77028 0.00000 0.00000 -0.00148 -0.00148 -1.77175 D68 0.42137 0.00000 0.00000 -0.00157 -0.00157 0.41980 D69 2.49327 0.00000 0.00000 -0.00161 -0.00161 2.49165 D70 -0.45520 0.00000 0.00000 0.00087 0.00087 -0.45434 D71 1.26647 0.00000 0.00000 0.00126 0.00126 1.26773 D72 0.00003 0.00000 0.00000 -0.00007 -0.00007 -0.00005 D73 1.76518 0.00000 0.00000 0.00180 0.00180 1.76698 D74 -2.00959 -0.00001 0.00000 -0.00047 -0.00047 -2.01006 D75 -1.76643 0.00000 0.00000 0.00184 0.00184 -1.76458 D76 -0.00127 0.00001 0.00000 0.00371 0.00371 0.00244 D77 2.50714 0.00000 0.00000 0.00145 0.00145 2.50859 D78 2.00995 0.00000 0.00000 -0.00055 -0.00055 2.00939 D79 -2.50808 0.00001 0.00000 0.00132 0.00132 -2.50677 D80 0.00033 0.00000 0.00000 -0.00095 -0.00095 -0.00062 D81 1.91052 0.00000 0.00000 -0.00017 -0.00017 1.91035 D82 -2.69482 0.00000 0.00000 -0.00149 -0.00149 -2.69630 D83 -0.09873 0.00000 0.00000 0.00069 0.00069 -0.09804 D84 -1.91048 0.00000 0.00000 0.00006 0.00006 -1.91042 D85 0.09821 0.00000 0.00000 0.00083 0.00083 0.09904 D86 2.69573 -0.00001 0.00000 -0.00117 -0.00117 2.69456 D87 0.15775 0.00000 0.00000 -0.00017 -0.00017 0.15758 D88 2.24025 0.00000 0.00000 -0.00009 -0.00009 2.24016 D89 -1.92783 0.00000 0.00000 -0.00024 -0.00024 -1.92807 D90 -0.15755 0.00000 0.00000 -0.00041 -0.00041 -0.15796 D91 -2.24009 0.00000 0.00000 -0.00037 -0.00037 -2.24046 D92 1.92808 0.00000 0.00000 -0.00049 -0.00049 1.92759 D93 1.57602 0.00001 0.00000 0.00018 0.00018 1.57619 D94 0.48275 0.00000 0.00000 -0.00009 -0.00009 0.48266 D95 -0.48277 0.00000 0.00000 0.00016 0.00016 -0.48261 D96 -1.57604 -0.00001 0.00000 -0.00010 -0.00010 -1.57614 D97 -2.59491 0.00000 0.00000 -0.00002 -0.00002 -2.59493 D98 2.59501 0.00000 0.00000 -0.00028 -0.00028 2.59473 Item Value Threshold Converged? Maximum Force 0.000046 0.000450 YES RMS Force 0.000006 0.000300 YES Maximum Displacement 0.002123 0.001800 NO RMS Displacement 0.000505 0.001200 YES Predicted change in Energy=-7.320993D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.176821 1.364728 0.116626 2 1 0 -1.074585 2.444870 0.022257 3 6 0 -2.118579 0.703673 -0.657045 4 1 0 -2.684267 1.244017 -1.413640 5 6 0 -2.118235 -0.704082 -0.657030 6 1 0 -2.683639 -1.244760 -1.413578 7 6 0 -1.175411 -1.364321 0.116303 8 1 0 -1.073060 -2.444514 0.022536 9 6 0 -0.729422 -0.778716 1.440654 10 1 0 -1.419348 -1.141495 2.215204 11 1 0 0.253346 -1.183104 1.706803 12 6 0 -0.729438 0.779461 1.440535 13 1 0 0.253624 1.183953 1.705550 14 1 0 -1.418438 1.142322 2.215898 15 6 0 0.740108 0.694301 -0.998469 16 1 0 0.459539 1.344411 -1.810309 17 6 0 0.739496 -0.694916 -0.997922 18 1 0 0.460160 -1.344801 -1.810445 19 8 0 1.823215 1.147725 -0.249408 20 8 0 1.823050 -1.148147 -0.248913 21 6 0 2.431745 -0.000181 0.334673 22 1 0 3.508404 -0.000241 0.119215 23 1 0 2.264748 0.000148 1.420565 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089066 0.000000 3 C 1.386531 2.140827 0.000000 4 H 2.151436 2.468790 1.088306 0.000000 5 C 2.400995 3.386227 1.407755 2.165166 0.000000 6 H 3.379564 4.273646 2.165185 2.488778 1.088292 7 C 2.729049 3.811686 2.400882 3.379468 1.386678 8 H 3.811816 4.889384 3.386151 4.273623 2.140865 9 C 2.558822 3.538714 2.920202 4.007476 2.516873 10 H 3.277804 4.217806 3.484736 4.523184 2.988227 11 H 3.326482 4.214651 3.843661 4.925206 3.382538 12 C 1.515065 2.214548 2.517002 3.490485 2.920520 13 H 2.145584 2.487473 3.382288 4.285342 3.843458 14 H 2.124802 2.574282 2.989384 3.845284 3.486064 15 C 2.316792 2.720199 2.879018 3.492979 3.200340 16 H 2.528076 2.631130 2.896075 3.170322 3.488738 17 C 3.025991 3.766949 3.200131 3.956569 2.878005 18 H 3.706057 4.480608 3.489480 4.092293 2.896378 19 O 3.030064 3.186476 3.987617 4.656404 4.373828 20 O 3.930317 4.623807 4.374042 5.234018 3.987164 21 C 3.864230 4.286051 4.710028 5.547811 4.709699 22 H 4.880009 5.195359 5.723724 6.499769 5.723374 23 H 3.925141 4.368417 4.901526 5.837180 4.901314 6 7 8 9 10 6 H 0.000000 7 C 2.151646 0.000000 8 H 2.468967 1.089075 0.000000 9 C 3.490387 1.515172 2.214504 0.000000 10 H 3.844106 2.124745 2.574017 1.098879 0.000000 11 H 4.285611 2.145665 2.487421 1.095535 1.748745 12 C 4.007785 2.558962 3.538758 1.558177 2.183154 13 H 4.924949 3.325891 4.214071 2.211022 2.909689 14 H 4.524598 3.278814 4.218473 2.183148 2.283817 15 C 3.956554 3.024873 3.765924 3.206028 4.284984 16 H 4.091549 3.704339 4.479301 4.060796 5.090649 17 C 3.491841 2.314405 2.718048 2.848051 3.896693 18 H 3.170329 2.527416 2.630579 3.507877 4.447441 19 O 5.233642 3.928852 4.622395 3.617104 4.672158 20 O 4.655752 3.028347 3.184604 3.083217 4.072476 21 C 5.547298 3.862660 4.284373 3.438355 4.435078 22 H 6.499207 4.878407 5.193614 4.506816 5.475251 23 H 5.836840 3.923974 4.367129 3.093878 3.937939 11 12 13 14 15 11 H 0.000000 12 C 2.210978 0.000000 13 H 2.367057 1.095562 0.000000 14 H 2.908891 1.098898 1.748708 0.000000 15 C 3.328675 2.848782 2.790725 3.897717 0.000000 16 H 4.336004 3.507253 3.525538 4.447244 1.077241 17 C 2.791094 3.205873 3.327909 4.284945 1.389217 18 H 3.527031 4.061589 4.335836 5.091792 2.212603 19 O 3.424034 3.083434 2.507348 4.072601 1.392769 20 O 2.507991 3.617334 3.423699 4.672129 2.264777 21 C 2.833279 3.438583 2.832965 4.434888 2.263009 22 H 3.809856 4.507009 3.809511 5.474971 3.065138 23 H 2.351118 3.094006 2.351006 3.937381 2.942465 16 17 18 19 20 16 H 0.000000 17 C 2.212963 0.000000 18 H 2.689213 1.077299 0.000000 19 O 2.081997 2.264959 3.241518 0.000000 20 O 3.241909 1.393026 2.081952 2.295872 0.000000 21 C 3.209124 2.263222 3.208844 1.424482 1.424398 22 H 3.850550 3.065521 3.850094 2.072094 2.072107 23 H 3.937559 2.942547 3.937620 2.073812 2.073846 21 22 23 21 C 0.000000 22 H 1.098006 0.000000 23 H 1.098658 1.800054 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.195046 -1.364573 0.077337 2 1 0 1.089895 -2.444669 -0.014312 3 6 0 2.109912 -0.702733 -0.727309 4 1 0 2.649754 -1.242393 -1.503034 5 6 0 2.109277 0.705021 -0.726242 6 1 0 2.648613 1.246384 -1.501112 7 6 0 1.193059 1.364476 0.079077 8 1 0 1.087365 2.444712 -0.010370 9 6 0 0.792317 0.777799 1.417346 10 1 0 1.508015 1.140171 2.168344 11 1 0 -0.180953 1.181763 1.716937 12 6 0 0.792653 -0.780378 1.416075 13 1 0 -0.180782 -1.185292 1.713946 14 1 0 1.507602 -1.143646 2.167381 15 6 0 -0.758702 -0.693776 -0.971676 16 1 0 -0.505665 -1.343228 -1.793036 17 6 0 -0.758360 0.695440 -0.970123 18 1 0 -0.506849 1.345984 -1.791164 19 8 0 -1.815715 -1.147999 -0.186684 20 8 0 -1.816010 1.147872 -0.184499 21 6 0 -2.404345 -0.000662 0.418527 22 1 0 -3.487686 -0.000695 0.239671 23 1 0 -2.200652 -0.001747 1.498137 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100707 1.0127048 0.9486457 Standard basis: 6-31G(d) (6D, 7F) There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5281472899 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000678 0.000011 -0.000157 Ang= -0.08 deg. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668919 A.U. after 8 cycles NFock= 8 Conv=0.34D-08 -V/T= 2.0093 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000041065 0.000009261 -0.000009443 2 1 -0.000011282 0.000002020 0.000005481 3 6 -0.000031854 -0.000006521 -0.000006778 4 1 -0.000000960 -0.000001316 0.000001124 5 6 0.000029137 -0.000002755 0.000007047 6 1 0.000001676 -0.000000732 -0.000001735 7 6 -0.000033296 0.000010178 0.000010724 8 1 0.000009263 0.000001838 -0.000007131 9 6 0.000000328 -0.000003150 -0.000007801 10 1 0.000000364 -0.000000375 0.000001910 11 1 0.000007578 -0.000002000 -0.000002033 12 6 -0.000001349 -0.000002393 0.000015919 13 1 -0.000003128 0.000000321 -0.000009025 14 1 0.000001577 -0.000001080 -0.000000562 15 6 -0.000058067 0.000009550 0.000018736 16 1 0.000013102 0.000000010 -0.000012286 17 6 0.000051390 -0.000001694 -0.000017763 18 1 -0.000013617 -0.000000136 0.000010955 19 8 0.000013416 -0.000003413 -0.000003248 20 8 -0.000009803 -0.000000216 0.000004245 21 6 -0.000001106 -0.000003475 -0.000000944 22 1 -0.000000080 -0.000004039 -0.000000406 23 1 -0.000004355 0.000000117 0.000003017 ------------------------------------------------------------------- Cartesian Forces: Max 0.000058067 RMS 0.000014133 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000019639 RMS 0.000003814 Search for a saddle point. Step number 7 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 6 7 ITU= 0 0 0 0 0 0 0 Eigenvalues --- -0.03902 0.00087 0.00116 0.00218 0.00464 Eigenvalues --- 0.00513 0.01369 0.01411 0.01472 0.01492 Eigenvalues --- 0.01791 0.01984 0.02296 0.02351 0.02519 Eigenvalues --- 0.02900 0.03112 0.03310 0.03329 0.03728 Eigenvalues --- 0.04109 0.04285 0.04726 0.04992 0.05274 Eigenvalues --- 0.05289 0.05447 0.05457 0.06146 0.06462 Eigenvalues --- 0.08226 0.08330 0.08879 0.09346 0.11185 Eigenvalues --- 0.11771 0.12152 0.12715 0.15480 0.16203 Eigenvalues --- 0.16907 0.18909 0.23044 0.23905 0.25519 Eigenvalues --- 0.26020 0.27569 0.28224 0.29804 0.30385 Eigenvalues --- 0.30981 0.32066 0.33292 0.33991 0.35163 Eigenvalues --- 0.35184 0.36041 0.36145 0.38803 0.38923 Eigenvalues --- 0.40710 0.40981 0.43196 Eigenvectors required to have negative eigenvalues: R11 R4 D79 D77 D86 1 -0.56584 -0.56453 0.17131 -0.17112 -0.14936 D82 R20 D73 D75 D30 1 0.14912 0.13132 0.11570 -0.11564 0.10627 RFO step: Lambda0=3.841470336D-10 Lambda=-1.54414756D-07. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00039084 RMS(Int)= 0.00000020 Iteration 2 RMS(Cart)= 0.00000019 RMS(Int)= 0.00000013 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05804 0.00000 0.00000 0.00001 0.00001 2.05804 R2 2.62016 0.00002 0.00000 0.00013 0.00013 2.62030 R3 2.86306 0.00001 0.00000 0.00011 0.00011 2.86317 R4 4.37810 -0.00001 0.00000 -0.00230 -0.00230 4.37580 R5 2.05660 0.00000 0.00000 -0.00001 -0.00001 2.05659 R6 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R7 2.05657 0.00000 0.00000 0.00001 0.00001 2.05659 R8 2.62044 -0.00002 0.00000 -0.00014 -0.00014 2.62030 R9 2.05805 0.00000 0.00000 -0.00001 -0.00001 2.05805 R10 2.86326 -0.00001 0.00000 -0.00010 -0.00010 2.86316 R11 4.37359 0.00000 0.00000 0.00239 0.00239 4.37598 R12 2.07658 0.00000 0.00000 0.00002 0.00002 2.07660 R13 2.07026 0.00000 0.00000 0.00002 0.00002 2.07028 R14 2.94453 0.00000 0.00000 0.00000 0.00000 2.94453 R15 4.44297 -0.00001 0.00000 -0.00166 -0.00166 4.44131 R16 2.07031 0.00000 0.00000 -0.00003 -0.00003 2.07029 R17 2.07662 0.00000 0.00000 -0.00002 -0.00002 2.07660 R18 4.44276 0.00000 0.00000 -0.00123 -0.00123 4.44153 R19 2.03569 0.00001 0.00000 0.00006 0.00006 2.03575 R20 2.62524 0.00000 0.00000 0.00001 0.00001 2.62525 R21 2.63195 0.00001 0.00000 0.00024 0.00024 2.63220 R22 2.03580 0.00000 0.00000 -0.00005 -0.00005 2.03575 R23 2.63244 -0.00001 0.00000 -0.00025 -0.00025 2.63219 R24 2.69188 0.00000 0.00000 -0.00010 -0.00010 2.69178 R25 2.69172 0.00000 0.00000 0.00006 0.00006 2.69179 R26 2.07493 0.00000 0.00000 -0.00001 -0.00001 2.07492 R27 2.07616 0.00000 0.00000 0.00001 0.00001 2.07618 A1 2.08091 0.00000 0.00000 -0.00008 -0.00008 2.08082 A2 2.01654 0.00000 0.00000 -0.00011 -0.00011 2.01643 A3 1.73922 0.00000 0.00000 0.00002 0.00002 1.73923 A4 2.09900 0.00000 0.00000 -0.00024 -0.00024 2.09876 A5 1.72689 0.00000 0.00000 0.00048 0.00048 1.72737 A6 1.63531 0.00000 0.00000 0.00049 0.00049 1.63581 A7 2.09931 0.00001 0.00000 0.00008 0.00008 2.09939 A8 2.06758 -0.00001 0.00000 -0.00017 -0.00017 2.06741 A9 2.09051 0.00000 0.00000 0.00002 0.00002 2.09054 A10 2.09056 0.00000 0.00000 -0.00002 -0.00002 2.09054 A11 2.06724 0.00001 0.00000 0.00017 0.00017 2.06742 A12 2.09946 -0.00001 0.00000 -0.00008 -0.00008 2.09938 A13 2.08074 0.00000 0.00000 0.00007 0.00007 2.08081 A14 2.09851 0.00000 0.00000 0.00028 0.00028 2.09879 A15 1.72779 0.00000 0.00000 -0.00045 -0.00045 1.72734 A16 2.01632 0.00000 0.00000 0.00011 0.00011 2.01643 A17 1.73926 -0.00001 0.00000 0.00002 0.00002 1.73928 A18 1.63631 0.00000 0.00000 -0.00059 -0.00059 1.63572 A19 1.87935 0.00000 0.00000 0.00013 0.00013 1.87948 A20 1.91105 0.00000 0.00000 -0.00007 -0.00007 1.91099 A21 1.96755 0.00000 0.00000 -0.00003 -0.00003 1.96751 A22 1.84432 0.00000 0.00000 -0.00005 -0.00005 1.84427 A23 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90729 A24 1.94889 0.00000 0.00000 0.00003 0.00003 1.94892 A25 2.15568 0.00000 0.00000 0.00011 0.00011 2.15579 A26 1.96749 0.00000 0.00000 0.00004 0.00004 1.96752 A27 1.91104 0.00000 0.00000 -0.00003 -0.00003 1.91102 A28 1.87953 0.00000 0.00000 -0.00009 -0.00009 1.87945 A29 1.94892 0.00000 0.00000 -0.00001 -0.00001 1.94892 A30 1.90727 0.00000 0.00000 0.00001 0.00001 1.90728 A31 1.84420 0.00000 0.00000 0.00007 0.00007 1.84428 A32 2.15599 0.00000 0.00000 -0.00031 -0.00031 2.15568 A33 1.54338 0.00000 0.00000 0.00079 0.00079 1.54417 A34 1.86379 0.00000 0.00000 0.00051 0.00051 1.86431 A35 1.86542 0.00000 0.00000 0.00011 0.00011 1.86553 A36 2.21890 0.00000 0.00000 -0.00038 -0.00038 2.21852 A37 1.99478 0.00000 0.00000 -0.00025 -0.00025 1.99452 A38 1.90253 -0.00001 0.00000 -0.00025 -0.00025 1.90228 A39 1.86480 0.00000 0.00000 -0.00052 -0.00052 1.86428 A40 1.54488 0.00000 0.00000 -0.00073 -0.00073 1.54415 A41 1.86566 0.00000 0.00000 -0.00012 -0.00012 1.86555 A42 2.21814 0.00000 0.00000 0.00040 0.00040 2.21854 A43 1.90205 0.00001 0.00000 0.00023 0.00023 1.90228 A44 1.99429 0.00000 0.00000 0.00024 0.00024 1.99453 A45 1.86543 0.00000 0.00000 0.00002 0.00002 1.86545 A46 1.86552 0.00000 0.00000 -0.00006 -0.00006 1.86546 A47 1.87434 0.00000 0.00000 -0.00002 -0.00002 1.87432 A48 1.91609 0.00000 0.00000 0.00006 0.00006 1.91615 A49 1.91781 0.00000 0.00000 0.00008 0.00008 1.91789 A50 1.91621 0.00000 0.00000 -0.00006 -0.00006 1.91615 A51 1.91796 0.00000 0.00000 -0.00007 -0.00007 1.91789 A52 1.92090 0.00000 0.00000 0.00001 0.00001 1.92091 A53 1.05506 0.00000 0.00000 0.00039 0.00039 1.05545 A54 1.82370 0.00000 0.00000 0.00011 0.00011 1.82382 A55 1.82346 0.00000 0.00000 0.00042 0.00042 1.82389 D1 0.09681 0.00000 0.00000 0.00073 0.00073 0.09754 D2 2.99591 0.00000 0.00000 0.00042 0.00042 2.99633 D3 2.78383 0.00000 0.00000 -0.00039 -0.00039 2.78345 D4 -0.60026 0.00000 0.00000 -0.00069 -0.00069 -0.60095 D5 -1.76037 0.00000 0.00000 0.00043 0.00043 -1.75994 D6 1.13872 0.00000 0.00000 0.00013 0.00013 1.13885 D7 -3.01194 0.00000 0.00000 -0.00002 -0.00002 -3.01196 D8 -0.83110 0.00000 0.00000 -0.00003 -0.00003 -0.83113 D9 1.16606 0.00000 0.00000 -0.00001 -0.00001 1.16605 D10 0.56826 0.00000 0.00000 0.00104 0.00104 0.56930 D11 2.74910 0.00000 0.00000 0.00104 0.00104 2.75014 D12 -1.53693 0.00000 0.00000 0.00106 0.00106 -1.53587 D13 -1.22236 0.00000 0.00000 0.00022 0.00022 -1.22214 D14 0.95848 0.00000 0.00000 0.00022 0.00022 0.95869 D15 2.95563 0.00000 0.00000 0.00024 0.00024 2.95587 D16 -0.87087 0.00000 0.00000 -0.00018 -0.00018 -0.87105 D17 -3.11362 0.00000 0.00000 -0.00016 -0.00016 -3.11378 D18 1.13531 0.00000 0.00000 -0.00018 -0.00018 1.13513 D19 1.25633 0.00000 0.00000 -0.00012 -0.00012 1.25621 D20 -0.98642 0.00000 0.00000 -0.00010 -0.00010 -0.98652 D21 -3.02068 0.00000 0.00000 -0.00012 -0.00012 -3.02080 D22 -2.90755 0.00000 0.00000 -0.00017 -0.00017 -2.90772 D23 1.13288 0.00000 0.00000 -0.00016 -0.00016 1.13273 D24 -0.90137 0.00000 0.00000 -0.00017 -0.00017 -0.90155 D25 -2.90035 0.00000 0.00000 0.00028 0.00028 -2.90007 D26 -0.00061 0.00001 0.00000 0.00060 0.00060 -0.00001 D27 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00002 D28 2.89974 0.00000 0.00000 0.00031 0.00031 2.90005 D29 -2.99669 0.00000 0.00000 0.00038 0.00038 -2.99631 D30 0.60167 0.00000 0.00000 -0.00077 -0.00077 0.60090 D31 -1.13893 0.00000 0.00000 0.00014 0.00014 -1.13879 D32 -0.09822 0.00000 0.00000 0.00071 0.00071 -0.09751 D33 -2.78305 0.00000 0.00000 -0.00044 -0.00044 -2.78349 D34 1.75954 0.00000 0.00000 0.00047 0.00047 1.76001 D35 1.53491 0.00000 0.00000 0.00117 0.00117 1.53609 D36 -2.75107 0.00000 0.00000 0.00115 0.00115 -2.74992 D37 -0.57023 0.00000 0.00000 0.00112 0.00112 -0.56911 D38 -1.16598 0.00000 0.00000 0.00008 0.00008 -1.16590 D39 0.83122 0.00000 0.00000 0.00006 0.00006 0.83127 D40 3.01206 0.00000 0.00000 0.00002 0.00002 3.01209 D41 -2.95607 0.00000 0.00000 0.00033 0.00033 -2.95574 D42 -0.95887 0.00000 0.00000 0.00031 0.00031 -0.95856 D43 1.22198 0.00000 0.00000 0.00027 0.00027 1.22225 D44 0.98662 0.00000 0.00000 -0.00012 -0.00012 0.98649 D45 -1.25608 0.00000 0.00000 -0.00017 -0.00017 -1.25625 D46 3.02093 0.00000 0.00000 -0.00017 -0.00017 3.02076 D47 3.11392 0.00000 0.00000 -0.00018 -0.00018 3.11375 D48 0.87123 0.00000 0.00000 -0.00022 -0.00022 0.87101 D49 -1.13495 0.00000 0.00000 -0.00022 -0.00022 -1.13517 D50 -1.13257 0.00000 0.00000 -0.00019 -0.00019 -1.13277 D51 2.90792 0.00000 0.00000 -0.00024 -0.00024 2.90768 D52 0.90174 0.00000 0.00000 -0.00024 -0.00024 0.90150 D53 1.77017 0.00000 0.00000 0.00117 0.00117 1.77134 D54 -2.49339 0.00000 0.00000 0.00126 0.00126 -2.49213 D55 -0.42145 0.00000 0.00000 0.00124 0.00124 -0.42021 D56 0.00106 0.00000 0.00000 -0.00118 -0.00118 -0.00012 D57 -2.15897 0.00000 0.00000 -0.00117 -0.00117 -2.16014 D58 2.09030 0.00000 0.00000 -0.00126 -0.00126 2.08904 D59 -2.08801 0.00000 0.00000 -0.00132 -0.00132 -2.08933 D60 2.03515 0.00000 0.00000 -0.00130 -0.00130 2.03384 D61 0.00123 0.00000 0.00000 -0.00139 -0.00139 -0.00016 D62 2.16112 0.00000 0.00000 -0.00127 -0.00127 2.15985 D63 0.00109 0.00000 0.00000 -0.00126 -0.00126 -0.00016 D64 -2.03282 0.00000 0.00000 -0.00135 -0.00135 -2.03417 D65 0.45507 0.00000 0.00000 -0.00070 -0.00070 0.45437 D66 -1.26660 0.00000 0.00000 -0.00119 -0.00119 -1.26779 D67 -1.77175 0.00000 0.00000 0.00060 0.00060 -1.77116 D68 0.41980 0.00000 0.00000 0.00062 0.00062 0.42042 D69 2.49165 0.00000 0.00000 0.00067 0.00067 2.49233 D70 -0.45434 0.00000 0.00000 -0.00012 -0.00012 -0.45446 D71 1.26773 0.00000 0.00000 -0.00015 -0.00015 1.26759 D72 -0.00005 0.00000 0.00000 0.00006 0.00006 0.00001 D73 1.76698 -0.00001 0.00000 -0.00117 -0.00117 1.76581 D74 -2.01006 0.00000 0.00000 0.00035 0.00035 -2.00971 D75 -1.76458 -0.00001 0.00000 -0.00125 -0.00125 -1.76583 D76 0.00244 -0.00001 0.00000 -0.00247 -0.00247 -0.00003 D77 2.50859 0.00000 0.00000 -0.00095 -0.00095 2.50764 D78 2.00939 0.00000 0.00000 0.00033 0.00033 2.00972 D79 -2.50677 0.00000 0.00000 -0.00090 -0.00090 -2.50767 D80 -0.00062 0.00001 0.00000 0.00062 0.00062 0.00000 D81 1.91035 0.00000 0.00000 -0.00024 -0.00024 1.91011 D82 -2.69630 0.00000 0.00000 0.00063 0.00063 -2.69567 D83 -0.09804 -0.00001 0.00000 -0.00077 -0.00077 -0.09881 D84 -1.91042 0.00000 0.00000 0.00033 0.00033 -1.91009 D85 0.09904 -0.00001 0.00000 -0.00022 -0.00022 0.09881 D86 2.69456 0.00000 0.00000 0.00114 0.00114 2.69570 D87 0.15758 0.00000 0.00000 0.00063 0.00063 0.15821 D88 2.24016 0.00000 0.00000 0.00058 0.00058 2.24074 D89 -1.92807 0.00000 0.00000 0.00068 0.00068 -1.92739 D90 -0.15796 0.00000 0.00000 -0.00025 -0.00025 -0.15821 D91 -2.24046 0.00000 0.00000 -0.00028 -0.00028 -2.24074 D92 1.92759 0.00000 0.00000 -0.00021 -0.00021 1.92739 D93 1.57619 0.00000 0.00000 0.00021 0.00021 1.57640 D94 0.48266 0.00000 0.00000 -0.00028 -0.00028 0.48238 D95 -0.48261 0.00000 0.00000 0.00023 0.00023 -0.48238 D96 -1.57614 0.00000 0.00000 -0.00026 -0.00026 -1.57640 D97 -2.59493 0.00000 0.00000 0.00035 0.00035 -2.59458 D98 2.59473 0.00000 0.00000 -0.00015 -0.00015 2.59459 Item Value Threshold Converged? Maximum Force 0.000020 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.001577 0.001800 YES RMS Displacement 0.000391 0.001200 YES Predicted change in Energy=-7.701495D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0891 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3865 -DE/DX = 0.0 ! ! R3 R(1,12) 1.5151 -DE/DX = 0.0 ! ! R4 R(1,15) 2.3168 -DE/DX = 0.0 ! ! R5 R(3,4) 1.0883 -DE/DX = 0.0 ! ! R6 R(3,5) 1.4078 -DE/DX = 0.0 ! ! R7 R(5,6) 1.0883 -DE/DX = 0.0 ! ! R8 R(5,7) 1.3867 -DE/DX = 0.0 ! ! R9 R(7,8) 1.0891 -DE/DX = 0.0 ! ! R10 R(7,9) 1.5152 -DE/DX = 0.0 ! ! R11 R(7,17) 2.3144 -DE/DX = 0.0 ! ! R12 R(9,10) 1.0989 -DE/DX = 0.0 ! ! R13 R(9,11) 1.0955 -DE/DX = 0.0 ! ! R14 R(9,12) 1.5582 -DE/DX = 0.0 ! ! R15 R(11,23) 2.3511 -DE/DX = 0.0 ! ! R16 R(12,13) 1.0956 -DE/DX = 0.0 ! ! R17 R(12,14) 1.0989 -DE/DX = 0.0 ! ! R18 R(13,23) 2.351 -DE/DX = 0.0 ! ! R19 R(15,16) 1.0772 -DE/DX = 0.0 ! ! R20 R(15,17) 1.3892 -DE/DX = 0.0 ! ! R21 R(15,19) 1.3928 -DE/DX = 0.0 ! ! R22 R(17,18) 1.0773 -DE/DX = 0.0 ! ! R23 R(17,20) 1.393 -DE/DX = 0.0 ! ! R24 R(19,21) 1.4245 -DE/DX = 0.0 ! ! R25 R(20,21) 1.4244 -DE/DX = 0.0 ! ! R26 R(21,22) 1.098 -DE/DX = 0.0 ! ! R27 R(21,23) 1.0987 -DE/DX = 0.0 ! ! A1 A(2,1,3) 119.2271 -DE/DX = 0.0 ! ! A2 A(2,1,12) 115.5393 -DE/DX = 0.0 ! ! A3 A(2,1,15) 99.6499 -DE/DX = 0.0 ! ! A4 A(3,1,12) 120.2637 -DE/DX = 0.0 ! ! A5 A(3,1,15) 98.9433 -DE/DX = 0.0 ! ! A6 A(12,1,15) 93.6965 -DE/DX = 0.0 ! ! A7 A(1,3,4) 120.2817 -DE/DX = 0.0 ! ! A8 A(1,3,5) 118.4633 -DE/DX = 0.0 ! ! A9 A(4,3,5) 119.7776 -DE/DX = 0.0 ! ! A10 A(3,5,6) 119.7805 -DE/DX = 0.0 ! ! A11 A(3,5,7) 118.4442 -DE/DX = 0.0 ! ! A12 A(6,5,7) 120.2901 -DE/DX = 0.0 ! ! A13 A(5,7,8) 119.2178 -DE/DX = 0.0 ! ! A14 A(5,7,9) 120.236 -DE/DX = 0.0 ! ! A15 A(5,7,17) 98.9952 -DE/DX = 0.0 ! ! A16 A(8,7,9) 115.5268 -DE/DX = 0.0 ! ! A17 A(8,7,17) 99.6522 -DE/DX = 0.0 ! ! A18 A(9,7,17) 93.7539 -DE/DX = 0.0 ! ! A19 A(7,9,10) 107.679 -DE/DX = 0.0 ! ! A20 A(7,9,11) 109.4954 -DE/DX = 0.0 ! ! A21 A(7,9,12) 112.7322 -DE/DX = 0.0 ! ! A22 A(10,9,11) 105.6715 -DE/DX = 0.0 ! ! A23 A(10,9,12) 109.2799 -DE/DX = 0.0 ! ! A24 A(11,9,12) 111.6633 -DE/DX = 0.0 ! ! A25 A(9,11,23) 123.5113 -DE/DX = 0.0 ! ! A26 A(1,12,9) 112.7287 -DE/DX = 0.0 ! ! A27 A(1,12,13) 109.4948 -DE/DX = 0.0 ! ! A28 A(1,12,14) 107.6894 -DE/DX = 0.0 ! ! A29 A(9,12,13) 111.6651 -DE/DX = 0.0 ! ! A30 A(9,12,14) 109.2783 -DE/DX = 0.0 ! ! A31 A(13,12,14) 105.6651 -DE/DX = 0.0 ! ! A32 A(12,13,23) 123.5289 -DE/DX = 0.0 ! ! A33 A(1,15,16) 88.4294 -DE/DX = 0.0 ! ! A34 A(1,15,17) 106.7875 -DE/DX = 0.0 ! ! A35 A(1,15,19) 106.8806 -DE/DX = 0.0 ! ! A36 A(16,15,17) 127.1338 -DE/DX = 0.0 ! ! A37 A(16,15,19) 114.2922 -DE/DX = 0.0 ! ! A38 A(17,15,19) 109.0072 -DE/DX = 0.0 ! ! A39 A(7,17,15) 106.8453 -DE/DX = 0.0 ! ! A40 A(7,17,18) 88.5152 -DE/DX = 0.0 ! ! A41 A(7,17,20) 106.8947 -DE/DX = 0.0 ! ! A42 A(15,17,18) 127.0902 -DE/DX = 0.0 ! ! A43 A(15,17,20) 108.9793 -DE/DX = 0.0 ! ! A44 A(18,17,20) 114.2644 -DE/DX = 0.0 ! ! A45 A(15,19,21) 106.8814 -DE/DX = 0.0 ! ! A46 A(17,20,21) 106.8865 -DE/DX = 0.0 ! ! A47 A(19,21,20) 107.3918 -DE/DX = 0.0 ! ! A48 A(19,21,22) 109.7839 -DE/DX = 0.0 ! ! A49 A(19,21,23) 109.8824 -DE/DX = 0.0 ! ! A50 A(20,21,22) 109.7908 -DE/DX = 0.0 ! ! A51 A(20,21,23) 109.8911 -DE/DX = 0.0 ! ! A52 A(22,21,23) 110.0593 -DE/DX = 0.0 ! ! A53 A(11,23,13) 60.4506 -DE/DX = 0.0 ! ! A54 A(11,23,21) 104.4904 -DE/DX = 0.0 ! ! A55 A(13,23,21) 104.4768 -DE/DX = 0.0 ! ! D1 D(2,1,3,4) 5.547 -DE/DX = 0.0 ! ! D2 D(2,1,3,5) 171.6528 -DE/DX = 0.0 ! ! D3 D(12,1,3,4) 159.5019 -DE/DX = 0.0 ! ! D4 D(12,1,3,5) -34.3923 -DE/DX = 0.0 ! ! D5 D(15,1,3,4) -100.862 -DE/DX = 0.0 ! ! D6 D(15,1,3,5) 65.2438 -DE/DX = 0.0 ! ! D7 D(2,1,12,9) -172.5712 -DE/DX = 0.0 ! ! D8 D(2,1,12,13) -47.6183 -DE/DX = 0.0 ! ! D9 D(2,1,12,14) 66.8103 -DE/DX = 0.0 ! ! D10 D(3,1,12,9) 32.559 -DE/DX = 0.0 ! ! D11 D(3,1,12,13) 157.5118 -DE/DX = 0.0 ! ! D12 D(3,1,12,14) -88.0596 -DE/DX = 0.0 ! ! D13 D(15,1,12,9) -70.0361 -DE/DX = 0.0 ! ! D14 D(15,1,12,13) 54.9167 -DE/DX = 0.0 ! ! D15 D(15,1,12,14) 169.3453 -DE/DX = 0.0 ! ! D16 D(2,1,15,16) -49.8971 -DE/DX = 0.0 ! ! D17 D(2,1,15,17) -178.3971 -DE/DX = 0.0 ! ! D18 D(2,1,15,19) 65.0484 -DE/DX = 0.0 ! ! D19 D(3,1,15,16) 71.9824 -DE/DX = 0.0 ! ! D20 D(3,1,15,17) -56.5177 -DE/DX = 0.0 ! ! D21 D(3,1,15,19) -173.0721 -DE/DX = 0.0 ! ! D22 D(12,1,15,16) -166.5904 -DE/DX = 0.0 ! ! D23 D(12,1,15,17) 64.9095 -DE/DX = 0.0 ! ! D24 D(12,1,15,19) -51.6449 -DE/DX = 0.0 ! ! D25 D(1,3,5,6) -166.178 -DE/DX = 0.0 ! ! D26 D(1,3,5,7) -0.035 -DE/DX = 0.0 ! ! D27 D(4,3,5,6) -0.0003 -DE/DX = 0.0 ! ! D28 D(4,3,5,7) 166.1427 -DE/DX = 0.0 ! ! D29 D(3,5,7,8) -171.6976 -DE/DX = 0.0 ! ! D30 D(3,5,7,9) 34.4729 -DE/DX = 0.0 ! ! D31 D(3,5,7,17) -65.2561 -DE/DX = 0.0 ! ! D32 D(6,5,7,8) -5.6275 -DE/DX = 0.0 ! ! D33 D(6,5,7,9) -159.457 -DE/DX = 0.0 ! ! D34 D(6,5,7,17) 100.814 -DE/DX = 0.0 ! ! D35 D(5,7,9,10) 87.9441 -DE/DX = 0.0 ! ! D36 D(5,7,9,11) -157.625 -DE/DX = 0.0 ! ! D37 D(5,7,9,12) -32.6716 -DE/DX = 0.0 ! ! D38 D(8,7,9,10) -66.8058 -DE/DX = 0.0 ! ! D39 D(8,7,9,11) 47.6252 -DE/DX = 0.0 ! ! D40 D(8,7,9,12) 172.5786 -DE/DX = 0.0 ! ! D41 D(17,7,9,10) -169.3702 -DE/DX = 0.0 ! ! D42 D(17,7,9,11) -54.9393 -DE/DX = 0.0 ! ! D43 D(17,7,9,12) 70.0141 -DE/DX = 0.0 ! ! D44 D(5,7,17,15) 56.5289 -DE/DX = 0.0 ! ! D45 D(5,7,17,18) -71.968 -DE/DX = 0.0 ! ! D46 D(5,7,17,20) 173.0864 -DE/DX = 0.0 ! ! D47 D(8,7,17,15) 178.4147 -DE/DX = 0.0 ! ! D48 D(8,7,17,18) 49.9178 -DE/DX = 0.0 ! ! D49 D(8,7,17,20) -65.0278 -DE/DX = 0.0 ! ! D50 D(9,7,17,15) -64.8917 -DE/DX = 0.0 ! ! D51 D(9,7,17,18) 166.6114 -DE/DX = 0.0 ! ! D52 D(9,7,17,20) 51.6659 -DE/DX = 0.0 ! ! D53 D(7,9,11,23) 101.4231 -DE/DX = 0.0 ! ! D54 D(10,9,11,23) -142.8607 -DE/DX = 0.0 ! ! D55 D(12,9,11,23) -24.1472 -DE/DX = 0.0 ! ! D56 D(7,9,12,1) 0.0606 -DE/DX = 0.0 ! ! D57 D(7,9,12,13) -123.7 -DE/DX = 0.0 ! ! D58 D(7,9,12,14) 119.7652 -DE/DX = 0.0 ! ! D59 D(10,9,12,1) -119.6341 -DE/DX = 0.0 ! ! D60 D(10,9,12,13) 116.6053 -DE/DX = 0.0 ! ! D61 D(10,9,12,14) 0.0704 -DE/DX = 0.0 ! ! D62 D(11,9,12,1) 123.8233 -DE/DX = 0.0 ! ! D63 D(11,9,12,13) 0.0627 -DE/DX = 0.0 ! ! D64 D(11,9,12,14) -116.4722 -DE/DX = 0.0 ! ! D65 D(9,11,23,13) 26.0733 -DE/DX = 0.0 ! ! D66 D(9,11,23,21) -72.5707 -DE/DX = 0.0 ! ! D67 D(1,12,13,23) -101.5141 -DE/DX = 0.0 ! ! D68 D(9,12,13,23) 24.0526 -DE/DX = 0.0 ! ! D69 D(14,12,13,23) 142.7613 -DE/DX = 0.0 ! ! D70 D(12,13,23,11) -26.0315 -DE/DX = 0.0 ! ! D71 D(12,13,23,21) 72.6356 -DE/DX = 0.0 ! ! D72 D(1,15,17,7) -0.0027 -DE/DX = 0.0 ! ! D73 D(1,15,17,18) 101.2402 -DE/DX = 0.0 ! ! D74 D(1,15,17,20) -115.1681 -DE/DX = 0.0 ! ! D75 D(16,15,17,7) -101.1031 -DE/DX = 0.0 ! ! D76 D(16,15,17,18) 0.1398 -DE/DX = 0.0 ! ! D77 D(16,15,17,20) 143.7315 -DE/DX = 0.0 ! ! D78 D(19,15,17,7) 115.1298 -DE/DX = 0.0 ! ! D79 D(19,15,17,18) -143.6273 -DE/DX = 0.0 ! ! D80 D(19,15,17,20) -0.0356 -DE/DX = 0.0 ! ! D81 D(1,15,19,21) 109.4549 -DE/DX = 0.0 ! ! D82 D(16,15,19,21) -154.4868 -DE/DX = 0.0 ! ! D83 D(17,15,19,21) -5.6175 -DE/DX = 0.0 ! ! D84 D(7,17,20,21) -109.4591 -DE/DX = 0.0 ! ! D85 D(15,17,20,21) 5.6743 -DE/DX = 0.0 ! ! D86 D(18,17,20,21) 154.3867 -DE/DX = 0.0 ! ! D87 D(15,19,21,20) 9.0287 -DE/DX = 0.0 ! ! D88 D(15,19,21,22) 128.3517 -DE/DX = 0.0 ! ! D89 D(15,19,21,23) -110.4703 -DE/DX = 0.0 ! ! D90 D(17,20,21,19) -9.0505 -DE/DX = 0.0 ! ! D91 D(17,20,21,22) -128.369 -DE/DX = 0.0 ! ! D92 D(17,20,21,23) 110.443 -DE/DX = 0.0 ! ! D93 D(19,21,23,11) 90.3091 -DE/DX = 0.0 ! ! D94 D(19,21,23,13) 27.6546 -DE/DX = 0.0 ! ! D95 D(20,21,23,11) -27.6517 -DE/DX = 0.0 ! ! D96 D(20,21,23,13) -90.3062 -DE/DX = 0.0 ! ! D97 D(22,21,23,11) -148.6784 -DE/DX = 0.0 ! ! D98 D(22,21,23,13) 148.6671 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.176821 1.364728 0.116626 2 1 0 -1.074585 2.444870 0.022257 3 6 0 -2.118579 0.703673 -0.657045 4 1 0 -2.684267 1.244017 -1.413640 5 6 0 -2.118235 -0.704082 -0.657030 6 1 0 -2.683639 -1.244760 -1.413578 7 6 0 -1.175411 -1.364321 0.116303 8 1 0 -1.073060 -2.444514 0.022536 9 6 0 -0.729422 -0.778716 1.440654 10 1 0 -1.419348 -1.141495 2.215204 11 1 0 0.253346 -1.183104 1.706803 12 6 0 -0.729438 0.779461 1.440535 13 1 0 0.253624 1.183953 1.705550 14 1 0 -1.418438 1.142322 2.215898 15 6 0 0.740108 0.694301 -0.998469 16 1 0 0.459539 1.344411 -1.810309 17 6 0 0.739496 -0.694916 -0.997922 18 1 0 0.460160 -1.344801 -1.810445 19 8 0 1.823215 1.147725 -0.249408 20 8 0 1.823050 -1.148147 -0.248913 21 6 0 2.431745 -0.000181 0.334673 22 1 0 3.508404 -0.000241 0.119215 23 1 0 2.264748 0.000148 1.420565 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089066 0.000000 3 C 1.386531 2.140827 0.000000 4 H 2.151436 2.468790 1.088306 0.000000 5 C 2.400995 3.386227 1.407755 2.165166 0.000000 6 H 3.379564 4.273646 2.165185 2.488778 1.088292 7 C 2.729049 3.811686 2.400882 3.379468 1.386678 8 H 3.811816 4.889384 3.386151 4.273623 2.140865 9 C 2.558822 3.538714 2.920202 4.007476 2.516873 10 H 3.277804 4.217806 3.484736 4.523184 2.988227 11 H 3.326482 4.214651 3.843661 4.925206 3.382538 12 C 1.515065 2.214548 2.517002 3.490485 2.920520 13 H 2.145584 2.487473 3.382288 4.285342 3.843458 14 H 2.124802 2.574282 2.989384 3.845284 3.486064 15 C 2.316792 2.720199 2.879018 3.492979 3.200340 16 H 2.528076 2.631130 2.896075 3.170322 3.488738 17 C 3.025991 3.766949 3.200131 3.956569 2.878005 18 H 3.706057 4.480608 3.489480 4.092293 2.896378 19 O 3.030064 3.186476 3.987617 4.656404 4.373828 20 O 3.930317 4.623807 4.374042 5.234018 3.987164 21 C 3.864230 4.286051 4.710028 5.547811 4.709699 22 H 4.880009 5.195359 5.723724 6.499769 5.723374 23 H 3.925141 4.368417 4.901526 5.837180 4.901314 6 7 8 9 10 6 H 0.000000 7 C 2.151646 0.000000 8 H 2.468967 1.089075 0.000000 9 C 3.490387 1.515172 2.214504 0.000000 10 H 3.844106 2.124745 2.574017 1.098879 0.000000 11 H 4.285611 2.145665 2.487421 1.095535 1.748745 12 C 4.007785 2.558962 3.538758 1.558177 2.183154 13 H 4.924949 3.325891 4.214071 2.211022 2.909689 14 H 4.524598 3.278814 4.218473 2.183148 2.283817 15 C 3.956554 3.024873 3.765924 3.206028 4.284984 16 H 4.091549 3.704339 4.479301 4.060796 5.090649 17 C 3.491841 2.314405 2.718048 2.848051 3.896693 18 H 3.170329 2.527416 2.630579 3.507877 4.447441 19 O 5.233642 3.928852 4.622395 3.617104 4.672158 20 O 4.655752 3.028347 3.184604 3.083217 4.072476 21 C 5.547298 3.862660 4.284373 3.438355 4.435078 22 H 6.499207 4.878407 5.193614 4.506816 5.475251 23 H 5.836840 3.923974 4.367129 3.093878 3.937939 11 12 13 14 15 11 H 0.000000 12 C 2.210978 0.000000 13 H 2.367057 1.095562 0.000000 14 H 2.908891 1.098898 1.748708 0.000000 15 C 3.328675 2.848782 2.790725 3.897717 0.000000 16 H 4.336004 3.507253 3.525538 4.447244 1.077241 17 C 2.791094 3.205873 3.327909 4.284945 1.389217 18 H 3.527031 4.061589 4.335836 5.091792 2.212603 19 O 3.424034 3.083434 2.507348 4.072601 1.392769 20 O 2.507991 3.617334 3.423699 4.672129 2.264777 21 C 2.833279 3.438583 2.832965 4.434888 2.263009 22 H 3.809856 4.507009 3.809511 5.474971 3.065138 23 H 2.351118 3.094006 2.351006 3.937381 2.942465 16 17 18 19 20 16 H 0.000000 17 C 2.212963 0.000000 18 H 2.689213 1.077299 0.000000 19 O 2.081997 2.264959 3.241518 0.000000 20 O 3.241909 1.393026 2.081952 2.295872 0.000000 21 C 3.209124 2.263222 3.208844 1.424482 1.424398 22 H 3.850550 3.065521 3.850094 2.072094 2.072107 23 H 3.937559 2.942547 3.937620 2.073812 2.073846 21 22 23 21 C 0.000000 22 H 1.098006 0.000000 23 H 1.098658 1.800054 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.195046 -1.364573 0.077337 2 1 0 1.089895 -2.444669 -0.014312 3 6 0 2.109912 -0.702733 -0.727309 4 1 0 2.649754 -1.242393 -1.503034 5 6 0 2.109277 0.705021 -0.726242 6 1 0 2.648613 1.246384 -1.501112 7 6 0 1.193059 1.364476 0.079077 8 1 0 1.087365 2.444712 -0.010370 9 6 0 0.792317 0.777799 1.417346 10 1 0 1.508015 1.140171 2.168344 11 1 0 -0.180953 1.181763 1.716937 12 6 0 0.792653 -0.780378 1.416075 13 1 0 -0.180782 -1.185292 1.713946 14 1 0 1.507602 -1.143646 2.167381 15 6 0 -0.758702 -0.693776 -0.971676 16 1 0 -0.505665 -1.343228 -1.793036 17 6 0 -0.758360 0.695440 -0.970123 18 1 0 -0.506849 1.345984 -1.791164 19 8 0 -1.815715 -1.147999 -0.186684 20 8 0 -1.816010 1.147872 -0.184499 21 6 0 -2.404345 -0.000662 0.418527 22 1 0 -3.487686 -0.000695 0.239671 23 1 0 -2.200652 -0.001747 1.498137 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100707 1.0127048 0.9486457 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10716 -1.01319 -0.82908 -0.76591 Alpha occ. eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60398 Alpha occ. eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38414 -0.37327 -0.35526 -0.34881 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 Alpha occ. eigenvalues -- -0.18559 Alpha virt. eigenvalues -- -0.00698 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12248 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16394 0.17145 0.17765 0.19270 0.19776 Alpha virt. eigenvalues -- 0.20300 0.22884 0.23612 0.24271 0.24912 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50829 0.52317 Alpha virt. eigenvalues -- 0.54652 0.54788 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60744 0.61336 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71284 0.72293 0.74095 0.75191 Alpha virt. eigenvalues -- 0.77535 0.79576 0.79877 0.81067 0.82848 Alpha virt. eigenvalues -- 0.84204 0.85443 0.86451 0.88061 0.88446 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91381 0.93717 Alpha virt. eigenvalues -- 0.94029 0.95122 1.00794 1.01440 1.02298 Alpha virt. eigenvalues -- 1.02721 1.09206 1.09919 1.11415 1.14920 Alpha virt. eigenvalues -- 1.15182 1.18941 1.20406 1.25129 1.26442 Alpha virt. eigenvalues -- 1.36726 1.37043 1.39833 1.42713 1.43216 Alpha virt. eigenvalues -- 1.43858 1.47573 1.49205 1.52643 1.58530 Alpha virt. eigenvalues -- 1.63998 1.66107 1.72043 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77089 1.79420 1.86000 1.87776 1.88533 Alpha virt. eigenvalues -- 1.90842 1.93559 1.95825 1.97651 1.97837 Alpha virt. eigenvalues -- 1.98103 2.00055 2.01937 2.04155 2.08888 Alpha virt. eigenvalues -- 2.12024 2.14080 2.16027 2.23008 2.25487 Alpha virt. eigenvalues -- 2.26205 2.27983 2.29195 2.30956 2.31854 Alpha virt. eigenvalues -- 2.37118 2.40151 2.43437 2.44809 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52229 2.54540 2.59889 2.62740 Alpha virt. eigenvalues -- 2.64517 2.67570 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76595 2.80387 2.86686 2.87992 2.94456 Alpha virt. eigenvalues -- 3.10579 3.13118 4.00625 4.10573 4.12767 Alpha virt. eigenvalues -- 4.25201 4.26810 4.36205 4.37019 4.44855 Alpha virt. eigenvalues -- 4.48935 4.64964 4.87450 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 1 1 C 1S -0.00002 0.00001 0.00004 -0.00011 0.00022 2 2S -0.00015 0.00003 0.00012 -0.00042 0.00084 3 2PX -0.00002 -0.00002 -0.00003 0.00010 -0.00008 4 2PY 0.00000 0.00000 0.00006 -0.00009 0.00015 5 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 6 3S 0.00108 -0.00038 -0.00079 0.00152 -0.00367 7 3PX 0.00008 0.00010 0.00019 -0.00091 0.00075 8 3PY 0.00044 -0.00022 -0.00067 0.00038 -0.00136 9 3PZ -0.00015 -0.00018 -0.00037 0.00000 0.00002 10 4XX 0.00003 0.00000 0.00004 -0.00005 0.00013 11 4YY -0.00002 0.00000 0.00004 -0.00020 0.00028 12 4ZZ -0.00001 0.00001 0.00003 -0.00013 0.00020 13 4XY 0.00001 0.00001 0.00002 -0.00007 0.00010 14 4XZ -0.00001 0.00001 0.00003 0.00009 -0.00011 15 4YZ 0.00000 -0.00001 -0.00002 -0.00003 0.00005 16 2 H 1S -0.00001 0.00000 -0.00002 -0.00006 0.00005 17 2S 0.00009 -0.00005 -0.00025 -0.00007 -0.00001 18 3 C 1S 0.00002 0.00000 -0.00002 -0.00009 0.00004 19 2S 0.00011 -0.00002 -0.00007 -0.00010 0.00006 20 2PX -0.00001 0.00000 0.00002 0.00007 -0.00005 21 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 22 2PZ -0.00002 -0.00001 0.00001 0.00003 0.00001 23 3S -0.00111 0.00037 0.00019 0.00039 0.00111 24 3PX 0.00043 -0.00016 -0.00024 0.00003 -0.00054 25 3PY -0.00010 0.00025 0.00025 -0.00018 0.00035 26 3PZ -0.00024 0.00015 0.00019 -0.00007 0.00056 27 4XX 0.00001 0.00000 -0.00001 -0.00007 0.00003 28 4YY 0.00002 0.00000 -0.00003 -0.00006 0.00005 29 4ZZ 0.00004 0.00000 -0.00003 -0.00007 0.00004 30 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 31 4XZ 0.00002 0.00000 -0.00002 0.00000 0.00001 32 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 33 4 H 1S 0.00002 0.00001 0.00003 0.00001 0.00002 34 2S -0.00006 0.00008 0.00012 -0.00020 0.00028 35 5 C 1S 0.00000 0.00002 -0.00002 -0.00008 -0.00004 36 2S -0.00003 0.00011 -0.00007 -0.00010 -0.00006 37 2PX 0.00000 -0.00001 0.00002 0.00007 0.00005 38 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 39 2PZ -0.00001 -0.00002 0.00001 0.00003 -0.00001 40 3S 0.00042 -0.00109 0.00019 0.00042 -0.00109 41 3PX -0.00018 0.00043 -0.00024 0.00001 0.00054 42 3PY -0.00025 0.00009 -0.00025 0.00017 0.00036 43 3PZ 0.00016 -0.00024 0.00019 -0.00006 -0.00056 44 4XX 0.00000 0.00001 -0.00001 -0.00006 -0.00003 45 4YY 0.00000 0.00002 -0.00003 -0.00006 -0.00005 46 4ZZ 0.00000 0.00004 -0.00003 -0.00007 -0.00004 47 4XY 0.00001 0.00000 0.00001 -0.00002 -0.00001 48 4XZ 0.00000 0.00002 -0.00002 0.00000 -0.00001 49 4YZ 0.00000 -0.00001 0.00000 0.00006 0.00006 50 6 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 51 2S 0.00008 -0.00006 0.00012 -0.00020 -0.00028 52 7 C 1S 0.00001 -0.00002 0.00004 -0.00010 -0.00023 53 2S 0.00004 -0.00015 0.00012 -0.00040 -0.00085 54 2PX -0.00002 -0.00002 -0.00003 0.00010 0.00008 55 2PY 0.00000 0.00000 -0.00006 0.00008 0.00015 56 2PZ 0.00001 0.00001 0.00003 -0.00002 -0.00010 57 3S -0.00043 0.00106 -0.00080 0.00145 0.00370 58 3PX 0.00010 0.00008 0.00019 -0.00090 -0.00077 59 3PY 0.00024 -0.00043 0.00067 -0.00035 -0.00137 60 3PZ -0.00017 -0.00016 -0.00037 0.00000 -0.00002 61 4XX 0.00000 0.00003 0.00004 -0.00005 -0.00013 62 4YY 0.00000 -0.00002 0.00004 -0.00019 -0.00028 63 4ZZ 0.00001 -0.00001 0.00003 -0.00012 -0.00020 64 4XY -0.00001 -0.00002 -0.00002 0.00007 0.00010 65 4XZ 0.00001 -0.00001 0.00003 0.00009 0.00012 66 4YZ 0.00001 0.00000 0.00002 0.00003 0.00005 67 8 H 1S 0.00000 -0.00001 -0.00002 -0.00006 -0.00005 68 2S -0.00005 0.00009 -0.00025 -0.00007 0.00000 69 9 C 1S -0.00001 0.00000 -0.00002 -0.00010 -0.00014 70 2S -0.00006 -0.00002 -0.00005 -0.00011 -0.00029 71 2PX 0.00002 -0.00002 0.00006 0.00013 0.00015 72 2PY 0.00001 0.00000 0.00004 0.00004 -0.00001 73 2PZ 0.00000 -0.00003 0.00000 0.00020 0.00028 74 3S 0.00050 -0.00001 0.00051 -0.00024 0.00028 75 3PX -0.00005 -0.00011 -0.00002 -0.00052 -0.00141 76 3PY -0.00008 0.00018 0.00001 -0.00018 -0.00084 77 3PZ -0.00027 0.00037 -0.00042 -0.00026 -0.00057 78 4XX -0.00002 0.00002 -0.00003 -0.00006 -0.00011 79 4YY -0.00001 -0.00001 -0.00002 -0.00010 -0.00010 80 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00017 81 4XY 0.00000 0.00000 -0.00002 -0.00002 0.00005 82 4XZ -0.00001 0.00003 -0.00003 -0.00001 -0.00003 83 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 84 10 H 1S 0.00000 -0.00003 0.00001 0.00005 0.00013 85 2S 0.00006 -0.00011 0.00012 0.00048 0.00083 86 11 H 1S -0.00004 0.00009 -0.00007 -0.00004 -0.00018 87 2S 0.00000 -0.00045 0.00010 -0.00027 -0.00023 88 12 C 1S 0.00000 -0.00001 -0.00002 -0.00010 0.00014 89 2S -0.00002 -0.00006 -0.00005 -0.00012 0.00029 90 2PX -0.00002 0.00002 0.00006 0.00013 -0.00015 91 2PY 0.00000 -0.00001 -0.00004 -0.00004 -0.00001 92 2PZ -0.00003 0.00000 0.00000 0.00021 -0.00027 93 3S -0.00004 0.00049 0.00051 -0.00022 -0.00029 94 3PX -0.00011 -0.00005 -0.00001 -0.00055 0.00140 95 3PY -0.00019 0.00007 -0.00001 0.00020 -0.00084 96 3PZ 0.00039 -0.00025 -0.00041 -0.00027 0.00056 97 4XX 0.00002 -0.00002 -0.00003 -0.00006 0.00011 98 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 99 4ZZ -0.00002 -0.00002 0.00002 -0.00011 0.00016 100 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 101 4XZ 0.00003 -0.00001 -0.00003 -0.00001 0.00003 102 4YZ 0.00000 -0.00001 0.00001 0.00004 0.00003 103 13 H 1S 0.00009 -0.00003 -0.00007 -0.00005 0.00018 104 2S -0.00045 -0.00002 0.00011 -0.00027 0.00023 105 14 H 1S -0.00003 0.00000 0.00001 0.00005 -0.00013 106 2S -0.00011 0.00006 0.00012 0.00050 -0.00082 107 15 C 1S 0.00001 -0.00001 -0.00012 0.70938 -0.69495 108 2S 0.00030 0.00007 -0.00038 0.03497 -0.03524 109 2PX -0.00026 0.00004 -0.00006 -0.00041 0.00035 110 2PY -0.00015 -0.00002 -0.00014 -0.00024 -0.00010 111 2PZ 0.00021 -0.00003 0.00002 0.00061 -0.00066 112 3S -0.00225 0.00022 0.00089 -0.00735 0.01891 113 3PX 0.00104 -0.00037 -0.00066 -0.00005 -0.00024 114 3PY 0.00064 0.00007 0.00057 0.00042 0.00481 115 3PZ -0.00088 0.00041 0.00081 -0.00083 0.00264 116 4XX 0.00012 -0.00003 0.00007 -0.00645 0.00605 117 4YY 0.00010 -0.00011 -0.00003 -0.00651 0.00583 118 4ZZ 0.00006 -0.00003 -0.00003 -0.00641 0.00598 119 4XY 0.00008 0.00002 -0.00004 0.00009 0.00002 120 4XZ -0.00007 0.00001 -0.00018 -0.00019 0.00019 121 4YZ -0.00007 -0.00003 0.00000 0.00007 -0.00001 122 16 H 1S 0.00010 0.00005 0.00006 -0.00026 0.00012 123 2S 0.00003 0.00012 0.00039 0.00140 -0.00069 124 17 C 1S -0.00001 0.00001 -0.00012 0.69461 0.70971 125 2S 0.00005 0.00031 -0.00038 0.03423 0.03597 126 2PX 0.00005 -0.00026 -0.00006 -0.00040 -0.00036 127 2PY 0.00002 0.00015 0.00014 0.00024 -0.00010 128 2PZ -0.00004 0.00020 0.00002 0.00060 0.00067 129 3S 0.00032 -0.00224 0.00089 -0.00697 -0.01907 130 3PX -0.00042 0.00102 -0.00066 -0.00005 0.00024 131 3PY -0.00004 -0.00064 -0.00057 -0.00052 0.00480 132 3PZ 0.00045 -0.00086 0.00080 -0.00078 -0.00265 133 4XX -0.00004 0.00012 0.00007 -0.00633 -0.00618 134 4YY -0.00011 0.00010 -0.00003 -0.00638 -0.00596 135 4ZZ -0.00004 0.00005 -0.00003 -0.00628 -0.00611 136 4XY -0.00002 -0.00008 0.00004 -0.00009 0.00002 137 4XZ 0.00002 -0.00007 -0.00018 -0.00019 -0.00019 138 4YZ 0.00003 0.00007 0.00000 -0.00007 -0.00001 139 18 H 1S 0.00005 0.00011 0.00006 -0.00026 -0.00012 140 2S 0.00011 0.00004 0.00039 0.00139 0.00072 141 19 O 1S 0.99246 0.02202 -0.00007 -0.00004 0.00014 142 2S 0.02573 0.00064 0.00001 0.00009 0.00035 143 2PX 0.00026 0.00000 0.00009 -0.00008 0.00006 144 2PY 0.00088 0.00000 0.00000 0.00004 0.00004 145 2PZ -0.00010 0.00002 -0.00006 0.00006 -0.00002 146 3S 0.01320 0.00010 0.00114 0.00004 -0.00351 147 3PX 0.00036 -0.00010 -0.00053 0.00028 -0.00045 148 3PY 0.00038 0.00010 -0.00039 -0.00072 -0.00032 149 3PZ -0.00015 0.00000 0.00039 -0.00014 -0.00008 150 4XX -0.00822 -0.00016 -0.00010 -0.00016 0.00038 151 4YY -0.00830 -0.00022 -0.00050 -0.00004 0.00038 152 4ZZ -0.00822 -0.00016 -0.00002 -0.00008 0.00034 153 4XY 0.00001 -0.00001 0.00016 -0.00010 0.00017 154 4XZ 0.00004 0.00002 0.00020 0.00032 -0.00037 155 4YZ -0.00002 0.00000 -0.00020 0.00005 -0.00013 156 20 O 1S -0.02201 0.99246 -0.00007 -0.00003 -0.00014 157 2S -0.00051 0.02573 0.00001 0.00009 -0.00035 158 2PX -0.00001 0.00026 0.00009 -0.00008 -0.00006 159 2PY 0.00004 -0.00088 0.00000 -0.00004 0.00003 160 2PZ 0.00002 -0.00010 -0.00006 0.00006 0.00002 161 3S -0.00048 0.01319 0.00114 -0.00003 0.00352 162 3PX -0.00012 0.00035 -0.00053 0.00028 0.00045 163 3PY -0.00009 -0.00038 0.00039 0.00073 -0.00031 164 3PZ 0.00001 -0.00015 0.00039 -0.00014 0.00007 165 4XX 0.00021 -0.00822 -0.00010 -0.00015 -0.00039 166 4YY 0.00014 -0.00830 -0.00050 -0.00003 -0.00038 167 4ZZ 0.00020 -0.00822 -0.00002 -0.00008 -0.00034 168 4XY 0.00001 -0.00001 -0.00016 0.00009 0.00017 169 4XZ 0.00002 0.00004 0.00020 0.00031 0.00038 170 4YZ 0.00000 0.00002 0.00020 -0.00004 -0.00013 171 21 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 172 2S 0.00024 0.00025 0.04864 -0.00058 -0.00001 173 2PX 0.00011 0.00012 0.00077 0.00008 0.00000 174 2PY -0.00030 0.00029 0.00000 0.00000 -0.00008 175 2PZ -0.00014 -0.00015 -0.00067 -0.00010 0.00000 176 3S -0.00197 -0.00206 -0.01350 0.00274 0.00003 177 3PX -0.00029 -0.00031 -0.00060 0.00136 0.00001 178 3PY 0.00082 -0.00079 0.00000 0.00000 -0.00025 179 3PZ 0.00040 0.00042 -0.00001 -0.00099 -0.00001 180 4XX 0.00006 0.00006 -0.00875 0.00007 0.00000 181 4YY 0.00027 0.00028 -0.00875 0.00003 0.00000 182 4ZZ 0.00007 0.00007 -0.00878 0.00002 0.00000 183 4XY -0.00010 0.00009 0.00000 0.00000 0.00002 184 4XZ -0.00007 -0.00007 -0.00006 -0.00025 0.00000 185 4YZ 0.00012 -0.00011 0.00000 0.00000 -0.00003 186 22 H 1S 0.00012 0.00013 -0.00018 -0.00007 0.00000 187 2S 0.00009 0.00010 0.00240 0.00015 0.00000 188 23 H 1S 0.00008 0.00008 -0.00007 -0.00013 0.00000 189 2S 0.00012 0.00012 0.00276 -0.00005 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 1 1 C 1S -0.23102 0.96561 -0.01420 0.01372 -0.01282 2 2S -0.01270 0.04905 -0.00084 0.00072 -0.00086 3 2PX 0.00021 -0.00026 0.00001 0.00004 -0.00019 4 2PY -0.00039 0.00037 -0.00005 -0.00002 -0.00009 5 2PZ -0.00004 0.00002 -0.00011 -0.00009 0.00010 6 3S 0.01225 -0.02223 0.00290 -0.00388 0.00267 7 3PX 0.00042 -0.00003 -0.00062 0.00047 0.00096 8 3PY 0.00509 -0.00444 0.00039 -0.00096 0.00067 9 3PZ 0.00032 -0.00026 0.00170 -0.00176 -0.00085 10 4XX 0.00173 -0.00858 -0.00001 -0.00007 -0.00002 11 4YY 0.00174 -0.00836 0.00008 -0.00004 0.00009 12 4ZZ 0.00180 -0.00854 -0.00013 0.00010 0.00000 13 4XY 0.00001 0.00010 0.00003 -0.00006 -0.00003 14 4XZ -0.00005 -0.00016 0.00004 -0.00002 0.00008 15 4YZ 0.00001 -0.00005 -0.00006 0.00003 0.00002 16 2 H 1S 0.00011 -0.00021 -0.00011 0.00006 -0.00004 17 2S 0.00067 0.00157 -0.00002 0.00006 0.00009 18 3 C 1S -0.00370 0.01651 -0.00069 0.00056 0.72688 19 2S 0.00003 0.00021 -0.00022 0.00022 0.03612 20 2PX 0.00007 0.00011 0.00005 -0.00008 -0.00025 21 2PY -0.00009 0.00013 -0.00007 -0.00004 -0.00013 22 2PZ 0.00003 -0.00020 -0.00011 0.00007 -0.00001 23 3S -0.00745 0.00839 0.00052 -0.00041 -0.00824 24 3PX 0.00280 -0.00311 -0.00035 0.00050 0.00101 25 3PY -0.00113 0.00019 -0.00003 0.00006 0.00055 26 3PZ -0.00310 0.00319 0.00033 -0.00030 -0.00048 27 4XX 0.00007 -0.00031 -0.00008 0.00004 -0.00695 28 4YY 0.00015 -0.00034 -0.00002 0.00003 -0.00698 29 4ZZ 0.00007 -0.00036 -0.00004 0.00003 -0.00688 30 4XY 0.00002 -0.00016 0.00007 -0.00002 0.00001 31 4XZ -0.00002 0.00004 -0.00005 0.00004 -0.00011 32 4YZ -0.00003 0.00012 0.00000 -0.00005 0.00001 33 4 H 1S -0.00009 -0.00003 0.00001 -0.00001 -0.00032 34 2S -0.00081 0.00085 0.00026 -0.00024 0.00137 35 5 C 1S 0.01631 0.00414 -0.00067 -0.00057 0.67578 36 2S 0.00017 0.00012 -0.00022 -0.00022 0.03353 37 2PX 0.00006 0.00011 0.00005 0.00008 -0.00023 38 2PY -0.00016 0.00002 0.00007 -0.00004 0.00015 39 2PZ -0.00019 -0.00007 -0.00010 -0.00007 -0.00002 40 3S 0.01085 -0.00285 0.00052 0.00043 -0.00700 41 3PX -0.00404 0.00109 -0.00034 -0.00051 0.00083 42 3PY -0.00070 0.00093 0.00002 0.00006 -0.00079 43 3PZ 0.00424 -0.00132 0.00032 0.00031 -0.00035 44 4XX -0.00031 -0.00008 -0.00007 -0.00004 -0.00648 45 4YY -0.00037 -0.00002 -0.00002 -0.00003 -0.00654 46 4ZZ -0.00035 -0.00010 -0.00004 -0.00003 -0.00641 47 4XY 0.00015 0.00006 -0.00007 -0.00002 0.00000 48 4XZ 0.00005 0.00001 -0.00005 -0.00004 -0.00010 49 4YZ -0.00012 -0.00003 0.00000 -0.00005 -0.00001 50 6 H 1S 0.00002 -0.00009 0.00001 0.00001 -0.00030 51 2S 0.00112 -0.00034 0.00026 0.00024 0.00132 52 7 C 1S 0.96572 0.23060 -0.01378 -0.01392 -0.01187 53 2S 0.04949 0.01085 -0.00082 -0.00073 -0.00080 54 2PX -0.00032 0.00007 0.00001 -0.00004 -0.00018 55 2PY -0.00051 0.00018 0.00005 -0.00002 0.00009 56 2PZ 0.00004 -0.00003 -0.00012 0.00008 0.00010 57 3S -0.02538 0.00087 0.00281 0.00394 0.00233 58 3PX -0.00023 0.00037 -0.00060 -0.00048 0.00089 59 3PY 0.00626 -0.00253 -0.00037 -0.00097 -0.00054 60 3PZ -0.00037 0.00017 0.00165 0.00179 -0.00081 61 4XX -0.00843 -0.00234 -0.00001 0.00007 -0.00001 62 4YY -0.00824 -0.00223 0.00008 0.00004 0.00010 63 4ZZ -0.00843 -0.00226 -0.00013 -0.00010 0.00000 64 4XY -0.00008 -0.00006 -0.00003 -0.00007 0.00003 65 4XZ -0.00012 -0.00011 0.00004 0.00002 0.00007 66 4YZ 0.00005 0.00001 0.00006 0.00003 -0.00001 67 8 H 1S -0.00024 0.00001 -0.00011 -0.00006 -0.00004 68 2S 0.00110 0.00131 -0.00002 -0.00006 0.00008 69 9 C 1S 0.01882 0.00462 0.69416 0.70997 0.00036 70 2S 0.00055 0.00025 0.03490 0.03642 -0.00014 71 2PX -0.00011 0.00002 -0.00001 -0.00002 -0.00010 72 2PY -0.00007 0.00003 0.00003 -0.00003 0.00004 73 2PZ -0.00016 0.00016 -0.00014 -0.00020 0.00004 74 3S 0.00789 -0.00158 -0.01046 -0.01984 0.00036 75 3PX 0.00201 -0.00079 0.00002 0.00000 0.00036 76 3PY -0.00010 0.00054 -0.00124 0.00266 0.00002 77 3PZ -0.00325 0.00050 0.00083 0.00193 -0.00019 78 4XX -0.00025 -0.00012 -0.00621 -0.00608 -0.00007 79 4YY -0.00031 -0.00010 -0.00657 -0.00605 -0.00005 80 4ZZ -0.00033 -0.00018 -0.00630 -0.00618 0.00000 81 4XY -0.00006 0.00000 0.00001 0.00000 0.00001 82 4XZ 0.00009 0.00001 0.00003 0.00004 -0.00003 83 4YZ 0.00022 0.00006 0.00006 -0.00005 -0.00002 84 10 H 1S -0.00040 0.00010 -0.00009 0.00020 -0.00005 85 2S -0.00004 0.00019 0.00176 0.00179 -0.00013 86 11 H 1S -0.00016 -0.00002 -0.00010 0.00031 0.00001 87 2S 0.00056 -0.00022 0.00218 0.00214 0.00029 88 12 C 1S -0.00443 0.01903 0.70972 -0.69440 0.00038 89 2S -0.00003 0.00061 0.03569 -0.03563 -0.00015 90 2PX 0.00007 -0.00009 -0.00001 0.00002 -0.00011 91 2PY -0.00006 0.00004 -0.00002 -0.00003 -0.00004 92 2PZ 0.00022 -0.00007 -0.00015 0.00019 0.00004 93 3S -0.00498 0.00631 -0.01090 0.01961 0.00033 94 3PX -0.00162 0.00145 0.00002 0.00000 0.00038 95 3PY -0.00053 -0.00015 0.00117 0.00269 -0.00001 96 3PZ 0.00191 -0.00267 0.00088 -0.00191 -0.00019 97 4XX 0.00001 -0.00028 -0.00634 0.00594 -0.00007 98 4YY 0.00005 -0.00032 -0.00670 0.00590 -0.00005 99 4ZZ -0.00001 -0.00038 -0.00643 0.00604 0.00000 100 4XY -0.00002 0.00005 0.00000 0.00000 0.00000 101 4XZ -0.00003 0.00009 0.00003 -0.00004 -0.00004 102 4YZ 0.00005 -0.00022 -0.00005 -0.00005 0.00002 103 13 H 1S 0.00006 -0.00015 -0.00010 -0.00031 0.00001 104 2S -0.00046 0.00040 0.00222 -0.00209 0.00032 105 14 H 1S 0.00027 -0.00031 -0.00009 -0.00020 -0.00005 106 2S 0.00019 0.00005 0.00180 -0.00175 -0.00014 107 15 C 1S 0.00011 -0.00019 0.00002 0.00002 0.00002 108 2S 0.00078 -0.00116 -0.00014 0.00039 -0.00004 109 2PX 0.00012 -0.00019 -0.00004 0.00004 -0.00015 110 2PY -0.00010 0.00001 -0.00016 -0.00001 0.00001 111 2PZ 0.00004 -0.00006 -0.00016 0.00021 0.00000 112 3S -0.00658 0.00693 0.00028 -0.00367 -0.00017 113 3PX -0.00050 0.00092 -0.00035 0.00111 0.00086 114 3PY -0.00198 0.00054 0.00051 -0.00200 0.00015 115 3PZ -0.00235 0.00223 0.00083 -0.00241 -0.00043 116 4XX 0.00003 -0.00005 -0.00012 0.00011 -0.00015 117 4YY 0.00013 -0.00027 -0.00008 0.00005 -0.00007 118 4ZZ 0.00012 -0.00026 -0.00009 0.00012 -0.00013 119 4XY -0.00008 -0.00003 0.00002 -0.00005 -0.00005 120 4XZ 0.00001 0.00007 -0.00005 0.00009 0.00008 121 4YZ -0.00006 -0.00003 -0.00005 -0.00004 0.00006 122 16 H 1S 0.00011 -0.00024 0.00008 -0.00014 -0.00012 123 2S -0.00048 -0.00003 0.00059 -0.00117 -0.00008 124 17 C 1S -0.00022 0.00001 0.00002 -0.00002 0.00002 125 2S -0.00139 0.00017 -0.00013 -0.00039 -0.00005 126 2PX -0.00022 0.00002 -0.00004 -0.00004 -0.00014 127 2PY -0.00005 0.00008 0.00016 -0.00001 0.00000 128 2PZ -0.00007 0.00001 -0.00015 -0.00021 -0.00001 129 3S 0.00916 -0.00275 0.00020 0.00368 -0.00011 130 3PX 0.00105 -0.00003 -0.00032 -0.00112 0.00074 131 3PY -0.00138 0.00153 -0.00047 -0.00202 -0.00016 132 3PZ 0.00305 -0.00109 0.00078 0.00243 -0.00033 133 4XX -0.00005 0.00000 -0.00012 -0.00012 -0.00014 134 4YY -0.00030 0.00000 -0.00008 -0.00005 -0.00006 135 4ZZ -0.00029 -0.00001 -0.00008 -0.00012 -0.00013 136 4XY -0.00001 0.00008 -0.00002 -0.00005 0.00006 137 4XZ 0.00006 0.00004 -0.00005 -0.00010 0.00008 138 4YZ 0.00000 0.00007 0.00006 -0.00004 -0.00006 139 18 H 1S -0.00026 -0.00001 0.00008 0.00014 -0.00010 140 2S 0.00019 -0.00045 0.00056 0.00119 -0.00006 141 19 O 1S -0.00007 0.00008 0.00006 -0.00002 -0.00004 142 2S -0.00036 0.00038 0.00028 -0.00016 -0.00020 143 2PX -0.00004 0.00007 0.00001 0.00002 0.00000 144 2PY -0.00002 0.00001 0.00002 0.00003 -0.00001 145 2PZ -0.00003 -0.00001 0.00002 0.00001 0.00003 146 3S 0.00223 -0.00225 -0.00151 0.00144 0.00109 147 3PX 0.00086 -0.00109 -0.00024 0.00052 0.00031 148 3PY 0.00046 -0.00017 -0.00044 0.00019 0.00016 149 3PZ -0.00005 0.00034 -0.00014 -0.00022 -0.00033 150 4XX -0.00009 0.00008 0.00016 0.00001 -0.00008 151 4YY -0.00021 0.00025 0.00011 -0.00007 -0.00012 152 4ZZ -0.00023 0.00030 0.00019 -0.00006 -0.00010 153 4XY 0.00005 -0.00004 -0.00004 0.00004 0.00004 154 4XZ -0.00001 0.00002 0.00000 0.00002 -0.00006 155 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 156 20 O 1S 0.00010 -0.00003 0.00006 0.00003 -0.00004 157 2S 0.00050 -0.00015 0.00028 0.00016 -0.00018 158 2PX 0.00008 -0.00001 0.00001 -0.00002 0.00000 159 2PY -0.00002 0.00001 -0.00002 0.00003 0.00001 160 2PZ 0.00000 -0.00003 0.00002 0.00000 0.00003 161 3S -0.00301 0.00098 -0.00148 -0.00147 0.00095 162 3PX -0.00136 0.00028 -0.00022 -0.00053 0.00027 163 3PY 0.00036 -0.00033 0.00044 0.00020 -0.00015 164 3PZ 0.00032 0.00011 -0.00015 0.00022 -0.00030 165 4XX 0.00011 -0.00004 0.00016 -0.00001 -0.00008 166 4YY 0.00032 -0.00008 0.00011 0.00007 -0.00011 167 4ZZ 0.00037 -0.00007 0.00018 0.00006 -0.00009 168 4XY 0.00006 -0.00003 0.00004 0.00004 -0.00004 169 4XZ 0.00002 0.00001 0.00000 -0.00002 -0.00005 170 4YZ 0.00001 0.00001 0.00001 -0.00004 0.00004 171 21 C 1S 0.00001 0.00002 0.00000 0.00000 -0.00001 172 2S 0.00009 0.00015 -0.00003 0.00000 -0.00008 173 2PX 0.00006 0.00009 -0.00002 0.00000 0.00000 174 2PY 0.00010 -0.00006 0.00000 0.00002 0.00000 175 2PZ 0.00003 0.00005 -0.00010 0.00000 0.00003 176 3S -0.00046 -0.00074 0.00104 0.00001 0.00030 177 3PX -0.00034 -0.00055 0.00041 0.00001 0.00000 178 3PY -0.00021 0.00013 0.00000 -0.00026 0.00000 179 3PZ -0.00010 -0.00016 0.00032 0.00000 -0.00006 180 4XX 0.00003 0.00006 -0.00007 0.00000 -0.00002 181 4YY 0.00001 0.00001 0.00003 0.00000 0.00001 182 4ZZ 0.00003 0.00005 -0.00001 0.00000 -0.00004 183 4XY 0.00004 -0.00002 0.00000 -0.00003 0.00000 184 4XZ 0.00001 0.00002 -0.00001 0.00000 0.00000 185 4YZ 0.00004 -0.00002 0.00000 0.00002 0.00000 186 22 H 1S -0.00001 -0.00002 -0.00002 0.00000 -0.00001 187 2S -0.00013 -0.00022 0.00013 0.00000 -0.00005 188 23 H 1S 0.00005 0.00008 -0.00004 0.00000 0.00001 189 2S 0.00017 0.00027 -0.00076 -0.00001 -0.00006 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10716 -1.01319 -0.82908 -0.76591 1 1 C 1S 0.01162 -0.00187 0.00246 -0.09139 0.01330 2 2S 0.00071 0.00224 -0.00017 0.17063 -0.02642 3 2PX 0.00008 -0.00154 0.00108 0.02427 -0.01433 4 2PY 0.00010 0.00063 0.00058 0.04656 -0.00802 5 2PZ -0.00002 -0.00023 0.00070 0.00319 -0.01050 6 3S -0.00437 0.00685 -0.02162 0.13182 -0.01344 7 3PX -0.00089 -0.00008 0.00423 0.00048 -0.00160 8 3PY -0.00159 0.00219 -0.01159 0.01390 0.00133 9 3PZ 0.00058 -0.00033 -0.00365 0.00079 -0.00606 10 4XX 0.00009 0.00010 0.00016 -0.00551 0.00154 11 4YY 0.00006 -0.00028 0.00082 0.00087 -0.00027 12 4ZZ 0.00002 -0.00022 0.00068 -0.00067 -0.00068 13 4XY 0.00005 -0.00001 0.00005 0.00343 -0.00112 14 4XZ -0.00015 -0.00007 0.00012 -0.00599 0.00192 15 4YZ -0.00006 -0.00001 -0.00009 0.00073 -0.00091 16 2 H 1S -0.00001 0.00044 -0.00093 0.03736 -0.00459 17 2S -0.00012 0.00104 -0.00364 0.00635 0.00023 18 3 C 1S -0.67608 -0.00034 -0.00003 -0.09539 0.01858 19 2S -0.03429 0.00232 -0.00270 0.18222 -0.03484 20 2PX 0.00025 -0.00108 0.00074 -0.03994 0.00121 21 2PY -0.00029 0.00042 0.00050 0.02992 -0.00672 22 2PZ -0.00005 0.00015 -0.00009 0.03311 -0.00786 23 3S 0.01669 -0.00444 0.02195 0.11191 -0.03011 24 3PX -0.00236 0.00291 -0.00854 -0.00065 0.00200 25 3PY 0.00340 -0.00017 0.01025 0.00184 -0.00011 26 3PZ 0.00170 -0.00115 0.00565 -0.00173 -0.00221 27 4XX 0.00621 0.00025 -0.00018 -0.00441 0.00179 28 4YY 0.00586 0.00030 -0.00009 0.00298 -0.00056 29 4ZZ 0.00613 0.00041 -0.00045 -0.00337 0.00066 30 4XY -0.00012 -0.00008 -0.00026 0.00028 -0.00023 31 4XZ 0.00014 0.00007 -0.00015 -0.00711 0.00167 32 4YZ 0.00004 0.00004 0.00006 0.00046 -0.00014 33 4 H 1S 0.00024 0.00012 0.00004 0.03708 -0.00832 34 2S -0.00070 -0.00043 0.00320 0.00181 -0.00145 35 5 C 1S 0.72716 -0.00034 0.00002 -0.09538 0.01851 36 2S 0.03682 0.00232 0.00271 0.18220 -0.03470 37 2PX -0.00027 -0.00108 -0.00075 -0.03993 0.00115 38 2PY -0.00028 -0.00042 0.00050 -0.03003 0.00681 39 2PZ 0.00005 0.00015 0.00009 0.03305 -0.00781 40 3S -0.01724 -0.00444 -0.02195 0.11184 -0.03009 41 3PX 0.00243 0.00292 0.00854 -0.00062 0.00204 42 3PY 0.00335 0.00016 0.01027 -0.00183 0.00015 43 3PZ -0.00173 -0.00115 -0.00563 -0.00175 -0.00223 44 4XX -0.00670 0.00025 0.00018 -0.00440 0.00179 45 4YY -0.00635 0.00030 0.00009 0.00298 -0.00056 46 4ZZ -0.00661 0.00041 0.00045 -0.00337 0.00067 47 4XY -0.00012 0.00008 -0.00026 -0.00028 0.00023 48 4XZ -0.00014 0.00007 0.00015 -0.00711 0.00166 49 4YZ 0.00004 -0.00005 0.00006 -0.00046 0.00015 50 6 H 1S -0.00026 0.00012 -0.00004 0.03707 -0.00828 51 2S 0.00080 -0.00043 -0.00320 0.00180 -0.00145 52 7 C 1S -0.01245 -0.00188 -0.00247 -0.09140 0.01314 53 2S -0.00077 0.00225 0.00018 0.17062 -0.02612 54 2PX -0.00010 -0.00155 -0.00110 0.02436 -0.01436 55 2PY 0.00010 -0.00063 0.00058 -0.04652 0.00800 56 2PZ 0.00002 -0.00023 -0.00071 0.00315 -0.01051 57 3S 0.00454 0.00686 0.02166 0.13191 -0.01315 58 3PX 0.00096 -0.00007 -0.00423 0.00051 -0.00160 59 3PY -0.00163 -0.00220 -0.01161 -0.01395 -0.00134 60 3PZ -0.00064 -0.00035 0.00364 0.00077 -0.00607 61 4XX -0.00010 0.00010 -0.00015 -0.00550 0.00153 62 4YY -0.00005 -0.00028 -0.00082 0.00086 -0.00028 63 4ZZ -0.00002 -0.00022 -0.00068 -0.00068 -0.00068 64 4XY 0.00005 0.00001 0.00005 -0.00343 0.00111 65 4XZ 0.00016 -0.00007 -0.00012 -0.00599 0.00192 66 4YZ -0.00006 0.00001 -0.00009 -0.00074 0.00092 67 8 H 1S 0.00001 0.00044 0.00093 0.03737 -0.00450 68 2S 0.00013 0.00104 0.00364 0.00636 0.00025 69 9 C 1S 0.00028 -0.00166 -0.00115 -0.08158 0.02462 70 2S -0.00014 0.00239 0.00198 0.15286 -0.04704 71 2PX -0.00008 -0.00108 -0.00111 0.01408 -0.00546 72 2PY -0.00003 0.00017 0.00083 -0.01816 0.00665 73 2PZ 0.00009 -0.00087 -0.00018 -0.03443 0.00012 74 3S -0.00016 -0.00019 -0.00795 0.11363 -0.03485 75 3PX 0.00036 -0.00160 -0.00279 0.00243 -0.00123 76 3PY -0.00006 -0.00161 -0.00171 -0.00281 0.00329 77 3PZ -0.00005 -0.00105 0.00241 -0.00208 0.00027 78 4XX -0.00005 0.00007 0.00018 -0.00224 0.00040 79 4YY -0.00004 -0.00016 -0.00028 0.00150 -0.00058 80 4ZZ -0.00001 -0.00021 -0.00035 0.00108 0.00073 81 4XY -0.00004 -0.00001 0.00000 0.00006 0.00006 82 4XZ -0.00002 0.00030 0.00037 -0.00194 0.00065 83 4YZ 0.00001 -0.00008 -0.00004 -0.00015 -0.00012 84 10 H 1S -0.00005 0.00050 0.00061 0.03922 -0.01536 85 2S -0.00007 0.00121 0.00136 0.00320 -0.00367 86 11 H 1S 0.00002 0.00209 0.00254 0.03706 -0.01327 87 2S 0.00034 0.00186 0.00188 0.00201 -0.00617 88 12 C 1S -0.00025 -0.00166 0.00115 -0.08157 0.02469 89 2S 0.00013 0.00239 -0.00197 0.15285 -0.04717 90 2PX 0.00007 -0.00108 0.00111 0.01409 -0.00547 91 2PY -0.00003 -0.00017 0.00083 0.01823 -0.00659 92 2PZ -0.00008 -0.00086 0.00018 -0.03440 0.00016 93 3S 0.00019 -0.00019 0.00794 0.11366 -0.03492 94 3PX -0.00034 -0.00161 0.00280 0.00241 -0.00123 95 3PY -0.00006 0.00162 -0.00170 0.00282 -0.00326 96 3PZ 0.00004 -0.00105 -0.00241 -0.00209 0.00026 97 4XX 0.00005 0.00007 -0.00018 -0.00223 0.00040 98 4YY 0.00004 -0.00016 0.00028 0.00150 -0.00058 99 4ZZ 0.00001 -0.00021 0.00035 0.00107 0.00072 100 4XY -0.00004 0.00001 0.00000 -0.00006 -0.00006 101 4XZ 0.00002 0.00030 -0.00037 -0.00194 0.00065 102 4YZ 0.00001 0.00008 -0.00004 0.00015 0.00011 103 13 H 1S -0.00002 0.00209 -0.00253 0.03705 -0.01331 104 2S -0.00031 0.00186 -0.00187 0.00200 -0.00618 105 14 H 1S 0.00005 0.00050 -0.00061 0.03921 -0.01539 106 2S 0.00006 0.00121 -0.00136 0.00321 -0.00367 107 15 C 1S -0.00001 -0.05625 0.04406 -0.02570 -0.12240 108 2S -0.00003 0.10433 -0.08660 0.05205 0.24580 109 2PX 0.00007 -0.05983 0.06050 0.01487 -0.02200 110 2PY -0.00003 0.00904 0.04369 0.01420 0.06650 111 2PZ -0.00003 0.04389 -0.04451 0.00152 -0.00981 112 3S 0.00084 0.03493 0.00910 0.03215 0.17209 113 3PX -0.00156 0.00368 -0.01822 0.00320 0.00226 114 3PY 0.00011 -0.00023 0.01690 0.00196 0.01028 115 3PZ 0.00137 -0.00412 0.02571 -0.00107 -0.00590 116 4XX 0.00011 0.00382 -0.00643 -0.00140 -0.00970 117 4YY 0.00005 -0.00147 0.00861 0.00138 0.00604 118 4ZZ 0.00005 -0.00073 -0.00180 -0.00082 -0.00696 119 4XY -0.00002 0.00228 -0.00614 0.00011 0.00065 120 4XZ -0.00007 -0.01132 0.01154 0.00055 -0.00475 121 4YZ -0.00005 -0.00085 0.00360 0.00100 0.00233 122 16 H 1S 0.00023 0.01252 -0.01446 0.01509 0.06812 123 2S 0.00031 -0.00348 0.00849 0.00255 0.01258 124 17 C 1S 0.00001 -0.05618 -0.04410 -0.02572 -0.12240 125 2S 0.00003 0.10419 0.08668 0.05209 0.24579 126 2PX -0.00008 -0.05976 -0.06055 0.01489 -0.02209 127 2PY -0.00003 -0.00919 0.04353 -0.01418 -0.06650 128 2PZ 0.00003 0.04376 0.04458 0.00149 -0.01001 129 3S -0.00085 0.03497 -0.00909 0.03220 0.17213 130 3PX 0.00162 0.00364 0.01821 0.00320 0.00225 131 3PY 0.00011 0.00018 0.01694 -0.00195 -0.01027 132 3PZ -0.00140 -0.00405 -0.02567 -0.00106 -0.00591 133 4XX -0.00012 0.00382 0.00644 -0.00140 -0.00970 134 4YY -0.00005 -0.00146 -0.00862 0.00137 0.00603 135 4ZZ -0.00006 -0.00073 0.00181 -0.00082 -0.00696 136 4XY -0.00002 -0.00224 -0.00612 -0.00011 -0.00064 137 4XZ 0.00008 -0.01130 -0.01155 0.00055 -0.00474 138 4YZ -0.00005 0.00084 0.00357 -0.00099 -0.00230 139 18 H 1S -0.00024 0.01251 0.01448 0.01509 0.06814 140 2S -0.00031 -0.00344 -0.00846 0.00254 0.01259 141 19 O 1S 0.00006 -0.13133 0.15235 0.00882 0.01420 142 2S 0.00029 0.28430 -0.33465 -0.02048 -0.03362 143 2PX 0.00002 0.02242 -0.03038 0.02008 0.12270 144 2PY 0.00000 0.08694 -0.06080 -0.00852 -0.03548 145 2PZ -0.00003 -0.00830 0.01424 -0.01175 -0.10847 146 3S -0.00180 0.28852 -0.35784 -0.02271 -0.03742 147 3PX -0.00051 0.00923 -0.02340 0.00988 0.05545 148 3PY -0.00019 0.05301 -0.03670 -0.00478 -0.01549 149 3PZ 0.00039 -0.00211 0.01097 -0.00502 -0.04938 150 4XX 0.00011 -0.00171 0.00000 0.00129 0.00396 151 4YY 0.00018 0.00722 0.00050 -0.00136 -0.00581 152 4ZZ 0.00016 -0.00460 0.00386 0.00017 0.00100 153 4XY -0.00004 0.00045 -0.00198 0.00195 0.01123 154 4XZ 0.00004 -0.00716 0.00771 -0.00022 -0.00387 155 4YZ 0.00003 0.00192 -0.00020 -0.00133 -0.01024 156 20 O 1S -0.00006 -0.13116 -0.15249 0.00884 0.01418 157 2S -0.00030 0.28394 0.33493 -0.02050 -0.03358 158 2PX -0.00002 0.02238 0.03038 0.02009 0.12266 159 2PY 0.00000 -0.08685 -0.06087 0.00856 0.03572 160 2PZ 0.00003 -0.00841 -0.01430 -0.01173 -0.10836 161 3S 0.00187 0.28814 0.35814 -0.02277 -0.03737 162 3PX 0.00053 0.00922 0.02342 0.00987 0.05543 163 3PY -0.00020 -0.05295 -0.03674 0.00480 0.01559 164 3PZ -0.00041 -0.00219 -0.01102 -0.00501 -0.04933 165 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 166 4YY -0.00019 0.00722 -0.00049 -0.00136 -0.00584 167 4ZZ -0.00016 -0.00460 -0.00388 0.00018 0.00103 168 4XY -0.00004 -0.00044 -0.00197 -0.00195 -0.01122 169 4XZ -0.00005 -0.00716 -0.00772 -0.00022 -0.00389 170 4YZ 0.00003 -0.00190 -0.00020 0.00132 0.01022 171 21 C 1S 0.00000 -0.08319 -0.00007 0.01835 0.11738 172 2S 0.00000 0.16015 0.00014 -0.03864 -0.24499 173 2PX 0.00000 0.06131 0.00003 -0.00171 0.01011 174 2PY -0.00002 0.00002 0.12748 -0.00002 0.00003 175 2PZ 0.00000 -0.05990 0.00008 0.00671 -0.00419 176 3S 0.00001 0.02856 0.00005 -0.02225 -0.17824 177 3PX 0.00000 -0.00867 -0.00001 0.00494 0.00892 178 3PY 0.00011 -0.00001 0.00620 0.00000 0.00002 179 3PZ 0.00000 0.01226 0.00002 -0.00136 -0.00931 180 4XX 0.00000 -0.00115 -0.00001 0.00107 0.00504 181 4YY 0.00000 0.00726 0.00004 -0.00129 -0.00324 182 4ZZ 0.00000 -0.00225 -0.00003 0.00059 0.00459 183 4XY 0.00000 0.00000 0.01756 0.00000 0.00001 184 4XZ 0.00000 -0.00959 0.00001 0.00019 -0.00357 185 4YZ -0.00001 0.00002 -0.01776 0.00000 -0.00001 186 22 H 1S 0.00000 0.02455 0.00002 -0.01042 -0.07732 187 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 188 23 H 1S 0.00000 0.02534 0.00002 -0.00826 -0.07517 189 2S 0.00000 -0.00229 -0.00001 0.00196 -0.01513 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60398 1 1 C 1S 0.00750 0.12444 -0.00051 0.00488 0.02268 2 2S -0.01423 -0.24080 0.00023 -0.01134 -0.04698 3 2PX -0.05830 -0.02704 -0.01391 -0.00120 -0.09493 4 2PY -0.01160 -0.00555 0.00030 -0.00297 -0.00541 5 2PZ 0.09023 -0.00673 -0.00705 -0.04276 0.13784 6 3S -0.01437 -0.21040 0.00801 -0.00054 -0.04364 7 3PX -0.00997 -0.00283 0.00009 -0.00201 -0.02376 8 3PY -0.00628 -0.00250 0.00510 0.00316 0.00095 9 3PZ 0.01542 0.00011 -0.00377 -0.01691 0.03505 10 4XX -0.00217 0.00701 -0.00029 0.00204 -0.00228 11 4YY -0.00063 0.00073 0.00012 -0.00009 -0.00082 12 4ZZ 0.00532 0.00138 -0.00010 -0.00213 0.00682 13 4XY -0.00504 -0.00334 -0.00124 0.00048 -0.00397 14 4XZ 0.00163 0.00666 0.00099 0.00147 0.00266 15 4YZ 0.00739 -0.00133 -0.00059 -0.00148 0.00523 16 2 H 1S -0.00153 -0.07838 0.00122 -0.00014 -0.01619 17 2S -0.00163 -0.01907 0.00016 0.00327 -0.00474 18 3 C 1S 0.10575 0.06438 0.01274 -0.00729 0.08062 19 2S -0.20546 -0.12801 -0.02553 0.01534 -0.16370 20 2PX 0.00709 0.04452 -0.01059 -0.00453 0.02121 21 2PY -0.05181 0.07816 -0.00822 -0.00954 0.10427 22 2PZ 0.01094 -0.03739 -0.00021 -0.00676 0.00049 23 3S -0.15238 -0.07282 -0.02499 0.00483 -0.12765 24 3PX -0.00250 -0.00658 -0.00271 0.00316 -0.00807 25 3PY -0.00492 0.02228 -0.00068 -0.00243 0.03749 26 3PZ 0.00883 0.01009 -0.00272 -0.00498 0.01709 27 4XX 0.00670 -0.00004 0.00186 0.00029 0.00146 28 4YY -0.00489 0.00641 -0.00089 -0.00069 0.00748 29 4ZZ 0.00601 -0.00096 0.00004 -0.00053 0.00056 30 4XY 0.00085 -0.00409 -0.00012 0.00033 -0.00110 31 4XZ 0.00472 0.00712 0.00106 -0.00002 0.00613 32 4YZ -0.00177 0.00270 -0.00031 0.00080 -0.00191 33 4 H 1S -0.06125 -0.03834 -0.01005 0.00877 -0.08120 34 2S -0.01269 -0.00261 -0.00389 0.00345 -0.02733 35 5 C 1S 0.10567 -0.06447 0.01275 0.00724 -0.08070 36 2S -0.20530 0.12818 -0.02555 -0.01523 0.16386 37 2PX 0.00702 -0.04464 -0.01060 0.00460 -0.02127 38 2PY 0.05190 0.07797 0.00820 -0.00968 0.10404 39 2PZ 0.01107 0.03747 -0.00022 0.00669 -0.00046 40 3S -0.15233 0.07294 -0.02509 -0.00473 0.12780 41 3PX -0.00247 0.00657 -0.00267 -0.00315 0.00805 42 3PY 0.00494 0.02229 0.00068 -0.00247 0.03748 43 3PZ 0.00881 -0.01007 -0.00276 0.00495 -0.01707 44 4XX 0.00670 0.00004 0.00186 -0.00029 -0.00146 45 4YY -0.00490 -0.00642 -0.00089 0.00069 -0.00747 46 4ZZ 0.00601 0.00096 0.00004 0.00053 -0.00057 47 4XY -0.00085 -0.00407 0.00012 0.00034 -0.00108 48 4XZ 0.00471 -0.00714 0.00107 0.00002 -0.00613 49 4YZ 0.00176 0.00267 0.00031 0.00080 -0.00193 50 6 H 1S -0.06120 0.03839 -0.01006 -0.00873 0.08127 51 2S -0.01269 0.00262 -0.00390 -0.00343 0.02735 52 7 C 1S 0.00739 -0.12445 -0.00047 -0.00476 -0.02260 53 2S -0.01403 0.24081 0.00014 0.01109 0.04682 54 2PX -0.05826 0.02716 -0.01395 0.00127 0.09490 55 2PY 0.01139 -0.00552 -0.00033 -0.00316 -0.00515 56 2PZ 0.09022 0.00671 -0.00716 0.04278 -0.13780 57 3S -0.01417 0.21046 0.00800 0.00031 0.04351 58 3PX -0.00996 0.00286 0.00010 0.00203 0.02376 59 3PY 0.00623 -0.00250 -0.00513 0.00309 0.00101 60 3PZ 0.01543 -0.00011 -0.00382 0.01692 -0.03504 61 4XX -0.00219 -0.00700 -0.00029 -0.00204 0.00230 62 4YY -0.00060 -0.00073 0.00012 0.00009 0.00080 63 4ZZ 0.00530 -0.00139 -0.00010 0.00214 -0.00681 64 4XY 0.00503 -0.00333 0.00124 0.00048 -0.00396 65 4XZ 0.00164 -0.00666 0.00100 -0.00147 -0.00269 66 4YZ -0.00739 -0.00133 0.00059 -0.00148 0.00524 67 8 H 1S -0.00146 0.07839 0.00119 -0.00001 0.01610 68 2S -0.00161 0.01907 0.00015 -0.00333 0.00471 69 9 C 1S -0.11133 -0.06707 0.00653 -0.03434 0.09317 70 2S 0.21423 0.13002 -0.01241 0.06898 -0.18929 71 2PX -0.00842 0.01547 -0.00763 0.00343 0.01269 72 2PY -0.03641 0.06535 0.00099 0.03471 -0.09507 73 2PZ 0.01718 -0.04143 -0.00618 0.00557 -0.02008 74 3S 0.18759 0.10770 -0.01237 0.06574 -0.17954 75 3PX -0.00518 0.00524 -0.00450 -0.00041 0.00931 76 3PY -0.00547 0.01784 -0.00002 0.00859 -0.03888 77 3PZ 0.00638 -0.00268 -0.00013 0.00281 -0.01639 78 4XX -0.00074 0.00076 0.00011 0.00151 -0.00477 79 4YY 0.00374 -0.00740 -0.00014 -0.00368 0.01016 80 4ZZ -0.00472 0.00512 0.00047 0.00010 0.00048 81 4XY -0.00067 0.00119 0.00021 0.00017 0.00149 82 4XZ 0.00195 -0.00236 0.00017 0.00002 -0.00246 83 4YZ 0.00144 -0.00347 0.00009 0.00087 -0.00254 84 10 H 1S 0.06843 0.04372 -0.00811 0.03307 -0.08666 85 2S 0.01613 0.00723 -0.00286 0.01302 -0.03159 86 11 H 1S 0.07059 0.04273 -0.00110 0.03080 -0.09334 87 2S 0.01291 0.00874 -0.00182 0.01474 -0.03178 88 12 C 1S -0.11129 0.06715 0.00644 0.03429 -0.09320 89 2S 0.21416 -0.13017 -0.01224 -0.06887 0.18935 90 2PX -0.00845 -0.01554 -0.00761 -0.00347 -0.01267 91 2PY 0.03641 0.06523 -0.00108 0.03481 -0.09508 92 2PZ 0.01726 0.04152 -0.00619 -0.00542 0.01996 93 3S 0.18755 -0.10785 -0.01216 -0.06564 0.17958 94 3PX -0.00518 -0.00525 -0.00450 0.00039 -0.00931 95 3PY 0.00547 0.01783 0.00000 0.00862 -0.03890 96 3PZ 0.00639 0.00271 -0.00014 -0.00276 0.01634 97 4XX -0.00074 -0.00076 0.00011 -0.00151 0.00477 98 4YY 0.00375 0.00741 -0.00015 0.00368 -0.01015 99 4ZZ -0.00473 -0.00513 0.00047 -0.00010 -0.00049 100 4XY 0.00066 0.00118 -0.00021 0.00017 0.00150 101 4XZ 0.00196 0.00236 0.00017 -0.00002 0.00247 102 4YZ -0.00142 -0.00344 -0.00009 0.00087 -0.00255 103 13 H 1S 0.07056 -0.04277 -0.00103 -0.03075 0.09335 104 2S 0.01290 -0.00873 -0.00180 -0.01473 0.03179 105 14 H 1S 0.06841 -0.04376 -0.00802 -0.03302 0.08669 106 2S 0.01612 -0.00724 -0.00283 -0.01300 0.03161 107 15 C 1S -0.00474 0.01213 -0.07232 -0.09549 -0.02249 108 2S 0.00925 -0.02336 0.14712 0.19694 0.04499 109 2PX -0.00303 -0.01221 0.08538 -0.03085 -0.01194 110 2PY 0.00303 0.01512 0.15614 -0.13069 -0.03064 111 2PZ 0.00727 -0.00041 -0.08045 -0.02006 0.00230 112 3S 0.00864 -0.02702 0.12841 0.18885 0.05483 113 3PX -0.00050 -0.00445 0.02248 0.00194 -0.00807 114 3PY -0.00015 -0.00039 0.02900 -0.02715 -0.00270 115 3PZ 0.00263 -0.00236 -0.01966 -0.01224 0.00726 116 4XX -0.00120 0.00037 -0.01418 -0.00291 -0.00136 117 4YY 0.00015 0.00102 0.00714 -0.00732 -0.00179 118 4ZZ 0.00048 0.00011 -0.00462 0.00003 0.00049 119 4XY 0.00019 0.00103 -0.00810 0.00478 0.00178 120 4XZ 0.00032 -0.00043 0.00621 -0.00762 -0.00190 121 4YZ 0.00006 -0.00039 0.00774 0.00423 0.00014 122 16 H 1S -0.00059 -0.01424 0.05351 0.11576 0.02285 123 2S -0.00152 -0.00616 0.01632 0.04777 0.01077 124 17 C 1S -0.00474 -0.01201 -0.07250 0.09533 0.02249 125 2S 0.00927 0.02311 0.14747 -0.19661 -0.04499 126 2PX -0.00303 0.01232 0.08522 0.03114 0.01201 127 2PY -0.00304 0.01520 -0.15574 -0.13088 -0.03057 128 2PZ 0.00727 0.00046 -0.08079 0.01968 -0.00238 129 3S 0.00867 0.02687 0.12879 -0.18860 -0.05483 130 3PX -0.00050 0.00447 0.02245 -0.00186 0.00809 131 3PY 0.00013 -0.00037 -0.02893 -0.02722 -0.00267 132 3PZ 0.00264 0.00237 -0.01971 0.01215 -0.00728 133 4XX -0.00120 -0.00036 -0.01420 0.00287 0.00136 134 4YY 0.00015 -0.00103 0.00715 0.00733 0.00180 135 4ZZ 0.00048 -0.00010 -0.00464 -0.00004 -0.00050 136 4XY -0.00019 0.00103 0.00807 0.00479 0.00178 137 4XZ 0.00033 0.00044 0.00622 0.00762 0.00190 138 4YZ -0.00006 -0.00039 -0.00770 0.00424 0.00014 139 18 H 1S -0.00058 0.01416 0.05369 -0.11558 -0.02282 140 2S -0.00151 0.00613 0.01640 -0.04769 -0.01075 141 19 O 1S 0.00234 -0.00715 0.07102 0.02556 0.00811 142 2S -0.00546 0.01657 -0.16565 -0.05899 -0.01850 143 2PX 0.01377 -0.01558 -0.07338 0.18527 0.05828 144 2PY -0.00428 0.00678 0.08875 -0.05628 -0.01756 145 2PZ -0.00318 0.00685 0.06677 -0.16882 -0.04084 146 3S -0.00821 0.02074 -0.22078 -0.08072 -0.03084 147 3PX 0.00676 -0.00719 -0.02858 0.08559 0.02717 148 3PY -0.00336 0.00378 0.04836 -0.02413 -0.00914 149 3PZ -0.00012 0.00256 0.02644 -0.07958 -0.01597 150 4XX 0.00056 -0.00102 -0.00023 0.00599 0.00168 151 4YY -0.00086 0.00046 0.01009 -0.00334 -0.00115 152 4ZZ 0.00012 -0.00029 0.00085 0.00283 0.00068 153 4XY 0.00114 -0.00053 -0.00147 0.00717 0.00216 154 4XZ 0.00033 0.00003 -0.00109 -0.00506 -0.00057 155 4YZ -0.00038 0.00036 0.00259 -0.00696 -0.00168 156 20 O 1S 0.00234 0.00716 0.07110 -0.02540 -0.00811 157 2S -0.00547 -0.01658 -0.16582 0.05862 0.01850 158 2PX 0.01378 0.01540 -0.07300 -0.18537 -0.05830 159 2PY 0.00429 0.00675 -0.08876 -0.05681 -0.01763 160 2PZ -0.00317 -0.00667 0.06622 0.16874 0.04080 161 3S -0.00823 -0.02077 -0.22105 0.08017 0.03083 162 3PX 0.00676 0.00710 -0.02843 -0.08562 -0.02718 163 3PY 0.00336 0.00376 -0.04834 -0.02438 -0.00915 164 3PZ -0.00012 -0.00247 0.02618 0.07953 0.01595 165 4XX 0.00056 0.00102 -0.00022 -0.00599 -0.00168 166 4YY -0.00086 -0.00045 0.01010 0.00338 0.00116 167 4ZZ 0.00012 0.00029 0.00085 -0.00284 -0.00068 168 4XY -0.00114 -0.00052 0.00146 0.00716 0.00216 169 4XZ 0.00032 -0.00003 -0.00110 0.00507 0.00057 170 4YZ 0.00038 0.00034 -0.00255 -0.00695 -0.00167 171 21 C 1S 0.00912 -0.00009 -0.12225 -0.00014 -0.00001 172 2S -0.01980 0.00019 0.25807 0.00030 0.00002 173 2PX 0.00441 -0.00002 -0.06485 -0.00013 -0.00003 174 2PY -0.00001 -0.01881 -0.00032 0.21591 0.06310 175 2PZ 0.00606 0.00000 0.06774 0.00030 0.00007 176 3S -0.01503 0.00015 0.24382 0.00029 0.00002 177 3PX 0.00668 -0.00001 -0.02134 -0.00004 -0.00001 178 3PY 0.00000 -0.00189 -0.00010 0.05678 0.01520 179 3PZ -0.00182 0.00001 0.02826 0.00009 0.00002 180 4XX 0.00069 0.00000 0.00235 0.00000 0.00000 181 4YY -0.00042 0.00000 -0.01362 0.00001 0.00001 182 4ZZ 0.00029 0.00000 0.00147 -0.00002 -0.00001 183 4XY 0.00000 -0.00129 -0.00002 0.01288 0.00324 184 4XZ 0.00007 0.00000 0.00553 0.00002 0.00001 185 4YZ 0.00000 0.00186 0.00000 -0.01405 -0.00447 186 22 H 1S -0.00771 0.00007 0.11585 0.00015 0.00001 187 2S 0.00021 0.00002 0.03819 0.00005 0.00001 188 23 H 1S -0.00191 0.00006 0.11587 0.00014 0.00001 189 2S 0.00653 0.00001 0.03556 0.00005 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 1 1 C 1S -0.10219 -0.01243 0.00596 0.00758 -0.06160 2 2S 0.20671 0.02606 -0.01136 -0.01798 0.12767 3 2PX -0.00356 0.00924 -0.04257 0.01422 -0.07378 4 2PY -0.07520 0.01892 -0.04305 0.19961 -0.11932 5 2PZ -0.00529 0.00865 -0.02152 0.01138 0.01959 6 3S 0.19334 0.02640 -0.01504 -0.01838 0.14634 7 3PX -0.00839 0.00954 -0.01709 -0.00488 -0.03064 8 3PY -0.03145 0.00910 -0.02106 0.08100 -0.04708 9 3PZ -0.00421 0.00264 -0.00590 0.01026 0.00075 10 4XX -0.00818 -0.00096 0.00300 0.00020 -0.00863 11 4YY 0.00403 0.00063 0.00064 -0.00238 0.01114 12 4ZZ -0.00854 -0.00206 0.00006 -0.00181 -0.00991 13 4XY 0.00040 0.00000 -0.00187 0.00216 -0.00005 14 4XZ 0.00002 -0.00128 -0.00078 0.00153 0.00499 15 4YZ 0.00152 -0.00002 -0.00103 -0.00081 0.00212 16 2 H 1S 0.11677 -0.00019 0.02005 -0.11153 0.13181 17 2S 0.05091 -0.00379 0.01347 -0.06814 0.08346 18 3 C 1S 0.05702 0.00372 -0.00461 0.00523 0.06954 19 2S -0.11524 -0.00608 0.00989 -0.00984 -0.14349 20 2PX -0.08930 -0.01931 0.02769 -0.11650 -0.06290 21 2PY -0.13470 -0.00268 -0.00741 0.12235 0.08200 22 2PZ 0.08840 0.03280 -0.05980 0.14418 0.07094 23 3S -0.10504 -0.01672 0.01742 -0.01922 -0.15377 24 3PX -0.02722 -0.00293 0.00622 -0.03704 -0.02735 25 3PY -0.02908 0.00142 -0.00402 0.03497 0.03354 26 3PZ 0.02889 0.00952 -0.01939 0.04672 0.03181 27 4XX 0.00702 0.00040 0.00076 0.00090 0.00319 28 4YY -0.00384 -0.00038 0.00100 -0.00205 0.00906 29 4ZZ 0.00294 0.00007 -0.00049 -0.00341 -0.00281 30 4XY 0.00456 0.00015 -0.00021 -0.00210 0.00785 31 4XZ -0.00045 -0.00054 0.00003 0.00131 0.00556 32 4YZ -0.00466 -0.00026 0.00027 0.00046 -0.00925 33 4 H 1S -0.06456 -0.01844 0.03460 -0.12049 -0.13842 34 2S -0.02740 -0.01177 0.02241 -0.08522 -0.08664 35 5 C 1S 0.05698 0.00368 -0.00453 0.00526 -0.06954 36 2S -0.11515 -0.00599 0.00972 -0.00990 0.14349 37 2PX -0.08945 -0.01931 0.02765 -0.11638 0.06285 38 2PY 0.13452 0.00266 0.00743 -0.12271 0.08222 39 2PZ 0.08859 0.03279 -0.05972 0.14395 -0.07080 40 3S -0.10506 -0.01671 0.01733 -0.01931 0.15382 41 3PX -0.02721 -0.00289 0.00616 -0.03700 0.02731 42 3PY 0.02906 -0.00141 0.00397 -0.03507 0.03363 43 3PZ 0.02888 0.00947 -0.01933 0.04666 -0.03172 44 4XX 0.00703 0.00040 0.00076 0.00090 -0.00321 45 4YY -0.00387 -0.00038 0.00101 -0.00204 -0.00902 46 4ZZ 0.00295 0.00007 -0.00049 -0.00342 0.00279 47 4XY -0.00455 -0.00014 0.00020 0.00210 0.00786 48 4XZ -0.00047 -0.00055 0.00003 0.00132 -0.00554 49 4YZ 0.00465 0.00026 -0.00026 -0.00046 -0.00927 50 6 H 1S -0.06451 -0.01839 0.03446 -0.12051 0.13843 51 2S -0.02740 -0.01176 0.02235 -0.08523 0.08666 52 7 C 1S -0.10222 -0.01243 0.00589 0.00757 0.06160 53 2S 0.20676 0.02605 -0.01121 -0.01797 -0.12765 54 2PX -0.00353 0.00933 -0.04277 0.01438 0.07396 55 2PY 0.07523 -0.01899 0.04310 -0.19956 -0.11914 56 2PZ -0.00519 0.00863 -0.02140 0.01104 -0.01974 57 3S 0.19347 0.02645 -0.01500 -0.01835 -0.14639 58 3PX -0.00838 0.00960 -0.01715 -0.00482 0.03071 59 3PY 0.03141 -0.00915 0.02113 -0.08104 -0.04699 60 3PZ -0.00416 0.00262 -0.00585 0.01011 -0.00080 61 4XX -0.00818 -0.00096 0.00299 0.00021 0.00863 62 4YY 0.00404 0.00063 0.00065 -0.00239 -0.01114 63 4ZZ -0.00855 -0.00206 0.00006 -0.00181 0.00992 64 4XY -0.00041 0.00000 0.00187 -0.00217 -0.00004 65 4XZ 0.00002 -0.00128 -0.00077 0.00152 -0.00499 66 4YZ -0.00149 0.00002 0.00103 0.00080 0.00206 67 8 H 1S 0.11680 -0.00023 0.02014 -0.11149 -0.13175 68 2S 0.05093 -0.00381 0.01351 -0.06809 -0.08342 69 9 C 1S 0.04255 0.00808 0.00684 0.00558 -0.04543 70 2S -0.08568 -0.01802 -0.01499 -0.01015 0.09132 71 2PX 0.02389 0.00212 -0.09664 0.03191 -0.00756 72 2PY 0.07748 0.00188 0.02332 -0.08411 0.03411 73 2PZ -0.10173 -0.03756 0.00527 -0.10176 0.10457 74 3S -0.08421 -0.01122 -0.01996 -0.02786 0.12225 75 3PX 0.00899 -0.00468 -0.04047 0.01510 -0.00719 76 3PY 0.02423 0.00043 0.00271 -0.03832 0.00861 77 3PZ -0.03479 -0.01450 -0.00663 -0.04016 0.04434 78 4XX -0.00235 -0.00083 0.00328 -0.00497 0.00642 79 4YY -0.00227 -0.00097 -0.00077 -0.00096 -0.00756 80 4ZZ 0.00760 0.00105 -0.00188 0.00214 -0.00293 81 4XY 0.00165 0.00026 -0.00068 -0.00075 -0.00125 82 4XZ -0.00377 -0.00097 -0.00063 -0.00322 0.00273 83 4YZ -0.00496 -0.00011 -0.00096 0.00327 0.00987 84 10 H 1S -0.04642 -0.01878 -0.03244 -0.04628 0.08458 85 2S -0.02137 -0.00973 -0.01514 -0.03113 0.05218 86 11 H 1S -0.04250 -0.01140 0.05532 -0.04768 0.06773 87 2S -0.01763 -0.01371 0.05145 -0.02207 0.03710 88 12 C 1S 0.04249 0.00808 0.00679 0.00556 0.04545 89 2S -0.08557 -0.01802 -0.01488 -0.01011 -0.09135 90 2PX 0.02399 0.00212 -0.09662 0.03187 0.00788 91 2PY -0.07736 -0.00182 -0.02342 0.08428 0.03417 92 2PZ -0.10183 -0.03755 0.00530 -0.10161 -0.10447 93 3S -0.08404 -0.01119 -0.01987 -0.02785 -0.12232 94 3PX 0.00903 -0.00468 -0.04044 0.01505 0.00733 95 3PY -0.02416 -0.00041 -0.00272 0.03839 0.00866 96 3PZ -0.03483 -0.01451 -0.00658 -0.04009 -0.04433 97 4XX -0.00234 -0.00082 0.00329 -0.00497 -0.00641 98 4YY -0.00229 -0.00097 -0.00078 -0.00095 0.00753 99 4ZZ 0.00761 0.00105 -0.00189 0.00213 0.00295 100 4XY -0.00165 -0.00026 0.00069 0.00075 -0.00127 101 4XZ -0.00379 -0.00097 -0.00062 -0.00323 -0.00274 102 4YZ 0.00493 0.00010 0.00095 -0.00328 0.00988 103 13 H 1S -0.04243 -0.01137 0.05540 -0.04760 -0.06780 104 2S -0.01760 -0.01371 0.05152 -0.02203 -0.03710 105 14 H 1S -0.04639 -0.01879 -0.03232 -0.04631 -0.08449 106 2S -0.02135 -0.00974 -0.01508 -0.03114 -0.05210 107 15 C 1S 0.00932 0.01086 -0.00407 -0.00035 -0.00590 108 2S -0.02070 -0.02179 0.00864 0.00106 0.01081 109 2PX 0.02348 -0.04645 0.05107 0.03430 0.05263 110 2PY -0.04763 0.19520 -0.06027 -0.03875 -0.01146 111 2PZ 0.00363 0.15399 0.06736 0.01074 -0.03799 112 3S -0.00954 -0.04429 0.01524 0.00641 0.01818 113 3PX 0.00745 -0.00764 0.02767 0.01435 0.01824 114 3PY -0.01396 0.06103 -0.01987 -0.01143 -0.00885 115 3PZ 0.00435 0.05095 0.03228 0.00443 -0.00582 116 4XX 0.00152 0.00174 -0.00692 -0.00151 -0.00274 117 4YY -0.00087 -0.00135 -0.00001 -0.00013 0.00110 118 4ZZ 0.00115 -0.00279 0.00728 0.00239 0.00126 119 4XY 0.00092 -0.00668 0.00442 0.00440 -0.00559 120 4XZ 0.00109 -0.00280 -0.00204 0.00094 0.00324 121 4YZ -0.00074 0.00165 -0.00111 -0.00030 0.00424 122 16 H 1S 0.00755 -0.12877 0.00471 0.00980 0.03709 123 2S 0.00584 -0.07793 0.00775 0.00250 0.02730 124 17 C 1S 0.00942 0.01090 -0.00409 -0.00037 0.00588 125 2S -0.02093 -0.02187 0.00865 0.00110 -0.01076 126 2PX 0.02362 -0.04628 0.05098 0.03419 -0.05261 127 2PY 0.04745 -0.19549 0.06009 0.03869 -0.01153 128 2PZ 0.00378 0.15355 0.06757 0.01092 0.03781 129 3S -0.00975 -0.04440 0.01537 0.00644 -0.01816 130 3PX 0.00748 -0.00761 0.02765 0.01430 -0.01824 131 3PY 0.01393 -0.06109 0.01977 0.01139 -0.00886 132 3PZ 0.00439 0.05083 0.03239 0.00448 0.00575 133 4XX 0.00153 0.00174 -0.00691 -0.00150 0.00273 134 4YY -0.00086 -0.00131 -0.00001 -0.00014 -0.00111 135 4ZZ 0.00115 -0.00282 0.00727 0.00239 -0.00124 136 4XY -0.00091 0.00671 -0.00442 -0.00441 -0.00558 137 4XZ 0.00111 -0.00279 -0.00206 0.00092 -0.00327 138 4YZ 0.00074 -0.00165 0.00110 0.00030 0.00424 139 18 H 1S 0.00738 -0.12875 0.00459 0.00971 -0.03696 140 2S 0.00576 -0.07793 0.00769 0.00246 -0.02720 141 19 O 1S -0.00786 0.02953 -0.00278 -0.01110 0.00412 142 2S 0.01891 -0.06742 0.00643 0.02494 -0.00875 143 2PX -0.00448 0.05357 0.16045 0.03330 -0.06324 144 2PY -0.02742 0.19860 -0.08025 -0.06943 0.01133 145 2PZ 0.00835 0.05748 0.12572 0.03152 0.05863 146 3S 0.02407 -0.09922 0.00702 0.04170 -0.02129 147 3PX -0.00452 0.03586 0.08928 0.01743 -0.03349 148 3PY -0.01589 0.11638 -0.04817 -0.04079 0.00380 149 3PZ 0.00525 0.02728 0.07610 0.01900 0.02982 150 4XX 0.00144 -0.00629 0.00441 0.00253 0.00039 151 4YY -0.00199 0.01677 -0.00728 -0.00597 0.00108 152 4ZZ 0.00066 -0.00842 0.00326 0.00175 0.00075 153 4XY -0.00204 0.01179 0.00815 0.00046 -0.00280 154 4XZ -0.00007 0.00512 0.00055 -0.00080 -0.00002 155 4YZ 0.00148 -0.00141 0.01118 0.00381 0.00236 156 20 O 1S -0.00788 0.02952 -0.00278 -0.01110 -0.00416 157 2S 0.01896 -0.06740 0.00643 0.02495 0.00883 158 2PX -0.00477 0.05341 0.16041 0.03341 0.06338 159 2PY 0.02731 -0.19861 0.08001 0.06934 0.01160 160 2PZ 0.00870 0.05723 0.12581 0.03151 -0.05838 161 3S 0.02414 -0.09920 0.00698 0.04172 0.02147 162 3PX -0.00466 0.03578 0.08923 0.01748 0.03358 163 3PY 0.01584 -0.11637 0.04803 0.04073 0.00394 164 3PZ 0.00542 0.02712 0.07615 0.01900 -0.02968 165 4XX 0.00143 -0.00629 0.00441 0.00253 -0.00040 166 4YY -0.00198 0.01675 -0.00724 -0.00595 -0.00111 167 4ZZ 0.00065 -0.00841 0.00323 0.00173 -0.00073 168 4XY 0.00205 -0.01180 -0.00815 -0.00047 -0.00281 169 4XZ -0.00006 0.00510 0.00054 -0.00080 0.00001 170 4YZ -0.00150 0.00146 -0.01120 -0.00382 0.00234 171 21 C 1S -0.00096 0.01077 -0.00553 0.00027 0.00001 172 2S 0.00285 -0.02344 0.00836 -0.00202 -0.00002 173 2PX -0.01561 0.22011 0.14683 0.00042 0.00021 174 2PY 0.00017 0.00018 -0.00028 -0.00016 -0.07079 175 2PZ 0.00731 -0.07968 0.30145 0.09947 0.00018 176 3S 0.00473 -0.04138 0.02723 0.00853 -0.00001 177 3PX -0.00844 0.08450 0.07297 0.00354 0.00008 178 3PY 0.00005 0.00006 -0.00012 -0.00007 -0.02804 179 3PZ 0.00408 -0.01923 0.11946 0.04301 0.00008 180 4XX -0.00055 0.00015 -0.00212 -0.00084 -0.00001 181 4YY 0.00114 0.00245 -0.00482 -0.00048 0.00000 182 4ZZ -0.00099 0.00008 0.00615 0.00098 0.00001 183 4XY 0.00001 0.00001 -0.00001 -0.00001 -0.00227 184 4XZ 0.00164 -0.01454 0.00685 0.00449 0.00000 185 4YZ -0.00001 0.00000 -0.00002 0.00000 0.00290 186 22 H 1S 0.00689 -0.10831 -0.09039 -0.00871 -0.00014 187 2S 0.00243 -0.06407 -0.05006 -0.00281 -0.00010 188 23 H 1S 0.00036 -0.03001 0.17195 0.04819 0.00014 189 2S -0.00426 -0.02517 0.10560 0.02521 0.00009 26 27 28 29 30 O O O O O Eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 1 1 C 1S -0.02375 0.00076 0.00389 -0.00058 -0.02738 2 2S 0.04997 0.00063 -0.00763 0.00097 0.06305 3 2PX 0.01254 0.10544 0.03937 -0.12518 0.10074 4 2PY -0.02925 -0.01594 0.00080 -0.03562 0.25438 5 2PZ 0.02251 -0.00112 -0.04120 0.23686 0.03150 6 3S 0.05780 -0.01212 -0.01674 0.01210 0.09505 7 3PX 0.00334 0.04405 0.01131 -0.03651 0.04759 8 3PY -0.00945 -0.01964 -0.00852 -0.00723 0.07516 9 3PZ 0.02117 0.00490 -0.01298 0.08432 0.01016 10 4XX -0.00268 0.00006 -0.00022 -0.00440 0.00056 11 4YY 0.00332 -0.00146 -0.00080 0.00260 -0.01168 12 4ZZ -0.00431 0.00115 0.00157 0.00350 0.00278 13 4XY 0.00060 0.00365 0.00091 -0.00122 0.00320 14 4XZ -0.00066 0.00388 0.00244 0.00453 0.00024 15 4YZ 0.00095 0.00052 -0.00121 0.00457 -0.00082 16 2 H 1S 0.03819 0.00171 -0.00450 0.02010 -0.13988 17 2S 0.02415 -0.00296 -0.00591 0.01921 -0.14218 18 3 C 1S 0.01119 -0.00131 0.00259 0.00503 -0.00674 19 2S -0.02092 0.00239 -0.00791 -0.01051 0.01764 20 2PX -0.01408 0.00944 -0.03104 0.15433 -0.12077 21 2PY 0.01077 -0.05738 -0.03605 0.19653 0.01482 22 2PZ 0.03558 0.05785 0.01680 -0.07682 0.16405 23 3S -0.03568 0.00549 0.00328 -0.01427 0.02549 24 3PX 0.00025 0.00840 -0.01598 0.06150 -0.01622 25 3PY -0.00473 -0.01738 -0.01234 0.07225 0.03694 26 3PZ 0.01241 0.02809 0.00606 -0.02506 0.03671 27 4XX -0.00011 -0.00217 0.00088 -0.00437 0.00155 28 4YY 0.00215 -0.00039 -0.00116 0.00309 -0.00774 29 4ZZ 0.00008 0.00265 -0.00010 0.00260 0.00083 30 4XY 0.00199 0.00171 0.00027 -0.00084 0.00671 31 4XZ 0.00022 -0.00064 0.00069 0.00131 -0.00155 32 4YZ -0.00367 -0.00010 -0.00048 0.00075 -0.01098 33 4 H 1S -0.03403 -0.00309 -0.00884 0.01624 -0.11245 34 2S -0.02853 -0.00126 -0.00543 0.01606 -0.10973 35 5 C 1S -0.01122 -0.00112 0.00258 0.00506 0.00674 36 2S 0.02101 0.00204 -0.00790 -0.01057 -0.01764 37 2PX 0.01426 0.00916 -0.03106 0.15430 0.12119 38 2PY 0.01121 0.05712 0.03599 -0.19631 0.01501 39 2PZ -0.03497 0.05836 0.01666 -0.07675 -0.16407 40 3S 0.03570 0.00492 0.00339 -0.01441 -0.02555 41 3PX -0.00009 0.00835 -0.01604 0.06155 0.01636 42 3PY -0.00462 0.01739 0.01223 -0.07220 0.03690 43 3PZ -0.01212 0.02827 0.00601 -0.02510 -0.03665 44 4XX 0.00008 -0.00217 0.00089 -0.00438 -0.00158 45 4YY -0.00214 -0.00036 -0.00117 0.00309 0.00778 46 4ZZ -0.00007 0.00265 -0.00011 0.00260 -0.00084 47 4XY 0.00197 -0.00175 -0.00026 0.00081 0.00670 48 4XZ -0.00022 -0.00064 0.00069 0.00131 0.00157 49 4YZ -0.00368 0.00014 0.00046 -0.00072 -0.01096 50 6 H 1S 0.03399 -0.00358 -0.00874 0.01593 0.11255 51 2S 0.02850 -0.00165 -0.00532 0.01578 0.10985 52 7 C 1S 0.02373 0.00046 0.00402 -0.00061 0.02735 53 2S -0.04991 0.00126 -0.00788 0.00103 -0.06299 54 2PX -0.01164 0.10551 0.03923 -0.12505 -0.10125 55 2PY -0.02915 0.01672 -0.00077 0.03486 0.25429 56 2PZ -0.02246 -0.00094 -0.04142 0.23682 -0.03062 57 3S -0.05785 -0.01138 -0.01706 0.01224 -0.09496 58 3PX -0.00293 0.04406 0.01128 -0.03644 -0.04775 59 3PY -0.00927 0.01989 0.00855 0.00698 0.07514 60 3PZ -0.02113 0.00513 -0.01315 0.08431 -0.00993 61 4XX 0.00268 0.00003 -0.00021 -0.00441 -0.00057 62 4YY -0.00333 -0.00141 -0.00082 0.00260 0.01170 63 4ZZ 0.00431 0.00107 0.00160 0.00349 -0.00279 64 4XY 0.00057 -0.00366 -0.00091 0.00119 0.00320 65 4XZ 0.00069 0.00388 0.00245 0.00456 -0.00024 66 4YZ 0.00092 -0.00053 0.00122 -0.00456 -0.00080 67 8 H 1S -0.03819 0.00241 -0.00465 0.01999 0.13987 68 2S -0.02419 -0.00247 -0.00599 0.01909 0.14214 69 9 C 1S -0.01408 0.00527 0.00039 0.00002 0.00884 70 2S 0.03005 -0.01164 -0.00040 0.00170 -0.01669 71 2PX -0.01703 0.22962 0.07270 0.12348 -0.12746 72 2PY 0.01120 0.01023 -0.01419 0.14031 0.01412 73 2PZ 0.04288 0.10525 0.07150 -0.15611 0.07820 74 3S 0.04056 -0.01739 -0.00825 0.00245 -0.05372 75 3PX 0.00269 0.10347 0.03535 0.05633 -0.06031 76 3PY 0.00918 -0.00086 -0.01004 0.06583 0.03110 77 3PZ 0.02068 0.04017 0.02591 -0.07061 0.02675 78 4XX 0.00244 -0.00088 0.00018 -0.00463 0.00344 79 4YY -0.00213 -0.00100 0.00008 -0.00205 0.00505 80 4ZZ -0.00059 0.00331 0.00082 0.00507 -0.00687 81 4XY -0.00148 0.00303 0.00087 0.00124 -0.00780 82 4XZ 0.00136 0.00828 0.00354 0.00201 0.00164 83 4YZ 0.00352 0.00009 0.00058 -0.00273 0.00143 84 10 H 1S 0.02627 0.12761 0.05400 0.01227 -0.02421 85 2S 0.01241 0.10021 0.04359 0.00927 -0.01508 86 11 H 1S 0.03129 -0.09976 -0.02805 -0.06374 0.08252 87 2S 0.02265 -0.06382 -0.00939 -0.04924 0.07449 88 12 C 1S 0.01413 0.00505 0.00046 0.00003 -0.00886 89 2S -0.03016 -0.01118 -0.00057 0.00168 0.01675 90 2PX 0.01892 0.22936 0.07275 0.12349 0.12741 91 2PY 0.01120 -0.01045 0.01418 -0.14002 0.01439 92 2PZ -0.04215 0.10590 0.07129 -0.15631 -0.07862 93 3S -0.04067 -0.01674 -0.00849 0.00238 0.05387 94 3PX -0.00185 0.10348 0.03531 0.05634 0.06029 95 3PY 0.00922 0.00075 0.01010 -0.06573 0.03119 96 3PZ -0.02041 0.04049 0.02579 -0.07072 -0.02689 97 4XX -0.00244 -0.00087 0.00016 -0.00463 -0.00345 98 4YY 0.00211 -0.00104 0.00009 -0.00205 -0.00505 99 4ZZ 0.00063 0.00332 0.00083 0.00507 0.00687 100 4XY -0.00151 -0.00302 -0.00088 -0.00124 -0.00779 101 4XZ -0.00131 0.00828 0.00353 0.00199 -0.00169 102 4YZ 0.00352 -0.00015 -0.00056 0.00272 0.00141 103 13 H 1S -0.03210 -0.09937 -0.02825 -0.06363 -0.08255 104 2S -0.02320 -0.06355 -0.00949 -0.04913 -0.07455 105 14 H 1S -0.02532 0.12795 0.05384 0.01212 0.02390 106 2S -0.01168 0.10038 0.04352 0.00916 0.01479 107 15 C 1S 0.04328 -0.00873 0.00374 -0.00429 -0.00570 108 2S -0.08656 0.02345 -0.01102 0.00802 0.00803 109 2PX -0.13466 -0.09360 0.13078 0.02795 -0.01151 110 2PY 0.07204 -0.02245 0.00137 0.01154 -0.00298 111 2PZ 0.20165 0.02924 -0.16307 -0.02579 -0.02567 112 3S -0.13900 0.00936 -0.01309 0.01672 0.04796 113 3PX -0.03600 -0.03395 0.04714 0.00533 -0.00379 114 3PY 0.00515 -0.00616 0.00336 -0.00035 0.01910 115 3PZ 0.05327 0.00364 -0.06029 -0.00698 -0.01618 116 4XX 0.01110 -0.00035 -0.00654 -0.00394 0.00161 117 4YY -0.00180 -0.00044 0.00229 0.00138 -0.00151 118 4ZZ -0.00425 -0.00119 0.00648 0.00175 -0.00183 119 4XY 0.01351 0.00062 -0.00446 -0.00022 0.00120 120 4XZ -0.00596 -0.00533 0.00271 0.00138 0.00024 121 4YZ -0.02189 -0.00195 0.00443 0.00010 0.00321 122 16 H 1S -0.19015 -0.00892 0.08882 0.01434 0.01403 123 2S -0.14854 -0.01028 0.07220 0.00763 0.00347 124 17 C 1S -0.04340 -0.00823 0.00341 -0.00434 0.00573 125 2S 0.08690 0.02242 -0.01035 0.00811 -0.00810 126 2PX 0.13240 -0.09511 0.13170 0.02801 0.01130 127 2PY 0.07279 0.02159 -0.00052 -0.01143 -0.00230 128 2PZ -0.20010 0.03145 -0.16469 -0.02599 0.02532 129 3S 0.13920 0.00776 -0.01200 0.01694 -0.04809 130 3PX 0.03522 -0.03435 0.04741 0.00533 0.00367 131 3PY 0.00539 0.00615 -0.00324 0.00031 0.01927 132 3PZ -0.05285 0.00423 -0.06073 -0.00700 0.01609 133 4XX -0.01108 -0.00021 -0.00664 -0.00396 -0.00159 134 4YY 0.00184 -0.00046 0.00231 0.00138 0.00147 135 4ZZ 0.00415 -0.00124 0.00651 0.00176 0.00187 136 4XY 0.01343 -0.00076 0.00455 0.00022 0.00123 137 4XZ 0.00593 -0.00540 0.00278 0.00139 -0.00026 138 4YZ -0.02182 0.00219 -0.00461 -0.00012 0.00319 139 18 H 1S 0.18939 -0.01099 0.09028 0.01451 -0.01367 140 2S 0.14788 -0.01191 0.07337 0.00779 -0.00314 141 19 O 1S -0.01663 0.01275 -0.02341 -0.00421 -0.00040 142 2S 0.03618 -0.02848 0.05177 0.00898 0.00272 143 2PX 0.20333 0.12752 -0.15309 -0.02083 -0.04585 144 2PY -0.02965 0.00100 0.02207 -0.01400 0.02147 145 2PZ -0.12271 -0.05180 0.18922 0.04663 -0.05303 146 3S 0.08666 -0.04993 0.10509 0.01788 -0.00152 147 3PX 0.10976 0.07105 -0.08024 -0.01158 -0.03274 148 3PY -0.00781 0.00904 0.00831 -0.00967 0.01305 149 3PZ -0.05932 -0.02936 0.10547 0.03035 -0.03693 150 4XX 0.00012 0.00066 -0.00830 -0.00066 -0.00101 151 4YY -0.00227 0.00030 0.00205 -0.00072 0.00159 152 4ZZ -0.00537 0.00304 -0.00040 -0.00006 0.00122 153 4XY 0.00864 0.00640 -0.00491 -0.00083 -0.00145 154 4XZ 0.00197 -0.00354 0.00344 0.00036 -0.00144 155 4YZ -0.00514 -0.00041 0.00947 0.00241 -0.00199 156 20 O 1S 0.01696 0.01254 -0.02325 -0.00417 0.00052 157 2S -0.03690 -0.02803 0.05143 0.00892 -0.00296 158 2PX -0.20063 0.12977 -0.15479 -0.02103 0.04587 159 2PY -0.02964 -0.00040 -0.02292 0.01377 0.02069 160 2PZ 0.12058 -0.05311 0.18995 0.04672 0.05289 161 3S -0.08807 -0.04885 0.10425 0.01770 0.00095 162 3PX -0.10831 0.07227 -0.08118 -0.01171 0.03276 163 3PY -0.00790 -0.00881 -0.00871 0.00954 0.01257 164 3PZ 0.05816 -0.03001 0.10581 0.03040 0.03683 165 4XX -0.00005 0.00066 -0.00831 -0.00066 0.00100 166 4YY 0.00227 0.00027 0.00212 -0.00070 -0.00153 167 4ZZ 0.00541 0.00298 -0.00038 -0.00005 -0.00121 168 4XY 0.00853 -0.00648 0.00497 0.00084 -0.00145 169 4XZ -0.00202 -0.00353 0.00343 0.00036 0.00144 170 4YZ -0.00507 0.00046 -0.00950 -0.00241 -0.00199 171 21 C 1S -0.00021 -0.01983 0.02043 -0.00013 -0.00005 172 2S 0.00044 0.04352 -0.04013 0.00101 0.00013 173 2PX -0.00108 0.00892 0.29898 0.03912 0.00032 174 2PY 0.19147 -0.00130 0.00093 0.00011 -0.00995 175 2PZ 0.00176 0.19832 -0.06935 0.01121 -0.00009 176 3S 0.00055 0.05137 -0.05413 0.00647 0.00014 177 3PX -0.00044 -0.00565 0.10989 0.00773 0.00014 178 3PY 0.08923 -0.00060 0.00040 0.00003 0.00178 179 3PZ 0.00071 0.08657 -0.01962 0.01499 -0.00004 180 4XX 0.00010 0.00313 -0.02269 -0.00375 -0.00001 181 4YY -0.00020 -0.01635 0.02992 0.00468 -0.00001 182 4ZZ 0.00010 0.01230 -0.00794 -0.00148 0.00002 183 4XY 0.00391 -0.00002 0.00001 0.00000 0.00211 184 4XZ 0.00004 0.00182 -0.00457 0.00025 -0.00001 185 4YZ -0.00850 0.00002 0.00000 0.00000 0.00433 186 22 H 1S 0.00072 0.00142 -0.19582 -0.02667 -0.00013 187 2S 0.00048 -0.00861 -0.14788 -0.02502 -0.00013 188 23 H 1S 0.00100 0.12923 -0.03840 0.00244 0.00005 189 2S 0.00066 0.07776 -0.03204 -0.01649 0.00003 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38414 -0.37327 -0.35526 -0.34881 1 1 C 1S -0.00335 -0.00253 -0.00621 0.00443 -0.00776 2 2S 0.00573 0.00649 0.01851 -0.01277 0.01949 3 2PX 0.00229 -0.01316 -0.05232 0.01293 0.09589 4 2PY -0.01316 0.05022 0.13675 -0.05868 0.02120 5 2PZ 0.01540 0.03910 -0.03070 0.01243 0.06721 6 3S 0.01600 0.01071 -0.01232 0.01655 0.01467 7 3PX 0.00148 0.01043 -0.05377 0.02935 0.05670 8 3PY -0.00482 0.00964 0.01680 -0.00958 0.00985 9 3PZ 0.00693 -0.01472 -0.01452 0.00016 0.04220 10 4XX -0.00094 0.00036 0.00515 -0.00166 0.00137 11 4YY 0.00198 -0.00348 -0.00663 0.00266 -0.00410 12 4ZZ -0.00151 0.00078 0.00025 0.00011 -0.00217 13 4XY 0.00434 -0.00588 -0.00127 0.00024 0.00136 14 4XZ -0.00133 -0.00139 -0.00402 0.00236 -0.00623 15 4YZ -0.00222 0.01021 -0.00124 0.00048 0.00249 16 2 H 1S 0.01401 -0.03201 -0.07864 0.03236 -0.02004 17 2S 0.01029 -0.03582 -0.08718 0.02910 -0.02216 18 3 C 1S -0.00998 0.01764 -0.01085 0.00564 -0.00509 19 2S 0.02441 -0.04018 0.02199 -0.00838 0.01104 20 2PX -0.02164 0.07904 -0.05001 0.02577 0.06484 21 2PY 0.11426 -0.19118 0.00063 0.00067 -0.08217 22 2PZ 0.06193 -0.09365 0.01760 -0.01640 0.08531 23 3S 0.01827 -0.06650 0.07775 -0.05449 0.01043 24 3PX -0.00344 0.03128 -0.03148 0.02522 0.04003 25 3PY 0.03852 -0.05037 0.01262 -0.00296 -0.03214 26 3PZ 0.02355 -0.02983 0.01982 -0.01912 0.04531 27 4XX -0.00311 0.00315 0.00320 -0.00085 -0.00326 28 4YY 0.00326 -0.00571 -0.00484 0.00223 -0.00106 29 4ZZ -0.00360 0.00916 -0.00062 0.00078 0.00378 30 4XY 0.00092 -0.00115 0.00198 -0.00124 0.00182 31 4XZ 0.00265 -0.00609 -0.00204 0.00114 -0.00289 32 4YZ -0.00074 0.00278 0.00017 0.00078 0.00156 33 4 H 1S -0.06096 0.11479 -0.01203 0.01064 0.01684 34 2S -0.05764 0.11970 -0.00976 0.00873 0.01669 35 5 C 1S -0.00999 0.01763 0.01081 -0.00560 -0.00513 36 2S 0.02443 -0.04015 -0.02192 0.00830 0.01110 37 2PX -0.02182 0.07868 0.05005 -0.02606 0.06463 38 2PY -0.11440 0.19138 0.00076 0.00024 0.08211 39 2PZ 0.06223 -0.09305 -0.01732 0.01592 0.08561 40 3S 0.01840 -0.06649 -0.07763 0.05443 0.01072 41 3PX -0.00346 0.03122 0.03151 -0.02542 0.03989 42 3PY -0.03873 0.05040 0.01273 -0.00315 0.03212 43 3PZ 0.02366 -0.02967 -0.01967 0.01886 0.04551 44 4XX -0.00311 0.00315 -0.00322 0.00087 -0.00326 45 4YY 0.00325 -0.00571 0.00485 -0.00224 -0.00107 46 4ZZ -0.00359 0.00915 0.00062 -0.00080 0.00377 47 4XY -0.00095 0.00115 0.00196 -0.00122 -0.00182 48 4XZ 0.00264 -0.00609 0.00205 -0.00113 -0.00291 49 4YZ 0.00079 -0.00279 0.00018 0.00079 -0.00156 50 6 H 1S -0.06128 0.11459 0.01197 -0.01069 0.01675 51 2S -0.05793 0.11950 0.00969 -0.00879 0.01661 52 7 C 1S -0.00342 -0.00259 0.00624 -0.00440 -0.00780 53 2S 0.00590 0.00661 -0.01856 0.01271 0.01959 54 2PX 0.00271 -0.01284 0.05244 -0.01335 0.09607 55 2PY 0.01262 -0.05057 0.13681 -0.05858 -0.02145 56 2PZ 0.01557 0.03911 0.03095 -0.01278 0.06742 57 3S 0.01612 0.01091 0.01217 -0.01660 0.01463 58 3PX 0.00169 0.01059 0.05388 -0.02964 0.05664 59 3PY 0.00478 -0.00969 0.01686 -0.00962 -0.00987 60 3PZ 0.00691 -0.01469 0.01459 -0.00033 0.04231 61 4XX -0.00094 0.00034 -0.00514 0.00164 0.00136 62 4YY 0.00195 -0.00345 0.00662 -0.00264 -0.00411 63 4ZZ -0.00150 0.00075 -0.00027 -0.00009 -0.00218 64 4XY -0.00436 0.00588 -0.00129 0.00026 -0.00134 65 4XZ -0.00133 -0.00136 0.00401 -0.00233 -0.00625 66 4YZ 0.00223 -0.01023 -0.00121 0.00048 -0.00250 67 8 H 1S 0.01372 -0.03215 0.07866 -0.03227 -0.02014 68 2S 0.00994 -0.03598 0.08720 -0.02894 -0.02226 69 9 C 1S 0.00304 -0.02069 0.00250 -0.00129 -0.00271 70 2S -0.00754 0.04517 0.00032 0.00384 0.00791 71 2PX -0.08102 0.04555 0.15594 -0.08120 -0.08083 72 2PY 0.07386 -0.21880 0.01067 -0.00272 0.04213 73 2PZ 0.00721 -0.16447 0.09244 -0.04248 -0.06578 74 3S -0.00358 0.08488 -0.04626 -0.00040 -0.00109 75 3PX -0.03261 0.01877 0.06140 -0.02232 -0.03265 76 3PY 0.03459 -0.09028 0.04187 -0.01349 0.01863 77 3PZ 0.01603 -0.08321 0.06038 -0.02678 -0.02508 78 4XX 0.00434 -0.01049 -0.00121 0.00086 0.00329 79 4YY -0.00171 0.00682 0.00235 -0.00078 -0.00059 80 4ZZ -0.00109 -0.00218 0.00011 -0.00013 -0.00285 81 4XY -0.00071 0.00054 0.01121 -0.00584 -0.00004 82 4XZ -0.00448 -0.00225 0.00668 -0.00430 -0.00979 83 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00003 84 10 H 1S -0.02000 -0.07957 0.11104 -0.05637 -0.05841 85 2S -0.02528 -0.07521 0.09573 -0.05349 -0.06199 86 11 H 1S 0.06075 -0.08571 -0.08460 0.04632 0.05432 87 2S 0.04157 -0.08625 -0.09754 0.06843 0.05686 88 12 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00274 89 2S -0.00755 0.04515 -0.00038 -0.00386 0.00795 90 2PX -0.08141 0.04494 -0.15613 0.08163 -0.08054 91 2PY -0.07394 0.21907 0.01024 -0.00241 -0.04208 92 2PZ 0.00718 -0.16410 -0.09247 0.04279 -0.06545 93 3S -0.00382 0.08484 0.04617 0.00041 -0.00094 94 3PX -0.03287 0.01853 -0.06147 0.02248 -0.03267 95 3PY -0.03473 0.09040 0.04173 -0.01339 -0.01871 96 3PZ 0.01613 -0.08308 -0.06034 0.02688 -0.02480 97 4XX 0.00435 -0.01048 0.00124 -0.00089 0.00330 98 4YY -0.00170 0.00682 -0.00237 0.00079 -0.00059 99 4ZZ -0.00111 -0.00221 -0.00012 0.00015 -0.00286 100 4XY 0.00075 -0.00051 0.01122 -0.00585 0.00004 101 4XZ -0.00446 -0.00228 -0.00668 0.00434 -0.00976 102 4YZ 0.00023 0.00024 0.00379 -0.00185 0.00001 103 13 H 1S 0.06100 -0.08531 0.08493 -0.04668 0.05425 104 2S 0.04171 -0.08589 0.09789 -0.06880 0.05654 105 14 H 1S -0.02010 -0.07989 -0.11102 0.05662 -0.05806 106 2S -0.02538 -0.07549 -0.09571 0.05376 -0.06169 107 15 C 1S 0.01686 0.00693 -0.01728 -0.03096 -0.00038 108 2S -0.03761 -0.01687 0.03515 0.07038 0.00375 109 2PX -0.11954 -0.02812 0.05562 -0.07392 -0.12412 110 2PY -0.23103 -0.11823 -0.00814 0.00324 0.18262 111 2PZ -0.09972 -0.03293 0.08243 0.04502 -0.12748 112 3S -0.05873 -0.02337 0.07139 0.10616 0.00188 113 3PX -0.05940 -0.01759 0.05557 0.00886 -0.08671 114 3PY -0.05959 -0.02879 0.01931 0.05213 0.05873 115 3PZ -0.04600 -0.00576 0.03759 -0.01227 -0.08095 116 4XX 0.01016 0.00358 -0.00614 0.00542 0.00042 117 4YY -0.00910 -0.00439 -0.00393 -0.01153 0.00542 118 4ZZ 0.00694 0.00474 0.00788 0.00277 -0.00899 119 4XY -0.00676 -0.00171 -0.00604 -0.00328 -0.00188 120 4XZ -0.00734 -0.00270 -0.00250 -0.00901 0.00646 121 4YZ 0.00405 0.00260 -0.00414 0.00351 -0.00617 122 16 H 1S 0.10330 0.05192 -0.00698 0.00530 -0.04084 123 2S 0.09584 0.05550 -0.01360 -0.00953 -0.05602 124 17 C 1S 0.01693 0.00694 0.01727 0.03094 -0.00017 125 2S -0.03776 -0.01691 -0.03512 -0.07034 0.00330 126 2PX -0.11957 -0.02819 -0.05562 0.07473 -0.12373 127 2PY 0.23124 0.11830 -0.00858 0.00387 -0.18234 128 2PZ -0.09942 -0.03286 -0.08246 -0.04445 -0.12789 129 3S -0.05900 -0.02342 -0.07134 -0.10616 0.00132 130 3PX -0.05942 -0.01765 -0.05559 -0.00833 -0.08675 131 3PY 0.05981 0.02882 0.01924 0.05227 -0.05853 132 3PZ -0.04599 -0.00576 -0.03757 0.01270 -0.08084 133 4XX 0.01016 0.00359 0.00610 -0.00544 0.00037 134 4YY -0.00909 -0.00439 0.00396 0.01150 0.00545 135 4ZZ 0.00694 0.00473 -0.00790 -0.00272 -0.00895 136 4XY 0.00673 0.00169 -0.00605 -0.00332 0.00188 137 4XZ -0.00730 -0.00268 0.00250 0.00899 0.00649 138 4YZ -0.00409 -0.00263 -0.00410 0.00352 0.00623 139 18 H 1S 0.10335 0.05196 0.00686 -0.00521 -0.04074 140 2S 0.09581 0.05554 0.01344 0.00969 -0.05579 141 19 O 1S 0.03756 0.01426 0.01753 0.03613 -0.01833 142 2S -0.07472 -0.02610 -0.03950 -0.07273 0.03578 143 2PX 0.04365 0.02405 0.17531 0.06762 -0.13874 144 2PY 0.20934 0.08352 0.09654 0.41192 -0.10509 145 2PZ -0.11664 -0.03154 0.20978 -0.03265 -0.09840 146 3S -0.17882 -0.07437 -0.06314 -0.13346 0.08421 147 3PX 0.02999 0.01458 0.12779 0.04969 -0.09605 148 3PY 0.12871 0.05043 0.06148 0.27497 -0.06856 149 3PZ -0.07687 -0.02147 0.13971 -0.02339 -0.06064 150 4XX -0.00403 -0.00040 0.00513 -0.00059 -0.01005 151 4YY 0.01544 0.00641 0.00345 0.02030 -0.00693 152 4ZZ 0.00532 0.00242 -0.00344 -0.00184 0.00747 153 4XY 0.00010 -0.00002 0.00860 0.00813 -0.00210 154 4XZ -0.00067 -0.00041 0.00243 -0.00198 -0.00135 155 4YZ -0.00248 0.00082 0.00772 -0.00312 -0.00644 156 20 O 1S 0.03748 0.01423 -0.01760 -0.03613 -0.01848 157 2S -0.07456 -0.02602 0.03964 0.07275 0.03609 158 2PX 0.04365 0.02382 -0.17532 -0.06738 -0.13841 159 2PY -0.20852 -0.08323 0.09729 0.41170 0.10699 160 2PZ -0.11716 -0.03200 -0.20943 0.03401 -0.09738 161 3S -0.17847 -0.07422 0.06347 0.13353 0.08474 162 3PX 0.02997 0.01441 -0.12780 -0.04953 -0.09584 163 3PY -0.12820 -0.05025 0.06196 0.27483 0.06985 164 3PZ -0.07721 -0.02177 -0.13945 0.02426 -0.05993 165 4XX -0.00403 -0.00041 -0.00513 0.00062 -0.01003 166 4YY 0.01540 0.00640 -0.00350 -0.02028 -0.00703 167 4ZZ 0.00533 0.00242 0.00346 0.00179 0.00748 168 4XY -0.00010 0.00004 0.00860 0.00813 0.00211 169 4XZ -0.00067 -0.00041 -0.00242 0.00200 -0.00134 170 4YZ 0.00250 -0.00080 0.00771 -0.00319 0.00636 171 21 C 1S -0.03130 -0.01592 0.00004 -0.00001 0.02086 172 2S 0.07641 0.03963 -0.00010 0.00002 -0.05254 173 2PX 0.15452 0.07157 -0.00020 -0.00015 0.06509 174 2PY -0.00016 -0.00007 -0.06905 -0.17977 -0.00052 175 2PZ -0.01799 0.00017 -0.00005 -0.00048 0.17946 176 3S 0.08257 0.04561 -0.00012 0.00006 -0.06789 177 3PX 0.06704 0.03034 -0.00009 -0.00003 0.00657 178 3PY -0.00002 -0.00002 -0.02100 -0.00551 -0.00005 179 3PZ -0.02674 0.00027 -0.00002 -0.00008 0.04819 180 4XX -0.00402 -0.00156 0.00001 0.00003 -0.01843 181 4YY -0.01126 -0.00388 0.00002 -0.00002 0.00293 182 4ZZ 0.01304 0.00460 -0.00002 -0.00001 0.01775 183 4XY -0.00001 -0.00001 -0.01650 -0.01812 -0.00003 184 4XZ -0.00786 -0.00305 -0.00001 -0.00002 0.00389 185 4YZ -0.00002 -0.00001 -0.00763 0.01714 0.00004 186 22 H 1S -0.05865 -0.02633 0.00008 0.00018 -0.10327 187 2S -0.06679 -0.02973 0.00009 0.00018 -0.09891 188 23 H 1S 0.05621 0.02390 -0.00005 -0.00026 0.12005 189 2S 0.05454 0.01111 -0.00003 -0.00031 0.15193 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 1 1 C 1S -0.01042 -0.00116 0.00074 0.01246 -0.01316 2 2S 0.02693 -0.00317 -0.00768 -0.02320 0.02820 3 2PX -0.08887 0.10030 -0.06169 0.12504 -0.25620 4 2PY 0.05331 -0.02300 -0.18180 -0.07747 0.08078 5 2PZ 0.10142 -0.23177 -0.05646 0.04057 -0.15968 6 3S 0.02191 0.05067 0.02047 -0.06272 0.04089 7 3PX -0.04284 0.04285 -0.02745 0.07272 -0.19388 8 3PY 0.01127 0.02989 -0.04893 -0.05947 0.02245 9 3PZ 0.03848 -0.09627 -0.02328 0.03576 -0.14665 10 4XX -0.00064 0.00142 -0.00776 0.01106 -0.00733 11 4YY -0.00224 0.00266 0.02072 0.00379 -0.00181 12 4ZZ 0.00156 -0.00578 -0.00930 -0.01077 0.00818 13 4XY -0.00277 0.00456 0.00176 0.00378 -0.00203 14 4XZ -0.00614 -0.00380 0.00470 0.00194 0.00289 15 4YZ 0.00325 -0.00689 0.00269 0.00449 -0.00139 16 2 H 1S -0.02679 0.02541 0.15226 0.03725 -0.02175 17 2S -0.04148 0.03551 0.16884 0.04314 -0.05180 18 3 C 1S -0.00475 -0.00272 -0.00197 -0.01118 0.00588 19 2S 0.00544 0.01587 0.00794 0.02342 -0.01956 20 2PX 0.04958 -0.14850 -0.00132 0.19364 -0.12108 21 2PY 0.00478 -0.01706 0.21059 0.00886 0.02898 22 2PZ -0.05550 0.12135 -0.02461 0.20507 -0.15207 23 3S 0.04963 -0.07021 -0.00330 0.05537 0.04911 24 3PX 0.00336 -0.02658 0.00304 0.12763 -0.12200 25 3PY 0.02043 -0.04065 0.07787 -0.00533 0.07363 26 3PZ -0.00518 0.00322 -0.02224 0.13568 -0.09207 27 4XX 0.00024 0.00151 -0.00351 -0.00666 0.01016 28 4YY -0.00208 0.00042 0.00856 0.00363 -0.00345 29 4ZZ 0.00242 -0.00733 -0.00766 0.00068 -0.00533 30 4XY -0.00501 0.01189 0.00294 0.00787 0.00664 31 4XZ -0.00311 0.00451 0.00651 0.00105 -0.00073 32 4YZ 0.00529 -0.00991 -0.00311 0.00357 0.01170 33 4 H 1S 0.05617 -0.12065 -0.06953 -0.02882 0.02582 34 2S 0.06629 -0.15105 -0.08141 -0.03221 0.05060 35 5 C 1S 0.00477 0.00273 -0.00195 -0.01122 -0.00593 36 2S -0.00548 -0.01589 0.00788 0.02352 0.01976 37 2PX -0.05009 0.14865 -0.00045 0.19327 0.11825 38 2PY 0.00416 -0.01627 -0.21060 -0.00894 0.02855 39 2PZ 0.05498 -0.12127 -0.02538 0.20524 0.15019 40 3S -0.04964 0.07021 -0.00317 0.05566 -0.04864 41 3PX -0.00367 0.02667 0.00331 0.12740 0.11967 42 3PY 0.02026 -0.04046 -0.07796 0.00520 0.07355 43 3PZ 0.00492 -0.00323 -0.02240 0.13578 0.09076 44 4XX -0.00021 -0.00153 -0.00352 -0.00664 -0.01021 45 4YY 0.00207 -0.00039 0.00855 0.00362 0.00346 46 4ZZ -0.00243 0.00732 -0.00762 0.00065 0.00540 47 4XY -0.00501 0.01191 -0.00291 -0.00791 0.00670 48 4XZ 0.00311 -0.00450 0.00648 0.00104 0.00070 49 4YZ 0.00531 -0.00994 0.00311 -0.00355 0.01178 50 6 H 1S -0.05630 0.12082 -0.06904 -0.02900 -0.02586 51 2S -0.06644 0.15124 -0.08082 -0.03241 -0.05063 52 7 C 1S 0.01045 0.00120 0.00070 0.01250 0.01316 53 2S -0.02700 0.00310 -0.00761 -0.02323 -0.02798 54 2PX 0.08830 -0.10025 -0.06226 0.12499 0.25664 55 2PY 0.05385 -0.02397 0.18182 0.07739 0.08085 56 2PZ -0.10188 0.23185 -0.05516 0.04033 0.16023 57 3S -0.02203 -0.05086 0.02052 -0.06306 -0.04195 58 3PX 0.04254 -0.04290 -0.02764 0.07265 0.19400 59 3PY 0.01143 0.02954 0.04901 0.05959 0.02299 60 3PZ -0.03871 0.09635 -0.02278 0.03562 0.14738 61 4XX 0.00064 -0.00141 -0.00778 0.01108 0.00713 62 4YY 0.00227 -0.00269 0.02072 0.00379 0.00187 63 4ZZ -0.00156 0.00579 -0.00930 -0.01078 -0.00808 64 4XY -0.00278 0.00455 -0.00178 -0.00378 -0.00204 65 4XZ 0.00615 0.00382 0.00469 0.00194 -0.00298 66 4YZ 0.00327 -0.00689 -0.00265 -0.00445 -0.00137 67 8 H 1S 0.02707 -0.02582 0.15222 0.03718 0.02202 68 2S 0.04180 -0.03592 0.16873 0.04302 0.05207 69 9 C 1S 0.00999 -0.00301 -0.00650 0.00205 0.00741 70 2S -0.02395 0.00980 0.01915 -0.00735 -0.00909 71 2PX 0.14201 0.16969 0.00779 -0.05490 -0.07881 72 2PY -0.01403 0.01100 -0.27371 -0.09277 0.01312 73 2PZ 0.17319 -0.18142 0.03374 0.01729 -0.03549 74 3S -0.05245 0.02785 0.00799 -0.01553 -0.09872 75 3PX 0.07501 0.08641 0.00330 -0.01724 -0.04001 76 3PY -0.01225 -0.00183 -0.13289 -0.06116 0.01252 77 3PZ 0.06070 -0.11423 0.03253 -0.01020 -0.01916 78 4XX 0.00130 -0.00940 -0.00761 0.00246 0.00616 79 4YY 0.00038 0.00084 0.01219 0.00278 0.00402 80 4ZZ 0.00066 0.00559 -0.00679 -0.00717 -0.00916 81 4XY 0.00981 0.01124 0.00068 0.00034 -0.00311 82 4XZ 0.00984 0.00255 0.00308 -0.00569 -0.01280 83 4YZ 0.01005 -0.01132 -0.00383 -0.00202 -0.00326 84 10 H 1S 0.14070 -0.00323 -0.03772 -0.04866 -0.08672 85 2S 0.14969 0.00245 -0.04306 -0.04218 -0.10220 86 11 H 1S -0.06163 -0.13916 -0.06469 0.01827 0.06717 87 2S -0.01800 -0.12494 -0.06763 0.04703 0.11844 88 12 C 1S -0.01000 0.00304 -0.00648 0.00204 -0.00762 89 2S 0.02399 -0.00989 0.01907 -0.00729 0.00957 90 2PX -0.14175 -0.16966 0.00729 -0.05510 0.07897 91 2PY -0.01336 0.00976 0.27373 0.09266 0.01330 92 2PZ -0.17305 0.18133 0.03505 0.01715 0.03476 93 3S 0.05249 -0.02789 0.00786 -0.01562 0.09940 94 3PX -0.07491 -0.08643 0.00309 -0.01740 0.04024 95 3PY -0.01199 -0.00249 0.13289 0.06106 0.01258 96 3PZ -0.06061 0.11410 0.03316 -0.01008 0.01859 97 4XX -0.00130 0.00941 -0.00759 0.00247 -0.00623 98 4YY -0.00038 -0.00084 0.01218 0.00278 -0.00396 99 4ZZ -0.00065 -0.00559 -0.00678 -0.00718 0.00913 100 4XY 0.00983 0.01125 -0.00067 -0.00032 -0.00313 101 4XZ -0.00980 -0.00249 0.00308 -0.00570 0.01272 102 4YZ 0.01005 -0.01133 0.00381 0.00206 -0.00325 103 13 H 1S 0.06152 0.13920 -0.06433 0.01834 -0.06726 104 2S 0.01786 0.12497 -0.06717 0.04699 -0.11819 105 14 H 1S -0.14060 0.00359 -0.03750 -0.04884 0.08641 106 2S -0.14961 -0.00204 -0.04283 -0.04245 0.10141 107 15 C 1S 0.00395 0.00530 0.00343 -0.01308 0.00060 108 2S -0.01441 -0.00842 -0.00535 0.03294 -0.00384 109 2PX -0.06824 -0.04133 -0.04072 0.03641 0.07344 110 2PY 0.02144 0.01520 0.07048 -0.02273 0.01420 111 2PZ -0.03277 -0.00475 -0.01746 -0.00902 0.09992 112 3S 0.03889 -0.03289 -0.01001 0.03744 -0.00281 113 3PX -0.06154 -0.01569 -0.02903 0.01481 0.07938 114 3PY 0.04197 0.00385 0.02064 -0.01831 -0.01745 115 3PZ -0.00476 -0.02477 -0.01759 0.00799 0.06954 116 4XX 0.01181 0.00669 0.00323 -0.01366 0.00957 117 4YY -0.00250 -0.00149 0.00236 0.00225 -0.00208 118 4ZZ -0.00725 -0.00408 -0.00537 0.00946 -0.00506 119 4XY 0.00319 0.00175 -0.00107 -0.00084 -0.00526 120 4XZ 0.00162 -0.00018 0.00258 -0.00409 0.00501 121 4YZ 0.00352 0.00073 -0.00250 0.00144 -0.00751 122 16 H 1S -0.01322 -0.01720 -0.03246 0.04361 -0.06491 123 2S -0.00252 -0.01905 -0.03075 0.03388 -0.06950 124 17 C 1S -0.00396 -0.00534 0.00347 -0.01310 -0.00033 125 2S 0.01442 0.00848 -0.00543 0.03296 0.00338 126 2PX 0.06828 0.04164 -0.04080 0.03639 -0.07718 127 2PY 0.02119 0.01559 -0.07047 0.02280 0.01284 128 2PZ 0.03294 0.00489 -0.01760 -0.00902 -0.10285 129 3S -0.03881 0.03302 -0.01014 0.03765 0.00076 130 3PX 0.06166 0.01591 -0.02915 0.01484 -0.08166 131 3PY 0.04193 0.00393 -0.02059 0.01825 -0.01862 132 3PZ 0.00489 0.02492 -0.01764 0.00816 -0.07169 133 4XX -0.01179 -0.00672 0.00324 -0.01370 -0.00976 134 4YY 0.00248 0.00148 0.00236 0.00226 0.00212 135 4ZZ 0.00723 0.00412 -0.00537 0.00947 0.00523 136 4XY 0.00318 0.00174 0.00108 0.00084 -0.00507 137 4XZ -0.00162 0.00017 0.00258 -0.00410 -0.00509 138 4YZ 0.00351 0.00071 0.00252 -0.00146 -0.00731 139 18 H 1S 0.01301 0.01738 -0.03249 0.04370 0.06526 140 2S 0.00234 0.01925 -0.03081 0.03407 0.07049 141 19 O 1S 0.00437 0.00154 -0.00621 0.00386 -0.00237 142 2S -0.00427 -0.00466 0.01233 -0.00699 0.00188 143 2PX -0.17430 -0.06309 -0.06101 0.10701 -0.07007 144 2PY 0.09825 0.05460 -0.03251 0.00039 0.00136 145 2PZ -0.24698 -0.11942 -0.06044 0.16819 -0.07255 146 3S -0.03598 0.00553 0.02750 -0.02260 0.02655 147 3PX -0.13323 -0.04298 -0.04349 0.07736 -0.05907 148 3PY 0.06151 0.03947 -0.02188 -0.00022 0.00643 149 3PZ -0.16750 -0.08402 -0.04193 0.12539 -0.06447 150 4XX -0.00451 -0.00312 -0.00400 0.00661 0.00113 151 4YY 0.00625 0.00197 -0.00166 0.00056 -0.00074 152 4ZZ 0.00320 0.00021 0.00220 -0.00374 -0.00437 153 4XY -0.00616 -0.00148 -0.00084 0.00285 -0.00238 154 4XZ -0.00109 -0.00036 -0.00081 0.00131 0.00042 155 4YZ -0.01006 -0.00527 -0.00311 0.00633 -0.00284 156 20 O 1S -0.00440 -0.00150 -0.00621 0.00387 0.00227 157 2S 0.00432 0.00459 0.01234 -0.00699 -0.00178 158 2PX 0.17402 0.06330 -0.06128 0.10739 0.07356 159 2PY 0.09796 0.05424 0.03244 -0.00048 0.00173 160 2PZ 0.24706 0.11996 -0.06075 0.16880 0.07667 161 3S 0.03614 -0.00568 0.02746 -0.02273 -0.02541 162 3PX 0.13304 0.04313 -0.04371 0.07761 0.06194 163 3PY 0.06132 0.03924 0.02182 0.00018 0.00655 164 3PZ 0.16752 0.08439 -0.04214 0.12583 0.06780 165 4XX 0.00450 0.00314 -0.00401 0.00662 -0.00118 166 4YY -0.00624 -0.00195 -0.00166 0.00057 0.00068 167 4ZZ -0.00323 -0.00024 0.00221 -0.00375 0.00432 168 4XY -0.00615 -0.00148 0.00085 -0.00286 -0.00251 169 4XZ 0.00109 0.00037 -0.00081 0.00132 -0.00043 170 4YZ -0.01006 -0.00529 0.00312 -0.00634 -0.00291 171 21 C 1S 0.00001 -0.00002 0.00484 -0.00072 0.00007 172 2S -0.00003 0.00004 -0.01384 0.00373 -0.00016 173 2PX 0.00005 -0.00006 0.03285 -0.07146 -0.00071 174 2PY -0.01499 0.00165 -0.00005 0.00011 0.00728 175 2PZ 0.00011 -0.00022 0.08195 -0.11325 -0.00030 176 3S -0.00002 0.00006 -0.01436 0.00065 -0.00035 177 3PX 0.00002 0.00000 0.00508 -0.00275 -0.00013 178 3PY 0.01074 0.00629 -0.00004 0.00004 0.01238 179 3PZ 0.00006 -0.00004 0.02067 -0.01323 0.00051 180 4XX -0.00002 0.00002 -0.00861 0.01578 0.00018 181 4YY -0.00002 0.00000 -0.00006 0.00385 0.00001 182 4ZZ 0.00004 -0.00002 0.00936 -0.02004 -0.00018 183 4XY 0.00912 0.00345 -0.00001 0.00002 0.00582 184 4XZ 0.00001 0.00000 0.00053 0.00060 0.00000 185 4YZ 0.01719 0.00727 -0.00003 0.00005 0.00599 186 22 H 1S -0.00007 0.00011 -0.04717 0.08542 0.00088 187 2S -0.00006 0.00012 -0.05044 0.11073 0.00139 188 23 H 1S 0.00007 -0.00017 0.05915 -0.10843 -0.00087 189 2S 0.00006 -0.00023 0.07279 -0.14170 -0.00157 41 42 43 44 45 O V V V V Eigenvalues -- -0.18559 -0.00698 0.01019 0.08378 0.11232 1 1 C 1S 0.00459 0.02869 -0.00858 0.02362 -0.04190 2 2S -0.02192 -0.05192 0.04343 -0.04898 0.06234 3 2PX -0.03934 0.29309 -0.00555 0.00138 -0.03396 4 2PY 0.00711 -0.09330 0.01607 0.07474 -0.08526 5 2PZ -0.02703 0.18161 -0.01027 0.00276 -0.01105 6 3S 0.04352 -0.21233 -0.08759 -0.26231 0.59819 7 3PX -0.01707 0.37290 0.00171 -0.00382 -0.12853 8 3PY 0.03930 -0.10291 -0.02791 0.16935 -0.23963 9 3PZ -0.04601 0.21560 -0.03547 0.04913 0.06905 10 4XX 0.01118 -0.00005 -0.01991 -0.00063 -0.00326 11 4YY -0.00296 0.00191 0.00423 0.00823 -0.00911 12 4ZZ -0.00563 0.00736 0.01359 -0.00330 0.00292 13 4XY -0.00116 -0.00501 0.00000 0.00250 -0.00054 14 4XZ 0.00524 0.00390 -0.00874 0.00656 0.00082 15 4YZ 0.00006 -0.00468 0.00022 0.00385 0.00171 16 2 H 1S -0.01320 0.01321 0.01339 0.02887 -0.02883 17 2S -0.00737 0.05533 0.01315 0.42878 -0.62072 18 3 C 1S 0.00201 -0.00464 0.00657 0.02285 -0.02048 19 2S -0.01006 0.00473 -0.01370 -0.05095 0.02323 20 2PX 0.15233 -0.11912 -0.20431 -0.04002 0.07632 21 2PY -0.02304 0.03529 0.00609 0.03599 -0.05703 22 2PZ 0.11107 -0.10207 -0.15848 0.02650 -0.09760 23 3S -0.02394 0.03335 0.00436 -0.24376 0.42104 24 3PX 0.12779 -0.17081 -0.30164 -0.08837 0.15542 25 3PY -0.00636 0.02108 0.06014 0.06184 -0.11736 26 3PZ 0.08320 -0.14887 -0.17155 0.09400 -0.19309 27 4XX 0.00261 -0.01610 -0.00003 -0.00056 0.00123 28 4YY -0.00192 0.00378 0.00178 -0.00388 -0.00096 29 4ZZ -0.00273 0.00939 0.00085 0.00529 -0.00297 30 4XY 0.00503 -0.00838 0.01068 -0.00492 0.00731 31 4XZ 0.00084 0.00541 -0.00094 -0.00230 0.00122 32 4YZ 0.00570 -0.01381 0.00894 0.00595 -0.00807 33 4 H 1S 0.00365 -0.02140 0.01075 0.02993 -0.02734 34 2S 0.00450 -0.06296 0.06693 0.37800 -0.61097 35 5 C 1S 0.00189 -0.00456 -0.00667 0.02283 -0.02043 36 2S -0.00964 0.00457 0.01382 -0.05093 0.02310 37 2PX 0.15462 -0.12173 0.20254 -0.03982 0.07612 38 2PY 0.02355 -0.03533 0.00562 -0.03603 0.05723 39 2PZ 0.11399 -0.10417 0.15705 0.02658 -0.09759 40 3S -0.02525 0.03369 -0.00342 -0.24314 0.42071 41 3PX 0.13039 -0.17462 0.29895 -0.08818 0.15474 42 3PY 0.00785 -0.02188 0.06001 -0.06211 0.11742 43 3PZ 0.08485 -0.15092 0.16942 0.09436 -0.19314 44 4XX 0.00243 -0.01610 -0.00024 -0.00056 0.00122 45 4YY -0.00185 0.00377 -0.00172 -0.00385 -0.00099 46 4ZZ -0.00265 0.00943 -0.00067 0.00527 -0.00294 47 4XY -0.00490 0.00821 0.01080 0.00494 -0.00732 48 4XZ 0.00086 0.00538 0.00104 -0.00229 0.00122 49 4YZ -0.00547 0.01367 0.00914 -0.00596 0.00807 50 6 H 1S 0.00316 -0.02122 -0.01109 0.02991 -0.02737 51 2S 0.00344 -0.06199 -0.06811 0.37793 -0.61052 52 7 C 1S 0.00485 0.02867 0.00902 0.02361 -0.04187 53 2S -0.02250 -0.05142 -0.04420 -0.04889 0.06228 54 2PX -0.03479 0.29260 0.00987 0.00123 -0.03358 55 2PY -0.00566 0.09296 0.01748 -0.07479 0.08545 56 2PZ -0.02425 0.18147 0.01309 0.00249 -0.01059 57 3S 0.04298 -0.21461 0.08417 -0.26277 0.59775 58 3PX -0.01329 0.37254 0.00423 -0.00412 -0.12763 59 3PY -0.03909 0.10330 -0.02622 -0.16915 0.24009 60 3PZ -0.04346 0.21512 0.03912 0.04856 0.06951 61 4XX 0.01134 -0.00031 0.01995 -0.00061 -0.00327 62 4YY -0.00293 0.00198 -0.00423 0.00824 -0.00911 63 4ZZ -0.00578 0.00756 -0.01346 -0.00333 0.00294 64 4XY 0.00114 0.00500 0.00009 -0.00253 0.00057 65 4XZ 0.00522 0.00379 0.00883 0.00655 0.00085 66 4YZ -0.00006 0.00467 0.00032 -0.00383 -0.00171 67 8 H 1S -0.01287 0.01348 -0.01330 0.02887 -0.02889 68 2S -0.00641 0.05576 -0.01270 0.42862 -0.62120 69 9 C 1S 0.01164 -0.01421 0.01532 0.05242 0.00914 70 2S -0.02713 0.02581 -0.03211 -0.07737 -0.00297 71 2PX -0.00807 0.01045 -0.02034 0.09417 0.10175 72 2PY 0.00762 -0.01767 -0.02747 -0.05147 -0.02517 73 2PZ 0.04282 -0.02674 0.05399 -0.08105 0.00519 74 3S -0.04018 0.13081 -0.14287 -0.73824 -0.26377 75 3PX -0.01371 0.01261 -0.05362 0.18147 0.21118 76 3PY 0.00271 0.01389 -0.04796 -0.19720 -0.15815 77 3PZ 0.03364 -0.02033 0.04190 -0.16151 0.07229 78 4XX 0.00189 0.00646 0.00249 0.01073 0.00045 79 4YY -0.00252 0.00567 -0.00077 -0.00370 -0.00065 80 4ZZ 0.00259 -0.01493 -0.00088 0.00229 -0.00190 81 4XY 0.00037 0.00589 -0.00097 -0.00322 -0.00054 82 4XZ 0.00381 -0.01389 0.00232 -0.00026 -0.00083 83 4YZ 0.00097 -0.00203 0.00224 0.00681 -0.00838 84 10 H 1S 0.01891 -0.06091 0.01233 0.01249 -0.01636 85 2S 0.04905 -0.20086 0.09647 0.34464 -0.17684 86 11 H 1S -0.00161 0.02824 0.00575 0.03637 0.00737 87 2S -0.02441 0.04305 0.00706 0.67030 0.34950 88 12 C 1S 0.01148 -0.01401 -0.01553 0.05242 0.00924 89 2S -0.02694 0.02537 0.03251 -0.07735 -0.00302 90 2PX -0.00675 0.01011 0.02065 0.09422 0.10186 91 2PY -0.00750 0.01813 -0.02705 0.05160 0.02541 92 2PZ 0.04322 -0.02583 -0.05427 -0.08088 0.00531 93 3S -0.03809 0.12904 0.14476 -0.73848 -0.26556 94 3PX -0.01300 0.01184 0.05410 0.18147 0.21131 95 3PY -0.00251 -0.01316 -0.04797 0.19731 0.15855 96 3PZ 0.03384 -0.01937 -0.04204 -0.16062 0.07314 97 4XX 0.00176 0.00654 -0.00238 0.01073 0.00045 98 4YY -0.00258 0.00564 0.00085 -0.00367 -0.00068 99 4ZZ 0.00276 -0.01497 0.00063 0.00226 -0.00185 100 4XY -0.00042 -0.00585 -0.00106 0.00322 0.00055 101 4XZ 0.00404 -0.01387 -0.00256 -0.00026 -0.00081 102 4YZ -0.00102 0.00202 0.00228 -0.00682 0.00837 103 13 H 1S -0.00282 0.02846 -0.00524 0.03639 0.00733 104 2S -0.02663 0.04318 -0.00598 0.67009 0.35041 105 14 H 1S 0.02037 -0.06084 -0.01335 0.01245 -0.01623 106 2S 0.05071 -0.19990 -0.10006 0.34448 -0.17614 107 15 C 1S -0.01554 -0.01199 0.05198 0.01388 -0.00966 108 2S 0.02620 0.03858 -0.11127 -0.04164 0.00113 109 2PX 0.22061 0.16057 -0.23618 -0.01559 0.06719 110 2PY -0.08637 -0.03448 0.07417 0.03080 -0.05615 111 2PZ 0.17795 0.10075 -0.20913 0.03482 -0.11981 112 3S 0.11559 -0.00124 -0.27445 -0.14059 0.29371 113 3PX 0.14406 0.20530 -0.31361 -0.07927 0.14828 114 3PY -0.07636 -0.00932 0.23628 0.04988 -0.12701 115 3PZ 0.13673 0.08095 -0.11649 0.10461 -0.27862 116 4XX 0.00848 -0.00552 0.00417 0.00188 0.00358 117 4YY -0.00095 0.00093 0.00405 -0.00080 -0.00555 118 4ZZ -0.01026 -0.00186 0.00642 0.00347 -0.00131 119 4XY 0.01157 0.01360 0.01154 -0.00153 0.00289 120 4XZ 0.00286 -0.01135 -0.00582 0.00154 -0.00409 121 4YZ 0.01251 0.01059 0.00822 0.00258 -0.01278 122 16 H 1S -0.01038 0.02366 0.06331 0.00915 -0.03372 123 2S -0.04073 0.05742 0.35393 0.28051 -0.60503 124 17 C 1S -0.01569 -0.01133 -0.05227 0.01391 -0.00955 125 2S 0.02655 0.03710 0.11204 -0.04165 0.00079 126 2PX 0.21936 0.15680 0.23839 -0.01564 0.06803 127 2PY 0.08626 0.03318 0.07446 -0.03087 0.05601 128 2PZ 0.17622 0.09739 0.21039 0.03476 -0.11985 129 3S 0.11610 -0.00442 0.27522 -0.14111 0.29374 130 3PX 0.14266 0.20083 0.31653 -0.07909 0.14900 131 3PY 0.07589 0.00620 0.23626 -0.04991 0.12569 132 3PZ 0.13536 0.07907 0.11761 0.10452 -0.27828 133 4XX 0.00828 -0.00551 -0.00427 0.00188 0.00358 134 4YY -0.00087 0.00101 -0.00408 -0.00078 -0.00562 135 4ZZ -0.01022 -0.00180 -0.00641 0.00346 -0.00125 136 4XY -0.01167 -0.01377 0.01133 0.00153 -0.00285 137 4XZ 0.00275 -0.01148 0.00568 0.00155 -0.00415 138 4YZ -0.01264 -0.01073 0.00810 -0.00259 0.01276 139 18 H 1S -0.00932 0.02463 -0.06317 0.00918 -0.03346 140 2S -0.03966 0.06226 -0.35354 0.28058 -0.60333 141 19 O 1S 0.00596 -0.00563 -0.01761 0.01155 -0.00888 142 2S -0.00546 0.00794 0.04335 -0.03191 0.00963 143 2PX -0.18639 -0.01716 0.12498 -0.01593 0.06035 144 2PY 0.02682 0.01480 0.01600 -0.01249 0.02695 145 2PZ -0.21768 -0.08142 0.08152 0.00350 -0.00500 146 3S -0.06501 0.07317 0.11265 -0.11305 0.11928 147 3PX -0.15671 -0.00608 0.10861 -0.03686 0.07028 148 3PY 0.01207 0.02627 0.00838 -0.07051 0.05077 149 3PZ -0.17845 -0.09867 0.09469 0.04655 0.02207 150 4XX 0.00412 0.00198 -0.01483 -0.00271 -0.00453 151 4YY 0.00348 -0.00092 0.00162 -0.00299 -0.00380 152 4ZZ 0.00100 -0.00599 0.00721 -0.00046 -0.00314 153 4XY -0.00707 0.00050 0.00326 -0.00060 -0.00354 154 4XZ 0.00027 -0.00121 0.00156 0.01157 0.00503 155 4YZ -0.00295 0.00121 0.00246 -0.00326 -0.00296 156 20 O 1S 0.00601 -0.00585 0.01753 0.01155 -0.00925 157 2S -0.00551 0.00853 -0.04324 -0.03194 0.01021 158 2PX -0.18521 -0.01511 -0.12506 -0.01592 0.06011 159 2PY -0.02644 -0.01484 0.01591 0.01249 -0.02742 160 2PZ -0.21650 -0.08003 -0.08242 0.00357 -0.00474 161 3S -0.06544 0.07448 -0.11148 -0.11300 0.12330 162 3PX -0.15566 -0.00432 -0.10850 -0.03679 0.06982 163 3PY -0.01167 -0.02614 0.00814 0.07042 -0.05184 164 3PZ -0.17738 -0.09712 -0.09590 0.04667 0.02255 165 4XX 0.00409 0.00177 0.01485 -0.00272 -0.00467 166 4YY 0.00348 -0.00088 -0.00164 -0.00301 -0.00385 167 4ZZ 0.00108 -0.00586 -0.00727 -0.00046 -0.00329 168 4XY 0.00703 -0.00055 0.00326 0.00058 0.00353 169 4XZ 0.00027 -0.00119 -0.00157 0.01157 0.00509 170 4YZ 0.00292 -0.00123 0.00245 0.00326 0.00295 171 21 C 1S -0.00840 0.00000 0.00001 0.05870 0.04876 172 2S 0.02051 0.00330 0.00002 -0.10857 -0.07175 173 2PX 0.07240 0.00107 -0.00002 0.05305 0.05284 174 2PY 0.00005 -0.00040 0.06589 0.00021 -0.00076 175 2PZ 0.02598 -0.02193 -0.00015 -0.19214 -0.16872 176 3S 0.04374 -0.02248 -0.00031 -0.80841 -0.80830 177 3PX 0.01173 0.01857 0.00014 0.17789 0.14556 178 3PY 0.00018 -0.00071 0.11953 0.00059 -0.00189 179 3PZ -0.05634 -0.04080 -0.00023 -0.48232 -0.43506 180 4XX -0.01839 -0.00012 0.00001 0.01075 0.00339 181 4YY -0.00229 -0.00337 -0.00001 0.00118 -0.00217 182 4ZZ 0.01982 0.00331 0.00001 0.00492 0.00639 183 4XY 0.00004 0.00010 -0.01363 -0.00001 0.00005 184 4XZ 0.00044 0.00052 0.00000 0.00824 0.00557 185 4YZ 0.00002 0.00005 -0.00627 0.00000 -0.00006 186 22 H 1S -0.09040 -0.00387 0.00000 0.03350 0.02902 187 2S -0.14839 -0.00366 0.00006 0.46160 0.43010 188 23 H 1S 0.08856 0.01615 0.00009 0.02913 0.04102 189 2S 0.16267 0.08581 0.00071 0.84972 0.84374 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12248 0.12316 0.13517 0.14425 1 1 C 1S -0.01239 0.01036 0.00368 -0.00793 -0.01032 2 2S 0.02188 -0.01841 -0.01636 0.02423 0.01509 3 2PX -0.20674 0.13250 0.04008 -0.02630 -0.03343 4 2PY 0.06504 -0.07706 -0.06140 -0.02489 0.00109 5 2PZ -0.09806 0.06672 -0.02349 -0.02577 0.01715 6 3S 0.13102 -0.08955 -0.00207 0.04106 0.14837 7 3PX -0.26597 0.25830 0.07012 -0.11179 0.05412 8 3PY 0.14022 -0.21784 -0.13165 -0.09240 -0.02368 9 3PZ -0.14773 0.01057 0.04782 -0.18941 -0.00204 10 4XX 0.00750 -0.00118 0.00527 -0.00037 -0.00389 11 4YY 0.00259 -0.00300 -0.00856 -0.00710 0.00506 12 4ZZ -0.01372 0.00794 0.00129 0.00659 -0.00246 13 4XY 0.00791 -0.00744 -0.01032 0.00576 -0.00284 14 4XZ -0.00238 0.00411 -0.00499 -0.00069 -0.00052 15 4YZ 0.00727 -0.00379 0.00086 0.00432 -0.00349 16 2 H 1S 0.01979 -0.01807 -0.02595 -0.02464 0.01494 17 2S 0.09725 -0.20690 -0.19247 -0.21890 -0.06031 18 3 C 1S -0.01458 0.01238 -0.03586 -0.01151 0.01712 19 2S 0.02908 -0.03548 0.05407 0.02272 -0.04574 20 2PX 0.20622 -0.06320 0.04081 0.04240 0.01120 21 2PY 0.01548 -0.01372 -0.04931 -0.01754 0.02849 22 2PZ 0.17869 -0.06892 -0.10071 0.00501 0.07733 23 3S 0.08217 -0.06008 0.55189 0.13646 -0.28231 24 3PX 0.36918 -0.17016 0.10226 0.06036 -0.03926 25 3PY -0.00865 0.03011 -0.19898 -0.03559 0.12886 26 3PZ 0.25940 -0.10078 -0.20844 -0.02203 0.10413 27 4XX 0.00913 -0.00582 -0.00652 -0.00171 0.00608 28 4YY -0.00706 0.00504 0.00439 0.00137 -0.00417 29 4ZZ -0.00667 0.00203 -0.00552 -0.00080 -0.00412 30 4XY -0.00975 0.00328 0.00591 0.00813 -0.00192 31 4XZ -0.00167 0.00412 0.00379 0.00212 0.00251 32 4YZ -0.00494 0.00040 -0.00980 0.00140 0.00319 33 4 H 1S -0.01539 -0.00785 -0.05037 -0.02522 0.00280 34 2S -0.04011 0.02576 -0.71107 -0.19416 0.35191 35 5 C 1S 0.01485 -0.01448 -0.03500 -0.01153 0.01738 36 2S -0.02950 0.03866 0.05181 0.02269 -0.04612 37 2PX -0.20631 0.06567 0.03542 0.04263 0.01066 38 2PY 0.01520 -0.01062 0.05031 0.01774 -0.02947 39 2PZ -0.17798 0.06268 -0.10562 0.00495 0.07818 40 3S -0.08604 0.09293 0.54608 0.13806 -0.28933 41 3PX -0.36962 0.17632 0.08946 0.06062 -0.04152 42 3PY -0.01002 0.04181 0.19774 0.03476 -0.12795 43 3PZ -0.25824 0.08823 -0.21549 -0.02198 0.10689 44 4XX -0.00907 0.00545 -0.00690 -0.00169 0.00609 45 4YY 0.00702 -0.00478 0.00467 0.00141 -0.00428 46 4ZZ 0.00671 -0.00235 -0.00532 -0.00082 -0.00407 47 4XY -0.00975 0.00292 -0.00618 -0.00813 0.00193 48 4XZ 0.00163 -0.00390 0.00402 0.00210 0.00252 49 4YZ -0.00500 0.00096 0.00974 -0.00139 -0.00318 50 6 H 1S 0.01571 0.00493 -0.05063 -0.02521 0.00287 51 2S 0.04472 -0.06848 -0.70794 -0.19480 0.35868 52 7 C 1S 0.01244 -0.01046 0.00445 -0.00810 -0.00979 53 2S -0.02186 0.01800 -0.01773 0.02454 0.01430 54 2PX 0.20662 -0.13048 0.04908 -0.02654 -0.03287 55 2PY 0.06463 -0.07312 0.06604 0.02557 -0.00380 56 2PZ 0.09838 -0.06824 -0.01884 -0.02588 0.01749 57 3S -0.13154 0.09342 -0.00899 0.04332 0.13817 58 3PX 0.26547 -0.25531 0.08672 -0.11189 0.05500 59 3PY 0.13920 -0.20910 0.14369 0.09548 0.01560 60 3PZ 0.14771 -0.00852 0.04972 -0.18985 -0.00168 61 4XX -0.00752 0.00145 0.00514 -0.00037 -0.00385 62 4YY -0.00255 0.00246 -0.00871 -0.00710 0.00509 63 4ZZ 0.01375 -0.00785 0.00185 0.00655 -0.00244 64 4XY 0.00781 -0.00688 0.01081 -0.00572 0.00281 65 4XZ 0.00245 -0.00441 -0.00474 -0.00070 -0.00044 66 4YZ 0.00723 -0.00384 -0.00063 -0.00433 0.00344 67 8 H 1S -0.01957 0.01634 -0.02704 -0.02472 0.01527 68 2S -0.09572 0.19191 -0.20300 -0.22304 -0.04571 69 9 C 1S 0.00814 0.02131 0.01816 -0.03960 -0.00557 70 2S -0.00730 -0.00538 -0.01701 0.04337 0.00184 71 2PX 0.04591 0.02345 -0.11991 0.11329 -0.09411 72 2PY 0.05830 -0.05363 -0.02408 0.06767 0.01863 73 2PZ -0.02549 -0.01552 -0.14026 0.08827 0.01722 74 3S -0.12875 -0.45810 -0.38925 0.70759 0.14333 75 3PX 0.15089 0.07706 -0.34370 0.30739 -0.28012 76 3PY 0.15519 -0.10458 -0.13318 0.19153 0.03937 77 3PZ -0.04531 0.00284 -0.36425 0.20440 0.03897 78 4XX 0.00356 0.00021 0.00594 -0.00343 -0.00478 79 4YY 0.00719 -0.00132 0.00101 -0.00205 -0.00174 80 4ZZ -0.00924 0.00868 -0.00246 -0.00288 0.00403 81 4XY 0.00503 -0.00092 0.01143 -0.00253 0.00577 82 4XZ -0.00822 0.00777 0.01257 0.00044 -0.00029 83 4YZ -0.00192 0.00071 0.00397 -0.00403 -0.00053 84 10 H 1S -0.04469 0.04028 0.06220 -0.02403 0.01625 85 2S -0.19772 0.23235 0.87593 -0.81909 0.17618 86 11 H 1S 0.02417 -0.01495 -0.03202 0.00350 -0.02949 87 2S 0.18998 0.23759 -0.19146 -0.05054 -0.45003 88 12 C 1S -0.00834 -0.02028 0.01923 -0.03948 -0.00572 89 2S 0.00755 0.00447 -0.01728 0.04344 0.00163 90 2PX -0.04460 -0.02934 -0.11866 0.11356 -0.09461 91 2PY 0.05801 -0.05223 0.02766 -0.06765 -0.01973 92 2PZ 0.02660 0.00794 -0.14070 0.08801 0.01786 93 3S 0.13236 0.43569 -0.41228 0.70415 0.14882 94 3PX -0.14743 -0.09401 -0.33949 0.30812 -0.28173 95 3PY 0.15390 -0.09651 0.14100 -0.19248 -0.03899 96 3PZ 0.04857 -0.02223 -0.36358 0.20475 0.03968 97 4XX -0.00363 0.00013 0.00590 -0.00340 -0.00487 98 4YY -0.00717 0.00136 0.00088 -0.00205 -0.00166 99 4ZZ 0.00924 -0.00881 -0.00191 -0.00286 0.00395 100 4XY 0.00512 -0.00152 -0.01135 0.00253 -0.00577 101 4XZ 0.00810 -0.00705 0.01302 0.00043 -0.00028 102 4YZ -0.00191 0.00056 -0.00401 0.00403 0.00053 103 13 H 1S -0.02390 0.01321 -0.03299 0.00357 -0.02972 104 2S -0.18772 -0.24589 -0.17942 -0.04859 -0.45422 105 14 H 1S 0.04411 -0.03688 0.06468 -0.02407 0.01626 106 2S 0.18931 -0.18609 0.88891 -0.81895 0.17422 107 15 C 1S 0.04789 -0.00470 0.00467 0.02441 0.04000 108 2S -0.10809 -0.00021 -0.02770 -0.02962 -0.08312 109 2PX -0.06008 0.25055 -0.07030 -0.06650 0.11881 110 2PY 0.09229 0.05003 0.00868 0.09748 0.05139 111 2PZ -0.10936 0.05935 0.07790 0.18002 -0.10653 112 3S -0.37733 0.13424 -0.07855 -0.54106 -0.46273 113 3PX -0.18510 0.43752 -0.16081 -0.22831 0.28799 114 3PY 0.15621 0.23232 0.03779 0.24307 0.21976 115 3PZ 0.02043 0.07603 0.18922 0.39014 -0.20873 116 4XX 0.00754 -0.00259 -0.00611 0.00003 0.00829 117 4YY -0.00151 -0.00781 -0.00031 0.00529 -0.01142 118 4ZZ 0.00676 0.00165 0.00663 0.00099 0.00471 119 4XY -0.00010 -0.01201 -0.00400 -0.01081 0.01374 120 4XZ -0.00127 -0.00885 0.00784 -0.00083 -0.01363 121 4YZ 0.00249 0.00024 0.01332 0.01507 -0.01039 122 16 H 1S 0.04670 0.03343 0.03747 0.05614 -0.00890 123 2S 0.41187 0.12685 0.35212 0.94815 0.08009 124 17 C 1S -0.04796 0.00492 0.00401 0.02431 0.04041 125 2S 0.10840 -0.00123 -0.02670 -0.02947 -0.08354 126 2PX 0.06084 -0.25455 -0.05564 -0.06617 0.11924 127 2PY 0.09216 0.04967 -0.01080 -0.09799 -0.05145 128 2PZ 0.10901 -0.05484 0.08234 0.17948 -0.10528 129 3S 0.37770 -0.13769 -0.06813 -0.53950 -0.47103 130 3PX 0.18671 -0.44662 -0.13440 -0.22660 0.28760 131 3PY 0.15636 0.23042 -0.05001 -0.24428 -0.21798 132 3PZ -0.02154 -0.06515 0.19405 0.38862 -0.20385 133 4XX -0.00751 0.00228 -0.00630 0.00002 0.00838 134 4YY 0.00149 0.00780 -0.00068 0.00531 -0.01140 135 4ZZ -0.00681 -0.00130 0.00661 0.00095 0.00474 136 4XY -0.00017 -0.01170 0.00465 0.01084 -0.01370 137 4XZ 0.00114 0.00928 0.00734 -0.00080 -0.01368 138 4YZ 0.00259 -0.00047 -0.01330 -0.01508 0.01043 139 18 H 1S -0.04699 -0.03113 0.03889 0.05621 -0.00902 140 2S -0.41401 -0.10846 0.35625 0.94643 0.08755 141 19 O 1S -0.04238 -0.06481 0.02021 0.00226 -0.04990 142 2S 0.06962 0.08742 -0.03485 -0.01879 0.07555 143 2PX -0.00164 -0.09689 -0.07454 -0.07927 0.09365 144 2PY 0.07162 0.08427 -0.05135 0.00001 0.07173 145 2PZ 0.07566 0.04245 0.01024 0.03732 -0.10658 146 3S 0.44786 0.80730 -0.25703 -0.00349 0.59914 147 3PX -0.05097 -0.13583 -0.12206 -0.14077 0.12569 148 3PY 0.13460 0.21389 -0.11152 -0.02075 0.15285 149 3PZ 0.13524 0.06460 0.01324 0.05098 -0.19906 150 4XX -0.02423 -0.02265 0.00629 -0.00584 -0.02162 151 4YY -0.00313 -0.01306 0.00034 -0.00291 -0.01113 152 4ZZ -0.01344 -0.03588 0.00669 -0.00760 -0.01768 153 4XY -0.00080 0.00046 0.00393 0.00724 0.00875 154 4XZ 0.00906 0.00796 0.00520 0.00310 0.00240 155 4YZ 0.00293 0.00186 0.00254 -0.00064 0.00284 156 20 O 1S 0.04216 0.06586 0.01697 0.00207 -0.04978 157 2S -0.06929 -0.08932 -0.03058 -0.01858 0.07540 158 2PX 0.00226 0.09229 -0.07990 -0.07953 0.09373 159 2PY 0.07116 0.08690 0.04719 -0.00020 -0.07181 160 2PZ -0.07569 -0.04124 0.01193 0.03774 -0.10753 161 3S -0.44507 -0.82049 -0.21600 -0.00073 0.59715 162 3PX 0.05199 0.12832 -0.12917 -0.14108 0.12555 163 3PY 0.13367 0.21958 0.10069 0.01993 -0.15221 164 3PZ -0.13517 -0.06260 0.01560 0.05148 -0.20038 165 4XX 0.02416 0.02297 0.00525 -0.00593 -0.02159 166 4YY 0.00310 0.01305 -0.00035 -0.00298 -0.01105 167 4ZZ 0.01335 0.03619 0.00480 -0.00768 -0.01767 168 4XY -0.00076 0.00027 -0.00396 -0.00726 -0.00873 169 4XZ -0.00910 -0.00766 0.00555 0.00309 0.00243 170 4YZ 0.00293 0.00170 -0.00263 0.00064 -0.00281 171 21 C 1S 0.00008 0.00041 0.00920 0.05795 0.06461 172 2S 0.00001 -0.00141 -0.04195 -0.09734 -0.09105 173 2PX -0.00037 0.00227 0.09010 0.07808 0.24173 174 2PY 0.22826 0.34637 -0.00862 -0.00053 0.00021 175 2PZ -0.00003 0.00096 0.03450 0.03548 0.13736 176 3S -0.00124 -0.00465 -0.08837 -0.79213 -0.99123 177 3PX -0.00138 0.00862 0.33382 0.13275 0.61773 178 3PY 0.62494 0.88971 -0.02191 -0.00141 0.00066 179 3PZ 0.00003 0.00195 0.07164 0.07110 0.31629 180 4XX -0.00001 0.00012 0.00473 0.00394 0.01355 181 4YY -0.00002 0.00002 0.00131 0.00812 -0.00620 182 4ZZ 0.00004 -0.00005 -0.00352 0.00275 0.00523 183 4XY -0.01714 -0.01392 0.00030 0.00002 0.00001 184 4XZ -0.00004 0.00011 0.00443 -0.00494 -0.00597 185 4YZ 0.01048 0.02308 -0.00059 -0.00002 -0.00002 186 22 H 1S -0.00003 0.00035 0.01439 0.00763 0.07889 187 2S -0.00108 0.01286 0.46004 0.59994 1.41893 188 23 H 1S 0.00011 -0.00032 -0.01378 0.00903 0.02091 189 2S 0.00178 -0.00213 -0.15952 0.24457 -0.09552 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16394 0.17145 0.17765 0.19270 1 1 C 1S -0.04496 -0.01270 -0.08279 0.00575 -0.01575 2 2S 0.06338 0.01535 0.10005 -0.03034 0.05211 3 2PX -0.07376 0.05068 0.02160 -0.03492 -0.00223 4 2PY -0.20026 -0.00270 -0.07369 0.05771 0.07587 5 2PZ -0.04267 0.03326 0.10823 0.03264 -0.03257 6 3S 0.86501 0.25023 1.44170 0.00659 -0.00436 7 3PX -0.12941 0.09729 0.09319 -0.07828 0.09249 8 3PY -0.60161 0.06322 -0.25377 0.33120 0.02662 9 3PZ -0.00983 0.04845 0.22268 0.37001 -0.04491 10 4XX -0.00485 0.00114 -0.00528 -0.00107 -0.00505 11 4YY -0.00189 0.00044 -0.00064 -0.00264 0.01113 12 4ZZ -0.00169 -0.00449 -0.01049 0.00255 -0.00736 13 4XY -0.00118 0.00340 -0.00075 0.00455 -0.00476 14 4XZ -0.00651 0.00020 0.00084 -0.00030 0.00377 15 4YZ -0.00440 -0.00438 -0.00510 -0.01351 0.00340 16 2 H 1S -0.02126 0.00176 -0.02368 -0.01784 0.04067 17 2S -1.13220 -0.02723 -0.85859 0.32535 0.14168 18 3 C 1S -0.02434 0.01343 0.03539 -0.04227 0.05794 19 2S 0.03820 0.03148 -0.03288 0.06381 -0.07422 20 2PX 0.06619 -0.07773 -0.04047 -0.02958 -0.07375 21 2PY -0.06672 0.04464 0.08613 0.01230 0.06296 22 2PZ -0.06174 0.00056 0.03387 -0.05974 0.06888 23 3S 0.59017 -0.40560 -0.73645 0.58892 -0.87157 24 3PX 0.25339 -0.05618 -0.05168 0.06328 -0.24398 25 3PY 0.06246 0.14061 0.35784 -0.05299 0.20114 26 3PZ -0.23391 0.02501 0.02677 -0.27866 0.43132 27 4XX -0.00011 -0.00261 -0.00018 0.00112 0.00856 28 4YY 0.00809 0.00631 -0.00049 -0.01160 0.00478 29 4ZZ -0.00480 0.00782 0.00683 0.00001 0.00217 30 4XY -0.00075 -0.00554 -0.00138 0.00029 0.00199 31 4XZ -0.00007 -0.00677 -0.00325 -0.00108 -0.00453 32 4YZ 0.00102 -0.00218 -0.00822 0.00325 -0.00261 33 4 H 1S -0.00644 0.03755 0.01576 -0.00139 0.04620 34 2S -0.59320 0.33179 0.60690 -0.47310 1.01058 35 5 C 1S 0.02416 0.01338 0.03542 0.04221 -0.05798 36 2S -0.03760 0.03160 -0.03291 -0.06376 0.07422 37 2PX -0.06625 -0.07765 -0.04046 0.02970 0.07378 38 2PY -0.06660 -0.04451 -0.08609 0.01242 0.06321 39 2PZ 0.06080 0.00031 0.03374 0.05980 -0.06870 40 3S -0.58748 -0.40534 -0.73740 -0.58750 0.87229 41 3PX -0.25286 -0.05546 -0.05149 -0.06323 0.24360 42 3PY 0.06315 -0.14027 -0.35771 -0.05279 0.20215 43 3PZ 0.23299 0.02376 0.02612 0.27851 -0.43086 44 4XX 0.00003 -0.00265 -0.00020 -0.00112 -0.00857 45 4YY -0.00803 0.00633 -0.00048 0.01159 -0.00477 46 4ZZ 0.00485 0.00783 0.00685 -0.00001 -0.00219 47 4XY -0.00076 0.00554 0.00138 0.00027 0.00197 48 4XZ 0.00003 -0.00676 -0.00325 0.00108 0.00454 49 4YZ 0.00102 0.00217 0.00821 0.00325 -0.00261 50 6 H 1S 0.00643 0.03750 0.01575 0.00137 -0.04625 51 2S 0.58949 0.33023 0.60709 0.47208 -1.01090 52 7 C 1S 0.04510 -0.01272 -0.08274 -0.00560 0.01580 53 2S -0.06350 0.01526 0.09993 0.03012 -0.05217 54 2PX 0.07432 0.05086 0.02193 0.03488 0.00205 55 2PY -0.20024 0.00312 0.07372 0.05775 0.07588 56 2PZ 0.04208 0.03333 0.10848 -0.03267 0.03258 57 3S -0.86707 0.25172 1.44142 -0.00883 0.00333 58 3PX 0.12904 0.09764 0.09392 0.07780 -0.09270 59 3PY -0.60190 -0.06292 0.25391 0.33162 0.02707 60 3PZ 0.00788 0.04840 0.22305 -0.36960 0.04438 61 4XX 0.00491 0.00115 -0.00527 0.00107 0.00507 62 4YY 0.00185 0.00039 -0.00066 0.00270 -0.01114 63 4ZZ 0.00172 -0.00448 -0.01046 -0.00258 0.00738 64 4XY -0.00125 -0.00341 0.00076 0.00455 -0.00472 65 4XZ 0.00652 0.00017 0.00083 0.00032 -0.00377 66 4YZ -0.00444 0.00439 0.00510 -0.01351 0.00336 67 8 H 1S 0.02108 0.00169 -0.02366 0.01788 -0.04066 68 2S 1.13278 -0.02868 -0.85888 -0.32404 -0.14199 69 9 C 1S 0.00346 -0.00218 0.03754 -0.11466 0.00881 70 2S 0.02176 -0.01208 -0.03714 0.09206 0.00020 71 2PX 0.03335 0.01437 -0.09139 -0.00506 0.01489 72 2PY -0.07341 0.00890 -0.04078 -0.04693 0.09730 73 2PZ -0.05397 0.08234 0.06561 0.10588 -0.01333 74 3S -0.24980 0.12683 -0.62628 2.23064 -0.21033 75 3PX 0.11885 -0.05120 -0.31161 0.07426 0.16638 76 3PY 0.05610 0.03167 -0.28567 -0.46137 0.31978 77 3PZ -0.09284 0.16488 0.27516 0.21848 0.05667 78 4XX 0.00717 0.00075 -0.00270 -0.00209 -0.00103 79 4YY -0.00723 -0.00269 -0.00298 -0.01885 0.00931 80 4ZZ 0.00474 -0.00098 0.01227 -0.00191 -0.00651 81 4XY 0.00049 0.00303 0.01179 0.00045 0.00073 82 4XZ -0.00385 0.00086 -0.00565 -0.00039 0.00395 83 4YZ 0.00035 -0.00452 -0.01441 0.00166 -0.00247 84 10 H 1S -0.00966 -0.00347 -0.00525 -0.00690 -0.01233 85 2S 0.06975 -0.20877 0.31107 -0.87857 -0.19395 86 11 H 1S 0.02088 -0.01306 -0.03992 -0.00284 -0.00960 87 2S 0.26245 -0.16375 -0.17011 -0.67475 -0.00805 88 12 C 1S -0.00355 -0.00209 0.03770 0.11463 -0.00889 89 2S -0.02166 -0.01221 -0.03731 -0.09200 -0.00016 90 2PX -0.03169 0.01435 -0.09152 0.00521 -0.01477 91 2PY -0.07355 -0.00875 0.04081 -0.04676 0.09710 92 2PZ 0.05416 0.08215 0.06539 -0.10621 0.01356 93 3S 0.25136 0.12540 -0.62916 -2.23033 0.21204 94 3PX -0.11428 -0.05130 -0.31224 -0.07366 -0.16601 95 3PY 0.05542 -0.03146 0.28531 -0.46130 0.31934 96 3PZ 0.09354 0.16382 0.27450 -0.21994 -0.05641 97 4XX -0.00714 0.00076 -0.00268 0.00209 0.00103 98 4YY 0.00724 -0.00272 -0.00302 0.01887 -0.00931 99 4ZZ -0.00478 -0.00093 0.01232 0.00190 0.00650 100 4XY 0.00054 -0.00303 -0.01178 0.00046 0.00075 101 4XZ 0.00385 0.00085 -0.00569 0.00039 -0.00393 102 4YZ 0.00038 0.00452 0.01438 0.00167 -0.00251 103 13 H 1S -0.02056 -0.01301 -0.03986 0.00295 0.00956 104 2S -0.25732 -0.16245 -0.16876 0.67506 0.00780 105 14 H 1S 0.00937 -0.00342 -0.00525 0.00687 0.01239 106 2S -0.07582 -0.20727 0.31295 0.87882 0.19290 107 15 C 1S -0.03279 -0.05607 -0.00413 -0.01465 -0.06486 108 2S 0.03764 0.09088 0.01994 0.01500 0.09260 109 2PX -0.05979 -0.06259 -0.05502 0.02304 -0.02852 110 2PY -0.01622 -0.12460 -0.02499 0.03181 -0.01130 111 2PZ -0.13197 0.01278 0.08395 -0.07714 -0.20233 112 3S 0.64510 0.90712 -0.10912 0.25879 1.08535 113 3PX 0.00447 -0.24180 -0.12490 0.14407 0.17644 114 3PY 0.04300 -0.44305 0.09464 -0.02025 -0.01002 115 3PZ -0.45569 0.03483 0.16359 -0.30160 -0.68627 116 4XX -0.00613 -0.00892 -0.00390 -0.00025 -0.00873 117 4YY -0.00403 0.00889 -0.00011 -0.01068 -0.01368 118 4ZZ 0.00076 -0.00111 0.00305 0.00264 0.00180 119 4XY 0.00221 -0.00451 -0.00854 -0.00276 0.00031 120 4XZ 0.00468 0.01417 0.00531 0.00127 0.00698 121 4YZ 0.00621 0.01155 0.00979 0.00381 0.01062 122 16 H 1S 0.00146 -0.00540 0.04187 0.00111 -0.01957 123 2S -0.65928 -0.66068 0.31994 -0.36274 -1.14717 124 17 C 1S 0.03230 -0.05604 -0.00415 0.01471 0.06498 125 2S -0.03660 0.09075 0.02001 -0.01510 -0.09287 126 2PX 0.05836 -0.06287 -0.05483 -0.02269 0.02909 127 2PY -0.01590 0.12477 0.02488 0.03162 -0.01180 128 2PZ 0.13389 0.01327 0.08435 0.07698 0.20256 129 3S -0.63993 0.90719 -0.10908 -0.25951 -1.08741 130 3PX -0.00825 -0.24324 -0.12463 -0.14303 -0.17516 131 3PY 0.04472 0.44199 -0.09552 -0.02115 -0.01223 132 3PZ 0.45967 0.03628 0.16470 0.30109 0.68651 133 4XX 0.00602 -0.00893 -0.00391 0.00027 0.00874 134 4YY 0.00417 0.00895 -0.00007 0.01064 0.01361 135 4ZZ -0.00080 -0.00116 0.00301 -0.00263 -0.00175 136 4XY 0.00239 0.00445 0.00852 -0.00279 0.00028 137 4XZ -0.00450 0.01416 0.00531 -0.00132 -0.00700 138 4YZ 0.00603 -0.01153 -0.00978 0.00387 0.01067 139 18 H 1S -0.00133 -0.00532 0.04191 -0.00123 0.01935 140 2S 0.66041 -0.65924 0.32114 0.36236 1.14885 141 19 O 1S -0.00124 0.05752 -0.00664 -0.01649 -0.01099 142 2S -0.00147 -0.07983 0.00187 0.00474 0.00176 143 2PX 0.01452 -0.12680 -0.05157 -0.04741 -0.02926 144 2PY -0.03368 -0.10929 0.03785 0.04573 -0.01516 145 2PZ 0.05407 0.05947 0.08775 0.00961 0.07333 146 3S 0.04662 -0.76919 0.12891 0.29279 0.22681 147 3PX 0.04317 -0.28563 -0.07358 -0.02544 0.00354 148 3PY -0.00918 -0.23057 0.10382 0.08204 0.04518 149 3PZ 0.07148 0.10969 0.13206 0.04097 0.11057 150 4XX -0.00028 0.01873 0.00121 -0.01402 -0.00845 151 4YY -0.00362 0.01337 -0.00495 -0.00846 -0.00865 152 4ZZ 0.00390 0.02486 -0.00495 -0.00874 0.00013 153 4XY 0.00254 -0.00366 0.00286 0.00136 0.00432 154 4XZ -0.00419 0.00496 -0.00567 0.00709 -0.00277 155 4YZ 0.00051 0.00849 -0.00260 -0.00567 -0.00326 156 20 O 1S 0.00192 0.05758 -0.00664 0.01637 0.01095 157 2S 0.00039 -0.07982 0.00192 -0.00458 -0.00172 158 2PX -0.01588 -0.12680 -0.05163 0.04758 0.02965 159 2PY -0.03256 0.10928 -0.03797 0.04547 -0.01490 160 2PZ -0.05266 0.05963 0.08773 -0.00979 -0.07363 161 3S -0.05478 -0.77027 0.12892 -0.29119 -0.22633 162 3PX -0.04515 -0.28574 -0.07382 0.02583 -0.00269 163 3PY -0.00679 0.23069 -0.10409 0.08153 0.04568 164 3PZ -0.06892 0.10999 0.13185 -0.04129 -0.11113 165 4XX 0.00054 0.01878 0.00123 0.01398 0.00844 166 4YY 0.00375 0.01344 -0.00496 0.00845 0.00864 167 4ZZ -0.00368 0.02487 -0.00495 0.00868 -0.00016 168 4XY 0.00263 0.00366 -0.00284 0.00136 0.00432 169 4XZ 0.00418 0.00495 -0.00569 -0.00708 0.00281 170 4YZ 0.00055 -0.00853 0.00258 -0.00566 -0.00324 171 21 C 1S -0.00035 -0.01528 0.03925 0.00003 -0.00006 172 2S 0.00048 0.02416 -0.06071 -0.00005 0.00006 173 2PX -0.00124 0.32147 -0.16682 -0.00006 -0.00013 174 2PY 0.00269 0.00019 0.00004 0.14837 0.09943 175 2PZ -0.00087 0.03863 -0.04030 0.00028 -0.00008 176 3S 0.00532 -0.02673 -0.49155 -0.00026 0.00100 177 3PX -0.00320 0.87061 -0.49188 -0.00018 -0.00011 178 3PY 0.00451 0.00052 -0.00019 0.27937 0.20304 179 3PZ -0.00217 0.03090 -0.04351 0.00054 -0.00058 180 4XX -0.00008 0.00020 -0.00486 0.00001 0.00001 181 4YY 0.00005 0.00357 0.01187 -0.00002 -0.00002 182 4ZZ -0.00004 -0.00502 -0.00248 0.00001 0.00001 183 4XY 0.00082 -0.00003 0.00000 -0.01056 -0.00499 184 4XZ 0.00004 0.01428 -0.00539 -0.00002 0.00000 185 4YZ -0.00494 0.00002 0.00001 0.00687 -0.00108 186 22 H 1S -0.00047 0.01460 -0.03335 0.00002 0.00001 187 2S -0.00767 1.06637 -0.40302 0.00014 -0.00082 188 23 H 1S -0.00011 -0.02512 -0.00112 0.00002 0.00007 189 2S 0.00099 -0.41312 0.49970 -0.00016 0.00056 56 57 58 59 60 V V V V V Eigenvalues -- 0.19776 0.20300 0.22884 0.23612 0.24271 1 1 C 1S -0.03046 -0.05349 0.01370 -0.01858 0.04417 2 2S 0.04311 0.08636 -0.01753 0.04371 -0.05057 3 2PX -0.01099 -0.00094 -0.00253 -0.02471 0.03692 4 2PY -0.05153 -0.10978 0.09709 0.00606 -0.18653 5 2PZ 0.01420 0.00143 0.07696 0.00914 -0.19048 6 3S 0.45783 0.53108 -0.24901 0.23248 -0.78779 7 3PX -0.11757 -0.07089 -0.00479 -0.38189 0.21833 8 3PY -0.24743 -0.72508 0.46603 -0.09501 -0.92120 9 3PZ 0.08087 -0.08604 0.25078 0.03222 -0.84110 10 4XX -0.00320 0.00113 0.00295 -0.00541 0.00221 11 4YY -0.00206 -0.00462 -0.00278 0.00545 -0.00025 12 4ZZ -0.00167 -0.00894 0.00262 -0.00160 0.00443 13 4XY 0.00207 -0.00610 -0.00353 0.01081 -0.00141 14 4XZ 0.00276 0.00723 -0.00844 0.01201 -0.00164 15 4YZ 0.00097 0.00100 -0.00729 0.00214 0.00506 16 2 H 1S -0.01811 -0.06791 0.00169 0.02127 -0.00978 17 2S -0.47578 -1.08986 0.63297 -0.17434 -0.74519 18 3 C 1S 0.00896 0.05859 -0.01518 -0.01032 0.00711 19 2S -0.03614 -0.13602 0.05893 0.00280 0.00089 20 2PX 0.01198 -0.02090 -0.00014 0.04942 -0.06896 21 2PY 0.01272 0.01841 -0.02960 0.05817 0.09789 22 2PZ 0.02809 0.07638 0.02532 0.02033 0.09196 23 3S -0.05619 -0.42256 0.21120 0.49104 -0.42400 24 3PX -0.04377 -0.39519 0.02972 0.02954 -0.24456 25 3PY 0.08859 0.33888 -0.20606 0.27392 0.33845 26 3PZ 0.05988 0.60435 -0.09286 0.10370 0.42596 27 4XX 0.00058 -0.00134 0.00294 0.00343 -0.00452 28 4YY -0.00388 0.01274 0.00463 -0.00660 0.01302 29 4ZZ 0.00042 -0.00282 -0.00172 0.00598 -0.00901 30 4XY 0.00419 0.00325 -0.00699 -0.00142 0.00905 31 4XZ 0.00140 0.00016 -0.00313 -0.00585 0.01243 32 4YZ -0.00224 -0.00690 0.00327 -0.00124 0.00233 33 4 H 1S -0.00962 0.01866 0.01223 0.02145 -0.03811 34 2S 0.17183 1.03823 -0.22628 0.06291 0.72572 35 5 C 1S 0.00902 -0.05859 -0.01509 0.01036 0.00709 36 2S -0.03625 0.13599 0.05885 -0.00304 0.00080 37 2PX 0.01189 0.02099 -0.00033 -0.04995 -0.06841 38 2PY -0.01278 0.01857 0.02975 0.05769 -0.09832 39 2PZ 0.02817 -0.07634 0.02528 -0.01986 0.09143 40 3S -0.05659 0.42293 0.20864 -0.49256 -0.42207 41 3PX -0.04442 0.39510 0.02977 -0.03126 -0.24320 42 3PY -0.08912 0.34035 0.20691 0.27226 -0.33961 43 3PZ 0.06059 -0.60378 -0.09277 -0.10047 0.42451 44 4XX 0.00060 0.00135 0.00293 -0.00347 -0.00450 45 4YY -0.00387 -0.01272 0.00469 0.00662 0.01298 46 4ZZ 0.00042 0.00279 -0.00176 -0.00603 -0.00897 47 4XY -0.00419 0.00327 0.00698 -0.00149 -0.00908 48 4XZ 0.00137 -0.00015 -0.00310 0.00592 0.01241 49 4YZ 0.00224 -0.00692 -0.00326 -0.00122 -0.00230 50 6 H 1S -0.00955 -0.01868 0.01220 -0.02162 -0.03804 51 2S 0.17327 -1.03857 -0.22608 -0.05870 0.72396 52 7 C 1S -0.03050 0.05349 0.01370 0.01878 0.04414 53 2S 0.04323 -0.08632 -0.01767 -0.04384 -0.05047 54 2PX -0.01099 0.00093 -0.00247 0.02465 0.03676 55 2PY 0.05150 -0.10991 -0.09712 0.00710 0.18709 56 2PZ 0.01424 -0.00167 0.07662 -0.01005 -0.19019 57 3S 0.45775 -0.53133 -0.24830 -0.23655 -0.78692 58 3PX -0.11793 0.07131 -0.00328 0.38235 0.21619 59 3PY 0.24787 -0.72533 -0.46682 -0.08895 0.92407 60 3PZ 0.08149 0.08475 0.24949 -0.03649 -0.84018 61 4XX -0.00320 -0.00112 0.00295 0.00542 0.00219 62 4YY -0.00204 0.00460 -0.00281 -0.00545 -0.00019 63 4ZZ -0.00169 0.00895 0.00263 0.00163 0.00440 64 4XY -0.00205 -0.00611 0.00357 0.01082 0.00140 65 4XZ 0.00275 -0.00723 -0.00846 -0.01198 -0.00155 66 4YZ -0.00098 0.00098 0.00726 0.00209 -0.00516 67 8 H 1S -0.01805 0.06788 0.00166 -0.02134 -0.00957 68 2S -0.47618 1.09004 0.63284 0.16935 -0.74630 69 9 C 1S 0.01301 -0.06056 -0.03029 -0.01386 -0.06151 70 2S -0.02077 0.09495 0.05561 0.02944 0.05129 71 2PX 0.03117 0.01287 -0.10622 -0.29932 -0.01768 72 2PY -0.00841 0.00086 0.06477 0.01542 0.07030 73 2PZ 0.03355 0.03292 0.07405 -0.13091 -0.09943 74 3S -0.24219 0.66942 0.47624 0.12322 1.28507 75 3PX 0.06004 -0.05695 -0.48559 -1.18820 0.09265 76 3PY -0.14261 0.13778 0.19295 0.13352 0.32863 77 3PZ 0.06352 0.24756 0.33148 -0.49919 -0.81896 78 4XX 0.00236 -0.00183 -0.01519 0.00182 0.01036 79 4YY -0.00335 -0.01050 0.00252 -0.00078 0.00184 80 4ZZ 0.00078 -0.00519 0.00883 -0.00329 -0.02399 81 4XY 0.00133 -0.00160 0.01771 -0.00763 0.00049 82 4XZ -0.00080 0.00284 0.00782 0.00146 0.01384 83 4YZ -0.00611 0.00323 -0.00289 -0.00409 0.01220 84 10 H 1S -0.00470 -0.01119 0.03978 0.02679 0.06578 85 2S -0.02481 -0.52581 -0.10206 1.20408 0.08203 86 11 H 1S -0.00009 -0.02509 -0.12087 -0.03201 0.02540 87 2S 0.16794 -0.45016 -1.03185 -1.22545 -0.28469 88 12 C 1S 0.01306 0.06055 -0.03023 0.01369 -0.06137 89 2S -0.02083 -0.09495 0.05553 -0.02946 0.05118 90 2PX 0.03120 -0.01281 -0.10541 0.29936 -0.01903 91 2PY 0.00823 0.00093 -0.06501 0.01525 -0.07132 92 2PZ 0.03355 -0.03291 0.07403 0.13076 -0.09951 93 3S -0.24333 -0.66925 0.47544 -0.11932 1.28262 94 3PX 0.06009 0.05739 -0.48254 1.18965 0.08829 95 3PY 0.14173 0.13816 -0.19369 0.13260 -0.33266 96 3PZ 0.06373 -0.24721 0.33164 0.49580 -0.81914 97 4XX 0.00236 0.00182 -0.01519 -0.00171 0.01028 98 4YY -0.00335 0.01049 0.00251 0.00077 0.00196 99 4ZZ 0.00079 0.00520 0.00885 0.00314 -0.02403 100 4XY -0.00133 -0.00160 -0.01775 -0.00758 -0.00048 101 4XZ -0.00082 -0.00284 0.00775 -0.00143 0.01388 102 4YZ 0.00610 0.00323 0.00287 -0.00411 -0.01215 103 13 H 1S -0.00005 0.02508 -0.12077 0.03246 0.02497 104 2S 0.16837 0.45034 -1.02822 1.22731 -0.29242 105 14 H 1S -0.00476 0.01118 0.03961 -0.02664 0.06581 106 2S -0.02483 0.52548 -0.10541 -1.20332 0.08529 107 15 C 1S 0.04185 0.03038 -0.00030 0.00392 -0.01075 108 2S -0.08476 -0.07268 -0.02236 -0.00830 0.01297 109 2PX 0.05177 0.00300 0.02258 0.02248 0.00376 110 2PY 0.12669 0.03618 0.00701 0.02651 -0.02180 111 2PZ -0.00503 0.08503 -0.00851 -0.03455 -0.02687 112 3S -0.54040 -0.21776 0.07224 0.01612 0.18106 113 3PX 0.08818 -0.10888 -0.04724 -0.00870 0.02829 114 3PY 0.20037 0.38230 -0.05298 0.08054 -0.06329 115 3PZ -0.03309 0.37464 0.00279 -0.06898 -0.00052 116 4XX 0.00133 0.00559 -0.00472 0.00672 -0.00383 117 4YY 0.00336 0.00685 0.00173 -0.00171 0.00112 118 4ZZ 0.00171 -0.00098 0.00021 -0.00121 0.00002 119 4XY 0.01155 -0.00104 0.00282 -0.00373 -0.00424 120 4XZ 0.00066 -0.00173 0.00251 -0.00327 -0.00117 121 4YZ -0.01108 -0.00489 -0.00438 0.00102 -0.00161 122 16 H 1S -0.03840 0.01579 -0.00972 0.00110 0.00211 123 2S 0.39875 0.72281 -0.02327 -0.03288 -0.19378 124 17 C 1S 0.04172 -0.03036 -0.00037 -0.00399 -0.01075 125 2S -0.08452 0.07265 -0.02225 0.00836 0.01291 126 2PX 0.05166 -0.00319 0.02238 -0.02250 0.00388 127 2PY -0.12662 0.03613 -0.00686 0.02662 0.02174 128 2PZ -0.00547 -0.08509 -0.00856 0.03437 -0.02716 129 3S -0.53828 0.21760 0.07321 -0.01488 0.18170 130 3PX 0.08834 0.10852 -0.04763 0.00948 0.02882 131 3PY -0.20082 0.38308 0.05319 0.08079 0.06286 132 3PZ -0.03379 -0.37398 0.00280 0.06893 -0.00141 133 4XX 0.00132 -0.00559 -0.00475 -0.00671 -0.00379 134 4YY 0.00333 -0.00681 0.00172 0.00168 0.00109 135 4ZZ 0.00174 0.00095 0.00023 0.00122 0.00003 136 4XY -0.01155 -0.00105 -0.00284 -0.00372 0.00427 137 4XZ 0.00064 0.00171 0.00252 0.00324 -0.00118 138 4YZ 0.01107 -0.00491 0.00438 0.00104 0.00160 139 18 H 1S -0.03844 -0.01574 -0.00971 -0.00107 0.00207 140 2S 0.39747 -0.72258 -0.02387 0.03137 -0.19487 141 19 O 1S 0.03749 0.00430 0.01618 -0.00886 0.00528 142 2S -0.03951 0.00493 -0.01842 0.01048 -0.01020 143 2PX 0.15562 0.01291 0.08250 -0.02245 0.00956 144 2PY -0.22861 0.01105 -0.09697 0.05055 -0.03000 145 2PZ -0.14145 -0.05271 0.06608 -0.01953 0.02159 146 3S -0.57349 -0.12548 -0.25927 0.10903 -0.07854 147 3PX 0.29280 0.01057 0.10263 -0.00082 0.00975 148 3PY -0.48950 -0.05529 -0.16644 0.03427 -0.03127 149 3PZ -0.27085 -0.08393 0.09295 0.00122 0.04697 150 4XX 0.01430 0.00335 0.00694 -0.01040 0.00304 151 4YY 0.01411 0.00252 0.01072 -0.00271 0.00063 152 4ZZ 0.01611 0.00484 -0.00058 -0.00184 -0.00039 153 4XY -0.00570 -0.00009 -0.00764 0.00084 -0.00252 154 4XZ 0.01376 0.00552 0.00622 0.00775 0.00277 155 4YZ 0.00572 -0.00204 0.00121 -0.00676 -0.00215 156 20 O 1S 0.03757 -0.00430 0.01624 0.00881 0.00522 157 2S -0.03960 -0.00495 -0.01850 -0.01044 -0.01015 158 2PX 0.15563 -0.01289 0.08245 0.02221 0.00939 159 2PY 0.22909 0.01096 0.09701 0.05022 0.02969 160 2PZ -0.14094 0.05270 0.06642 0.01943 0.02142 161 3S -0.57468 0.12537 -0.26002 -0.10827 -0.07772 162 3PX 0.29287 -0.01056 0.10248 0.00057 0.00990 163 3PY 0.49051 -0.05535 0.16649 0.03369 0.03097 164 3PZ -0.26995 0.08386 0.09345 -0.00130 0.04686 165 4XX 0.01434 -0.00337 0.00697 0.01038 0.00297 166 4YY 0.01414 -0.00249 0.01074 0.00268 0.00059 167 4ZZ 0.01615 -0.00486 -0.00056 0.00181 -0.00038 168 4XY 0.00566 -0.00007 0.00763 0.00085 0.00249 169 4XZ 0.01376 -0.00552 0.00622 -0.00774 0.00283 170 4YZ -0.00570 -0.00203 -0.00120 -0.00674 0.00221 171 21 C 1S -0.13286 0.00000 0.00656 0.00003 0.01032 172 2S 0.21012 0.00002 0.02144 -0.00018 -0.03314 173 2PX 0.15672 0.00005 0.02963 -0.00026 -0.03792 174 2PY 0.00023 0.00204 0.00046 0.12166 -0.00031 175 2PZ -0.15328 -0.00004 -0.33552 0.00029 -0.14417 176 3S 1.81176 -0.00014 -0.42547 0.00007 -0.21260 177 3PX 0.64740 0.00005 -0.08703 -0.00022 -0.07311 178 3PY 0.00134 -0.15177 0.00110 0.09334 0.00027 179 3PZ -0.60675 -0.00014 -0.96117 0.00070 -0.35091 180 4XX 0.01716 0.00000 -0.00422 0.00000 -0.00519 181 4YY -0.03106 -0.00001 -0.00886 -0.00001 -0.00536 182 4ZZ 0.00856 0.00001 0.02076 -0.00001 0.00602 183 4XY -0.00003 -0.00317 -0.00002 -0.01284 0.00004 184 4XZ 0.02413 0.00000 0.00910 -0.00002 0.00452 185 4YZ -0.00002 0.00102 -0.00002 0.00586 -0.00003 186 22 H 1S 0.05443 0.00000 -0.02907 0.00001 -0.01532 187 2S -0.30209 0.00011 -0.22102 -0.00015 -0.13134 188 23 H 1S 0.02870 0.00002 0.11747 -0.00008 0.04420 189 2S -0.41118 0.00005 1.47412 -0.00064 0.62322 61 62 63 64 65 V V V V V Eigenvalues -- 0.24912 0.30439 0.31363 0.32662 0.37013 1 1 C 1S -0.00495 0.05463 0.04988 0.01174 -0.00114 2 2S -0.01918 -0.06390 -0.05072 -0.01445 -0.03160 3 2PX 0.03130 -0.03918 -0.16619 -0.08567 0.01374 4 2PY -0.04707 -0.04811 -0.13047 0.02991 -0.00215 5 2PZ 0.02964 -0.15522 0.17485 -0.02996 0.00057 6 3S 0.41472 -1.37572 -1.44057 -0.19945 0.12333 7 3PX 0.26668 -0.06260 -1.06836 0.07427 -0.13188 8 3PY -0.13693 -0.13898 -0.86070 0.07588 0.14640 9 3PZ -0.14177 -0.67734 1.01261 -0.11137 0.14534 10 4XX -0.00286 0.00931 0.01012 -0.00492 0.00618 11 4YY 0.00714 -0.02216 -0.00258 0.00405 -0.00165 12 4ZZ -0.00571 0.01852 -0.00226 0.00471 -0.00845 13 4XY -0.01181 -0.01090 0.01299 -0.00593 -0.00773 14 4XZ 0.00618 -0.01092 -0.00233 0.00061 -0.00585 15 4YZ 0.02000 0.01495 -0.01318 -0.00462 -0.00686 16 2 H 1S 0.04854 -0.09263 -0.02670 0.01847 0.00895 17 2S -0.14794 0.07423 -0.43558 0.18433 0.11039 18 3 C 1S 0.00772 0.04914 -0.06116 -0.00214 -0.00129 19 2S -0.01976 -0.05110 0.03526 -0.00799 0.02193 20 2PX 0.06478 0.02936 -0.10759 0.06953 -0.02047 21 2PY -0.01767 -0.19978 -0.04472 0.03374 -0.03090 22 2PZ -0.15600 0.04038 0.10438 0.05956 0.00494 23 3S -0.14091 -1.39661 1.97720 -0.08644 -0.13736 24 3PX 0.35979 -0.00157 -0.90133 0.13503 -0.04307 25 3PY -0.17582 -1.37895 -0.73237 -0.09732 -0.22965 26 3PZ -0.57624 0.29784 0.78918 -0.00181 -0.03222 27 4XX -0.00609 -0.00239 -0.01760 0.01094 -0.00255 28 4YY 0.00105 0.02473 0.00733 -0.01045 0.00335 29 4ZZ 0.00480 -0.01759 -0.00114 -0.00623 0.00020 30 4XY -0.00239 0.00349 -0.02272 -0.00376 -0.00019 31 4XZ 0.00236 0.01440 0.01143 0.00792 -0.00111 32 4YZ 0.00641 0.00076 0.02429 -0.00024 -0.00158 33 4 H 1S -0.00080 -0.06442 0.08429 -0.04240 0.00080 34 2S -0.70052 -0.13154 0.19467 -0.06265 -0.05963 35 5 C 1S -0.00767 -0.04923 -0.06115 0.00237 0.00126 36 2S 0.01973 0.05131 0.03525 0.00783 -0.02231 37 2PX -0.06484 -0.02938 -0.10823 -0.06913 0.02072 38 2PY -0.01836 -0.19976 0.04504 0.03374 -0.03079 39 2PZ 0.15630 -0.04041 0.10441 -0.05984 -0.00492 40 3S 0.13872 1.39878 1.97759 0.07852 0.13907 41 3PX -0.36009 0.00144 -0.90516 -0.13137 0.04277 42 3PY -0.17840 -1.37779 0.73177 -0.10053 -0.22912 43 3PZ 0.57722 -0.29865 0.79126 -0.00174 0.03196 44 4XX 0.00611 0.00236 -0.01769 -0.01088 0.00251 45 4YY -0.00103 -0.02467 0.00751 0.01039 -0.00341 46 4ZZ -0.00485 0.01757 -0.00119 0.00624 -0.00018 47 4XY -0.00242 0.00357 0.02265 -0.00387 -0.00020 48 4XZ -0.00232 -0.01440 0.01147 -0.00798 0.00116 49 4YZ 0.00641 0.00066 -0.02427 -0.00014 -0.00159 50 6 H 1S 0.00060 0.06451 0.08432 0.04205 -0.00091 51 2S 0.70287 0.13236 0.19553 0.06175 0.05936 52 7 C 1S 0.00509 -0.05452 0.04998 -0.01193 0.00111 53 2S 0.01901 0.06373 -0.05069 0.01471 0.03166 54 2PX -0.03115 0.03941 -0.16613 0.08634 -0.01371 55 2PY -0.04656 -0.04801 0.13018 0.02939 -0.00227 56 2PZ -0.03051 0.15534 0.17524 0.02945 0.00005 57 3S -0.41741 1.37299 -1.44381 0.20539 -0.12348 58 3PX -0.26571 0.06203 -1.07129 -0.06984 0.13126 59 3PY -0.13494 -0.13827 0.85909 0.07199 0.14673 60 3PZ 0.13763 0.67847 1.01444 0.10750 -0.14351 61 4XX 0.00288 -0.00926 0.01017 0.00493 -0.00617 62 4YY -0.00723 0.02209 -0.00268 -0.00404 0.00160 63 4ZZ 0.00579 -0.01850 -0.00219 -0.00470 0.00849 64 4XY -0.01177 -0.01095 -0.01300 -0.00593 -0.00780 65 4XZ -0.00620 0.01085 -0.00239 -0.00062 0.00589 66 4YZ 0.01993 0.01507 0.01317 -0.00470 -0.00690 67 8 H 1S -0.04860 0.09266 -0.02695 -0.01839 -0.00929 68 2S 0.14600 -0.07516 -0.43604 -0.18281 -0.11054 69 9 C 1S 0.04235 0.02515 0.01175 0.00098 -0.00751 70 2S -0.04852 -0.02434 -0.00769 -0.00881 -0.00489 71 2PX -0.03240 -0.14613 -0.02890 0.00398 -0.01017 72 2PY 0.32597 -0.14238 -0.07105 -0.06973 -0.01888 73 2PZ 0.12562 0.20171 0.02878 0.00667 -0.05855 74 3S -0.69287 -0.42752 -0.49245 -0.01302 0.20395 75 3PX -0.14520 -0.58925 0.15365 0.00207 -0.00997 76 3PY 1.37331 -0.47807 -0.29472 -0.28755 -0.14411 77 3PZ 0.45291 0.90051 0.04783 0.03150 -0.24714 78 4XX -0.01492 0.00163 -0.00572 0.00481 -0.00055 79 4YY 0.02627 -0.00809 0.01243 -0.00500 -0.00125 80 4ZZ -0.00599 0.01033 -0.00595 -0.00216 -0.00273 81 4XY -0.00266 -0.00241 -0.00664 -0.00050 -0.00133 82 4XZ 0.00096 -0.01341 0.00629 -0.00211 -0.01225 83 4YZ 0.00515 0.00508 -0.02346 -0.00165 -0.00202 84 10 H 1S -0.03633 -0.01804 -0.04189 0.00555 -0.02157 85 2S -0.53284 0.09880 0.07630 0.09647 0.19847 86 11 H 1S -0.05911 0.00901 -0.03399 0.01528 0.03026 87 2S -0.65960 -0.47088 0.15258 0.11632 0.11282 88 12 C 1S -0.04259 -0.02516 0.01175 -0.00100 0.00756 89 2S 0.04871 0.02442 -0.00758 0.00886 0.00492 90 2PX 0.03234 0.14637 -0.02940 -0.00392 0.00980 91 2PY 0.32586 -0.14186 0.07100 -0.07002 -0.01892 92 2PZ -0.12539 -0.20188 0.02887 -0.00710 0.05840 93 3S 0.69823 0.42711 -0.49289 0.01441 -0.20553 94 3PX 0.14539 0.59026 0.15132 -0.00256 0.00947 95 3PY 1.37255 -0.47596 0.29475 -0.28845 -0.14388 96 3PZ -0.45354 -0.90145 0.04881 -0.03209 0.24779 97 4XX 0.01496 -0.00165 -0.00573 -0.00478 0.00053 98 4YY -0.02629 0.00811 0.01237 0.00495 0.00126 99 4ZZ 0.00593 -0.01032 -0.00587 0.00219 0.00276 100 4XY -0.00262 -0.00239 0.00661 -0.00052 -0.00138 101 4XZ -0.00090 0.01346 0.00625 0.00205 0.01216 102 4YZ 0.00503 0.00516 0.02349 -0.00173 -0.00195 103 13 H 1S 0.05928 -0.00897 -0.03389 -0.01507 -0.03028 104 2S 0.65841 0.47098 0.15088 -0.11671 -0.11310 105 14 H 1S 0.03656 0.01795 -0.04199 -0.00544 0.02131 106 2S 0.53288 -0.09813 0.07744 -0.09633 -0.19793 107 15 C 1S -0.00706 -0.00782 -0.00110 -0.02273 -0.11317 108 2S -0.00517 0.00673 -0.00363 -0.00727 0.12508 109 2PX 0.02771 -0.03843 0.00322 0.12815 -0.15946 110 2PY 0.04315 -0.00903 0.00561 0.24095 0.14935 111 2PZ 0.00626 -0.05658 0.01920 -0.08448 0.22740 112 3S 0.28459 0.09025 -0.01906 1.25353 2.60203 113 3PX 0.05062 -0.02090 0.03915 0.70836 -1.07747 114 3PY 0.29430 -0.17679 0.02365 1.79355 1.76865 115 3PZ 0.02173 -0.08874 -0.02258 -0.29320 0.98523 116 4XX 0.00158 0.00079 -0.00317 0.00392 0.00539 117 4YY -0.00600 -0.00275 0.00026 -0.02510 -0.02339 118 4ZZ 0.00244 -0.00102 0.00005 0.00402 0.01361 119 4XY -0.00177 -0.00141 -0.00388 -0.00481 -0.00231 120 4XZ -0.00086 0.00204 -0.00062 -0.01353 0.01115 121 4YZ 0.00087 0.00265 -0.00371 -0.00095 -0.00427 122 16 H 1S 0.00770 -0.01325 -0.01273 0.02449 -0.06667 123 2S 0.09411 -0.28184 0.02752 0.34209 0.96233 124 17 C 1S 0.00707 0.00781 -0.00106 0.02274 0.11314 125 2S 0.00509 -0.00683 -0.00353 0.00765 -0.12506 126 2PX -0.02774 0.03874 0.00272 -0.12827 0.15933 127 2PY 0.04315 -0.00897 -0.00478 0.24075 0.14958 128 2PZ -0.00634 0.05663 0.01940 0.08494 -0.22683 129 3S -0.28471 -0.09008 -0.02254 -1.25511 -2.60159 130 3PX -0.05045 0.02108 0.03677 -0.70749 1.07776 131 3PY 0.29424 -0.17709 -0.01784 1.79251 1.77103 132 3PZ -0.02128 0.08837 -0.02208 0.29671 -0.98069 133 4XX -0.00157 -0.00081 -0.00320 -0.00393 -0.00535 134 4YY 0.00599 0.00270 0.00034 0.02514 0.02345 135 4ZZ -0.00244 0.00106 0.00006 -0.00403 -0.01372 136 4XY -0.00176 -0.00146 0.00387 -0.00484 -0.00223 137 4XZ 0.00086 -0.00204 -0.00055 0.01349 -0.01116 138 4YZ 0.00092 0.00267 0.00372 -0.00090 -0.00420 139 18 H 1S -0.00776 0.01324 -0.01283 -0.02440 0.06612 140 2S -0.09438 0.28194 0.02587 -0.34179 -0.96053 141 19 O 1S -0.00212 0.00067 -0.00134 -0.01841 0.04214 142 2S 0.00232 -0.01330 -0.02264 0.05337 -0.03830 143 2PX -0.01725 -0.03936 -0.03639 0.18591 -0.17941 144 2PY 0.00797 0.02605 0.03306 -0.08113 -0.01798 145 2PZ -0.03256 0.00829 -0.01311 -0.15790 0.16694 146 3S 0.00727 0.01950 0.09581 0.17102 -0.92217 147 3PX 0.01104 -0.04501 -0.00171 0.44745 -0.39741 148 3PY -0.01793 0.03113 0.03053 -0.21275 -0.29241 149 3PZ -0.04117 0.04904 -0.00753 -0.41085 0.27625 150 4XX -0.00245 -0.00765 -0.00357 0.00468 0.02427 151 4YY -0.00397 -0.00386 -0.00884 -0.00898 -0.00073 152 4ZZ 0.00187 0.00046 -0.01005 0.00488 0.01829 153 4XY 0.00585 -0.00005 -0.00145 0.02045 0.02167 154 4XZ 0.00773 0.00506 0.00140 -0.00121 0.01206 155 4YZ -0.00538 -0.00457 -0.00269 -0.01791 -0.01723 156 20 O 1S 0.00213 -0.00068 -0.00128 0.01838 -0.04208 157 2S -0.00236 0.01329 -0.02295 -0.05334 0.03807 158 2PX 0.01733 0.03932 -0.03733 -0.18586 0.17942 159 2PY 0.00798 0.02591 -0.03347 -0.08117 -0.01747 160 2PZ 0.03257 -0.00830 -0.01259 0.15762 -0.16670 161 3S -0.00729 -0.01931 0.09570 -0.17011 0.92144 162 3PX -0.01083 0.04507 -0.00340 -0.44726 0.39736 163 3PY -0.01785 0.03114 -0.03137 -0.21354 -0.29133 164 3PZ 0.04114 -0.04897 -0.00601 0.40984 -0.27654 165 4XX 0.00244 0.00766 -0.00361 -0.00469 -0.02432 166 4YY 0.00397 0.00385 -0.00886 0.00906 0.00081 167 4ZZ -0.00189 -0.00049 -0.01011 -0.00496 -0.01838 168 4XY 0.00588 -0.00002 0.00153 0.02045 0.02168 169 4XZ -0.00769 -0.00503 0.00144 0.00121 -0.01203 170 4YZ -0.00535 -0.00456 0.00265 -0.01788 -0.01716 171 21 C 1S 0.00002 0.00002 0.00678 -0.00003 -0.00001 172 2S -0.00008 -0.00007 -0.02250 0.00012 0.00003 173 2PX -0.00007 -0.00003 0.00887 0.00010 0.00010 174 2PY 0.09120 0.07177 -0.00027 -0.03513 0.31615 175 2PZ -0.00017 0.00004 0.02877 -0.00012 0.00040 176 3S -0.00033 -0.00021 -0.05186 0.00016 0.00009 177 3PX -0.00010 -0.00019 -0.03587 0.00042 -0.00010 178 3PY -0.07855 0.09371 -0.00197 -0.95936 -0.10069 179 3PZ -0.00075 0.00000 0.05972 -0.00084 -0.00005 180 4XX -0.00001 -0.00001 -0.00469 0.00000 -0.00001 181 4YY -0.00002 -0.00001 0.00334 0.00000 -0.00003 182 4ZZ 0.00002 0.00002 0.00190 -0.00002 0.00005 183 4XY -0.00725 -0.00631 0.00002 0.00644 -0.01099 184 4XZ 0.00000 -0.00001 -0.00288 0.00002 -0.00002 185 4YZ 0.00157 0.00332 -0.00004 -0.00985 0.01509 186 22 H 1S -0.00003 -0.00004 -0.01419 0.00005 -0.00008 187 2S -0.00020 -0.00005 0.04276 0.00018 0.00002 188 23 H 1S 0.00011 0.00005 0.00720 0.00002 0.00004 189 2S 0.00116 0.00027 -0.06133 -0.00018 -0.00022 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50829 1 1 C 1S -0.08007 0.00703 -0.04120 0.00014 0.00068 2 2S 0.05695 -0.09484 -0.01136 -0.02363 0.13281 3 2PX -0.11043 0.04993 0.05369 -0.24894 0.09738 4 2PY 0.12935 -0.06114 0.06022 0.00787 0.00627 5 2PZ 0.14509 -0.02294 -0.19038 0.19355 -0.07365 6 3S 2.35139 0.01608 2.13871 -0.14899 0.00378 7 3PX 0.28294 -0.03406 1.64543 0.47822 -0.06065 8 3PY 1.87569 0.04485 0.92188 0.00790 0.10230 9 3PZ 0.57314 0.18935 -1.79688 -0.34880 0.17838 10 4XX -0.00037 -0.00239 -0.02191 -0.01139 0.00870 11 4YY -0.00206 0.01230 0.00819 0.00905 0.00647 12 4ZZ 0.00848 -0.02258 0.01418 0.01049 0.00574 13 4XY -0.01693 -0.01246 -0.00690 -0.02817 0.01022 14 4XZ -0.01032 0.00889 0.01361 0.01359 -0.02765 15 4YZ 0.00524 -0.01329 0.01288 0.02803 -0.00008 16 2 H 1S -0.08384 0.07537 0.03334 0.01000 0.02084 17 2S 0.74126 0.00170 0.21738 0.02523 0.07763 18 3 C 1S 0.09297 -0.00185 0.03360 0.00378 0.00423 19 2S -0.03045 -0.05818 -0.01604 -0.06471 0.33224 20 2PX 0.04083 0.09903 0.16318 0.12693 -0.08397 21 2PY -0.15081 -0.04914 0.22086 0.24826 0.03549 22 2PZ -0.11632 0.12572 -0.11110 -0.13638 0.06461 23 3S -3.56238 0.18406 -1.45328 0.00012 -0.36828 24 3PX 1.02387 -0.07736 1.81175 -0.14050 0.06449 25 3PY -2.25441 -0.02953 1.71281 -0.36822 -0.01960 26 3PZ -1.26461 -0.12339 -1.45053 0.15537 -0.07929 27 4XX -0.00256 0.00700 0.01392 -0.01025 0.00994 28 4YY 0.00678 -0.00891 -0.02035 0.02335 0.04658 29 4ZZ -0.00737 -0.00206 -0.00204 -0.01745 0.01517 30 4XY -0.00891 -0.00699 -0.00308 -0.01911 0.00377 31 4XZ 0.00498 0.00170 -0.00256 0.01940 -0.03192 32 4YZ 0.00827 0.00594 0.00452 0.01980 -0.00081 33 4 H 1S 0.04077 0.00367 0.03592 0.01152 0.07754 34 2S -1.03648 -0.08051 -0.42417 -0.04207 0.04266 35 5 C 1S -0.09297 -0.00216 -0.03354 0.00379 0.00423 36 2S 0.03008 -0.05785 0.01656 -0.06468 0.33220 37 2PX -0.04078 0.09764 -0.16417 0.12704 -0.08385 38 2PY -0.15069 0.05032 0.22066 -0.24757 -0.03578 39 2PZ 0.11584 0.12657 0.11075 -0.13670 0.06454 40 3S 3.56255 0.19747 1.44780 0.00120 -0.36927 41 3PX -1.02201 -0.08953 -1.81194 -0.14267 0.06568 42 3PY -2.25785 0.03670 1.70604 0.36984 0.01796 43 3PZ 1.26080 -0.11261 1.45178 0.15686 -0.08013 44 4XX 0.00254 0.00693 -0.01399 -0.01033 0.00996 45 4YY -0.00694 -0.00871 0.02035 0.02348 0.04657 46 4ZZ 0.00747 -0.00206 0.00217 -0.01748 0.01513 47 4XY -0.00894 0.00694 -0.00324 0.01905 -0.00378 48 4XZ -0.00498 0.00169 0.00246 0.01944 -0.03192 49 4YZ 0.00821 -0.00590 0.00469 -0.01970 0.00085 50 6 H 1S -0.04079 0.00353 -0.03623 0.01161 0.07757 51 2S 1.03632 -0.07622 0.42469 -0.04190 0.04274 52 7 C 1S 0.08006 0.00741 0.04112 0.00014 0.00066 53 2S -0.05664 -0.09499 0.01214 -0.02333 0.13235 54 2PX 0.11002 0.04980 -0.05343 -0.24890 0.09756 55 2PY 0.12919 0.06194 0.05922 -0.00838 -0.00575 56 2PZ -0.14466 -0.02261 0.19039 0.19381 -0.07412 57 3S -2.35122 0.00033 -2.13605 -0.15077 0.00546 58 3PX -0.28581 -0.04494 -1.64572 0.47680 -0.05903 59 3PY 1.87571 -0.03717 0.91636 -0.00633 -0.10365 60 3PZ -0.57009 0.19985 1.79465 -0.34602 0.17662 61 4XX 0.00042 -0.00229 0.02201 -0.01144 0.00872 62 4YY 0.00197 0.01229 -0.00831 0.00923 0.00638 63 4ZZ -0.00837 -0.02269 -0.01407 0.01039 0.00565 64 4XY -0.01705 0.01241 -0.00697 0.02811 -0.01020 65 4XZ 0.01028 0.00880 -0.01377 0.01366 -0.02768 66 4YZ 0.00522 0.01344 0.01275 -0.02800 0.00003 67 8 H 1S 0.08362 0.07562 -0.03361 0.01004 0.02077 68 2S -0.74012 -0.00086 -0.21685 0.02503 0.07772 69 9 C 1S -0.05780 -0.00528 -0.00860 -0.00042 -0.00110 70 2S -0.02157 -0.06891 0.00028 -0.06015 -0.00092 71 2PX -0.01475 0.16217 -0.01089 0.07795 0.21390 72 2PY 0.02817 0.05232 -0.18930 0.29512 0.02121 73 2PZ -0.08599 0.16487 0.15310 -0.03990 0.00807 74 3S 1.82611 0.05367 0.03602 0.21127 -0.08735 75 3PX 0.50835 -0.23888 0.06596 -0.13927 -0.28018 76 3PY -0.40484 -0.05417 -1.14329 -0.30742 -0.05869 77 3PZ -1.62428 -0.14284 0.39984 0.03694 0.01635 78 4XX 0.01911 -0.00215 -0.00419 0.01281 -0.00772 79 4YY 0.00212 -0.01660 -0.00720 -0.06118 -0.00623 80 4ZZ -0.02746 -0.00827 0.01038 0.03539 0.00306 81 4XY -0.00207 0.02133 -0.00262 0.01228 0.02776 82 4XZ 0.01020 0.02777 0.02001 -0.00814 0.04337 83 4YZ -0.00175 0.01507 -0.00799 -0.01233 0.00196 84 10 H 1S 0.05915 0.14020 0.06580 0.02993 0.17017 85 2S 0.28296 -0.06705 -0.03715 -0.04897 -0.06079 86 11 H 1S 0.05307 -0.08413 -0.07698 0.02341 -0.14639 87 2S 0.17267 -0.08831 0.11376 -0.07993 -0.02132 88 12 C 1S 0.05783 -0.00512 0.00860 -0.00042 -0.00109 89 2S 0.02159 -0.06917 0.00011 -0.06017 -0.00084 90 2PX 0.01405 0.16201 0.00975 0.07811 0.21369 91 2PY 0.02777 -0.05389 -0.18905 -0.29548 -0.02121 92 2PZ 0.08575 0.16421 -0.15414 -0.04084 0.00817 93 3S -1.82692 0.05190 -0.03486 0.21194 -0.08717 94 3PX -0.50944 -0.24029 -0.06287 -0.13899 -0.28033 95 3PY -0.40727 0.04704 -1.14342 0.30583 0.05984 96 3PZ 1.62442 -0.14310 -0.40135 0.03654 0.01725 97 4XX -0.01903 -0.00224 0.00430 0.01282 -0.00779 98 4YY -0.00218 -0.01650 0.00722 -0.06120 -0.00621 99 4ZZ 0.02746 -0.00826 -0.01038 0.03539 0.00315 100 4XY -0.00209 -0.02139 -0.00232 -0.01223 -0.02784 101 4XZ -0.01037 0.02755 -0.02013 -0.00821 0.04324 102 4YZ -0.00174 -0.01511 -0.00789 0.01213 -0.00195 103 13 H 1S -0.05307 -0.08385 0.07787 0.02349 -0.14641 104 2S -0.17322 -0.08968 -0.11361 -0.07991 -0.02179 105 14 H 1S -0.05932 0.13957 -0.06654 0.02987 0.16994 106 2S -0.28276 -0.06697 0.03741 -0.04885 -0.06066 107 15 C 1S 0.00851 -0.00403 -0.00858 -0.00100 0.02781 108 2S 0.00017 -0.21666 0.06424 0.08121 0.01582 109 2PX 0.01213 -0.05439 -0.10206 -0.19449 0.16373 110 2PY -0.01514 -0.31633 -0.06874 -0.02020 0.20543 111 2PZ 0.02126 0.10382 0.11284 -0.10977 -0.29607 112 3S -0.24240 0.06119 -0.06738 -0.02939 -0.07321 113 3PX -0.05984 0.04814 -0.10845 0.22595 -0.16235 114 3PY -0.09802 0.42444 -0.15198 -0.02411 -0.19026 115 3PZ -0.03037 -0.22550 0.10008 0.13179 0.32365 116 4XX -0.00109 0.00759 0.00255 0.00454 -0.00940 117 4YY 0.00324 -0.07471 0.00928 0.00705 0.01802 118 4ZZ -0.00223 0.02584 -0.00887 0.00180 0.03214 119 4XY 0.00288 0.00269 0.00247 -0.01433 0.02752 120 4XZ 0.00117 0.02776 0.00463 -0.00538 -0.02619 121 4YZ -0.00142 -0.00277 0.00128 0.02038 0.00774 122 16 H 1S 0.00193 -0.07849 -0.02175 0.08504 0.19786 123 2S 0.07203 -0.02391 0.03014 -0.08784 0.04211 124 17 C 1S -0.00852 -0.00393 0.00861 -0.00101 0.02782 125 2S 0.00058 -0.21695 -0.06305 0.08086 0.01526 126 2PX -0.01242 -0.05347 0.10315 -0.19421 0.16452 127 2PY -0.01584 0.31626 -0.07044 0.01993 -0.20517 128 2PZ -0.02137 0.10305 -0.11363 -0.10966 -0.29687 129 3S 0.24243 0.06211 0.06687 -0.02873 -0.07268 130 3PX 0.06063 0.04784 0.10744 0.22585 -0.16315 131 3PY -0.09690 -0.42539 -0.14956 0.02416 0.19089 132 3PZ 0.03023 -0.22607 -0.09929 0.13233 0.32488 133 4XX 0.00105 0.00757 -0.00267 0.00458 -0.00943 134 4YY -0.00303 -0.07461 -0.00883 0.00698 0.01799 135 4ZZ 0.00216 0.02596 0.00877 0.00176 0.03211 136 4XY 0.00298 -0.00277 0.00242 0.01434 -0.02746 137 4XZ -0.00127 0.02764 -0.00477 -0.00535 -0.02622 138 4YZ -0.00144 0.00250 0.00129 -0.02035 -0.00775 139 18 H 1S -0.00191 -0.07786 0.02215 0.08493 0.19773 140 2S -0.07267 -0.02488 -0.02984 -0.08730 0.04187 141 19 O 1S -0.00187 0.01083 0.00845 0.00174 -0.01451 142 2S 0.02436 0.05184 0.01321 0.03069 0.13468 143 2PX 0.04315 -0.06617 -0.01156 -0.02353 -0.00469 144 2PY -0.02805 0.08540 -0.04272 -0.07259 0.11375 145 2PZ 0.01780 0.04884 0.07949 -0.00520 -0.13800 146 3S 0.02181 -0.49439 -0.13070 -0.07022 -0.26393 147 3PX -0.00350 0.04399 -0.11394 -0.07298 -0.06728 148 3PY 0.01764 -0.33898 0.01548 0.01400 -0.01200 149 3PZ 0.00906 -0.00460 0.06755 -0.07326 -0.03840 150 4XX 0.00510 0.05361 0.01288 0.00813 0.01020 151 4YY 0.01151 -0.05517 0.01130 0.01384 0.02053 152 4ZZ 0.00650 0.04800 0.01684 0.02074 0.02279 153 4XY -0.00422 0.02191 0.00789 0.01262 -0.00400 154 4XZ -0.00981 0.01916 -0.01776 -0.01576 0.03914 155 4YZ 0.00900 -0.02345 0.00255 -0.00086 0.00748 156 20 O 1S 0.00185 0.01077 -0.00853 0.00173 -0.01452 157 2S -0.02446 0.05187 -0.01359 0.03073 0.13462 158 2PX -0.04326 -0.06605 0.01198 -0.02340 -0.00444 159 2PY -0.02795 -0.08588 -0.04231 0.07265 -0.11327 160 2PZ -0.01787 0.04807 -0.07995 -0.00522 -0.13857 161 3S -0.02097 -0.49405 0.13394 -0.07039 -0.26339 162 3PX 0.00342 0.04446 0.11383 -0.07308 -0.06782 163 3PY 0.01706 0.33915 0.01357 -0.01388 0.01180 164 3PZ -0.00918 -0.00421 -0.06735 -0.07325 -0.03793 165 4XX -0.00516 0.05352 -0.01322 0.00813 0.01013 166 4YY -0.01148 -0.05532 -0.01100 0.01387 0.02061 167 4ZZ -0.00656 0.04801 -0.01718 0.02072 0.02276 168 4XY -0.00423 -0.02179 0.00804 -0.01257 0.00409 169 4XZ 0.00973 0.01926 0.01772 -0.01577 0.03916 170 4YZ 0.00899 0.02320 0.00241 0.00081 -0.00763 171 21 C 1S -0.00001 0.01004 -0.00002 -0.00756 0.01608 172 2S 0.00019 -0.36572 0.00110 0.00668 -0.09777 173 2PX 0.00015 -0.37691 0.00124 -0.13879 -0.29015 174 2PY -0.10843 -0.00020 0.00499 0.00025 0.00096 175 2PZ -0.00019 0.31851 -0.00101 -0.05654 -0.03635 176 3S -0.00055 0.91959 -0.00297 0.07160 0.12204 177 3PX -0.00009 0.79844 -0.00288 0.39787 0.43581 178 3PY 0.12639 0.00077 0.10556 -0.00027 -0.00191 179 3PZ 0.00041 -0.70965 0.00244 0.12354 0.34509 180 4XX 0.00001 -0.01089 0.00000 0.02612 0.03731 181 4YY 0.00001 0.03632 -0.00009 -0.00517 -0.00494 182 4ZZ -0.00002 -0.01433 0.00007 -0.02865 -0.01858 183 4XY 0.00484 0.00001 0.00374 -0.00002 -0.00002 184 4XZ 0.00000 0.01528 -0.00007 0.01366 -0.00820 185 4YZ -0.00822 0.00001 -0.00878 0.00004 0.00005 186 22 H 1S 0.00002 0.05633 -0.00032 0.11209 0.14998 187 2S 0.00019 0.05052 -0.00020 0.09429 0.07494 188 23 H 1S -0.00004 0.03696 -0.00007 -0.07928 -0.08966 189 2S -0.00001 0.00404 0.00005 -0.07712 -0.24453 71 72 73 74 75 V V V V V Eigenvalues -- 0.52317 0.54652 0.54788 0.54867 0.56890 1 1 C 1S 0.00900 0.00577 -0.00043 0.00290 0.01406 2 2S -0.00250 -0.04058 -0.05270 -0.00411 -0.08434 3 2PX -0.10645 0.08717 0.07040 0.10162 -0.31267 4 2PY 0.03805 -0.07119 -0.15596 -0.08886 0.03837 5 2PZ -0.12383 -0.07873 -0.04467 0.04576 0.10999 6 3S -0.34107 0.12435 0.16714 0.27670 -1.12948 7 3PX 0.14036 -0.16028 -0.19042 -0.04827 0.10168 8 3PY -0.32875 0.12600 0.27457 0.41219 -0.75664 9 3PZ 0.35673 -0.01547 0.02184 -0.03808 0.21390 10 4XX 0.01346 -0.00305 -0.02928 0.00055 0.00212 11 4YY 0.01941 0.00330 0.05576 -0.00769 -0.01851 12 4ZZ -0.02602 -0.00130 -0.03672 0.01725 -0.00658 13 4XY 0.00178 -0.00200 0.00004 -0.01276 -0.00498 14 4XZ 0.01486 -0.00916 0.00265 -0.02604 0.04100 15 4YZ -0.03552 0.01188 0.01278 0.01921 -0.02395 16 2 H 1S 0.04043 0.05033 0.26432 -0.01701 -0.11438 17 2S -0.13421 0.00957 -0.08787 0.20359 -0.24311 18 3 C 1S -0.00607 -0.00115 0.00960 -0.00155 -0.04588 19 2S -0.18015 0.01929 0.09688 0.19025 -0.09184 20 2PX -0.01246 0.02157 -0.01781 0.19923 -0.01918 21 2PY -0.18859 -0.04999 -0.00245 0.09631 0.23967 22 2PZ 0.04486 0.04395 -0.16534 0.26753 -0.07362 23 3S 0.37977 0.05991 -0.15079 -0.28076 0.97593 24 3PX -0.09686 -0.01682 0.00029 -0.05753 -0.66292 25 3PY 0.22957 0.14544 -0.03544 -0.19746 -0.32878 26 3PZ -0.04057 0.00033 0.14724 -0.27172 0.61388 27 4XX 0.01532 -0.00496 -0.00706 0.00154 0.01364 28 4YY -0.04921 0.01481 0.01358 0.04494 -0.06030 29 4ZZ 0.00327 -0.00332 0.02892 -0.01493 -0.00276 30 4XY -0.00932 0.00509 -0.03006 0.01813 -0.00502 31 4XZ 0.00371 -0.00351 -0.04133 0.00947 0.03638 32 4YZ 0.00027 -0.00484 0.03180 0.00196 0.00583 33 4 H 1S -0.01085 0.01251 0.26253 -0.05628 -0.16882 34 2S -0.04798 0.06884 -0.11807 0.01295 0.20212 35 5 C 1S -0.00607 0.00063 0.00981 -0.00163 0.04600 36 2S -0.18009 -0.02190 0.09618 0.19044 0.09082 37 2PX -0.01276 -0.01794 -0.01888 0.19921 0.02034 38 2PY 0.18849 -0.05124 0.00068 -0.09610 0.23720 39 2PZ 0.04513 -0.03184 -0.16730 0.26775 0.07342 40 3S 0.37961 -0.05489 -0.15659 -0.27757 -0.97538 41 3PX -0.09665 0.01528 0.00475 -0.05896 0.66261 42 3PY -0.22980 0.14569 0.03868 0.19616 -0.32449 43 3PZ -0.04120 -0.01115 0.14466 -0.26977 -0.61415 44 4XX 0.01530 0.00531 -0.00685 0.00156 -0.01361 45 4YY -0.04919 -0.01494 0.01315 0.04506 0.06045 46 4ZZ 0.00328 0.00171 0.02896 -0.01500 0.00255 47 4XY 0.00939 0.00325 0.03028 -0.01827 -0.00529 48 4XZ 0.00374 0.00575 -0.04117 0.00941 -0.03632 49 4YZ -0.00036 -0.00317 -0.03205 -0.00180 0.00621 50 6 H 1S -0.01085 -0.02702 0.26215 -0.05619 0.16764 51 2S -0.04798 -0.06220 -0.12181 0.01441 -0.20170 52 7 C 1S 0.00900 -0.00570 -0.00076 0.00302 -0.01444 53 2S -0.00204 0.04382 -0.05049 -0.00531 0.08370 54 2PX -0.10655 -0.08914 0.06697 0.10201 0.31256 55 2PY -0.03801 -0.07895 0.15222 0.08988 0.03755 56 2PZ -0.12381 0.08175 -0.04127 0.04420 -0.10949 57 3S -0.34213 -0.13142 0.16552 0.27660 1.12963 58 3PX 0.14083 0.16970 -0.18099 -0.05031 -0.09858 59 3PY 0.32873 0.13705 -0.26993 -0.41213 -0.75496 60 3PZ 0.35745 0.01467 0.01926 -0.03782 -0.21741 61 4XX 0.01347 0.00466 -0.02909 0.00048 -0.00181 62 4YY 0.01938 -0.00639 0.05561 -0.00762 0.01796 63 4ZZ -0.02594 0.00347 -0.03662 0.01711 0.00631 64 4XY -0.00181 -0.00191 -0.00020 0.01288 -0.00458 65 4XZ 0.01477 0.00871 0.00299 -0.02603 -0.04044 66 4YZ 0.03565 0.01227 -0.01204 -0.01938 -0.02377 67 8 H 1S 0.04055 -0.06461 0.26178 -0.01641 0.11106 68 2S -0.13448 -0.00302 -0.08770 0.20306 0.24353 69 9 C 1S 0.00316 0.00387 0.00075 0.00090 -0.00260 70 2S -0.11651 -0.04062 -0.06304 0.09993 0.11636 71 2PX -0.01434 -0.10185 -0.06769 0.23213 0.04365 72 2PY -0.07469 0.06845 0.19517 -0.06761 0.05663 73 2PZ 0.27286 0.10814 0.10182 -0.27142 -0.16847 74 3S 0.15293 0.28791 -0.16838 -0.21932 -0.55878 75 3PX -0.00060 -0.05127 0.11720 -0.25984 -0.31143 76 3PY 0.04484 -0.15268 -0.25495 0.11957 0.31205 77 3PZ -0.32980 -0.08095 -0.06302 0.35105 0.42632 78 4XX 0.00288 -0.01080 0.02631 -0.03029 -0.00345 79 4YY -0.00475 0.01068 -0.04666 0.02846 0.00384 80 4ZZ -0.01542 0.00927 -0.00698 0.01705 -0.00002 81 4XY 0.00623 0.00308 -0.02241 0.01516 0.00012 82 4XZ 0.02145 -0.00629 -0.00229 0.01436 0.01264 83 4YZ 0.00580 -0.00502 0.03297 0.01497 0.00823 84 10 H 1S 0.06257 -0.00798 0.06163 0.05835 0.06023 85 2S -0.05190 0.04621 -0.01642 -0.02836 0.01691 86 11 H 1S -0.00177 -0.01948 0.15751 -0.13167 -0.08402 87 2S -0.01802 -0.15898 0.00398 0.10957 -0.22175 88 12 C 1S 0.00315 -0.00388 0.00060 0.00101 0.00271 89 2S -0.11637 0.04476 -0.06145 0.09932 -0.11703 90 2PX -0.01476 0.10842 -0.06216 0.23149 -0.04361 91 2PY 0.07424 0.07927 -0.19103 0.06699 0.05919 92 2PZ 0.27259 -0.11572 0.09657 -0.26987 0.17049 93 3S 0.15247 -0.28115 -0.18205 -0.21656 0.56247 94 3PX -0.00003 0.04134 0.11969 -0.26154 0.31112 95 3PY -0.04445 -0.16646 0.24877 -0.11880 0.30861 96 3PZ -0.32936 0.08704 -0.05826 0.35080 -0.42799 97 4XX 0.00286 0.00908 0.02674 -0.03046 0.00329 98 4YY -0.00474 -0.00801 -0.04707 0.02863 -0.00348 99 4ZZ -0.01540 -0.00867 -0.00749 0.01717 0.00007 100 4XY -0.00627 0.00163 0.02257 -0.01525 -0.00010 101 4XZ 0.02148 0.00668 -0.00190 0.01411 -0.01260 102 4YZ -0.00576 -0.00334 -0.03321 -0.01489 0.00844 103 13 H 1S -0.00184 0.00941 0.15825 -0.13182 0.08312 104 2S -0.01812 0.15970 0.01313 0.10753 0.22191 105 14 H 1S 0.06259 0.00583 0.06193 0.05799 -0.06051 106 2S -0.05183 -0.04532 -0.01897 -0.02785 -0.01683 107 15 C 1S -0.00949 -0.04589 -0.00782 -0.02109 -0.01977 108 2S 0.01738 0.04885 -0.16489 0.00620 0.08356 109 2PX -0.33543 0.13923 0.29328 -0.00092 -0.43692 110 2PY -0.06256 0.18266 -0.12597 -0.18792 -0.07013 111 2PZ -0.13087 0.03189 0.02911 0.07922 0.05671 112 3S -0.14323 1.08335 0.03818 -0.14602 0.12764 113 3PX 0.40175 -0.66970 -0.55689 -0.14010 0.89785 114 3PY 0.19315 0.71562 0.39855 0.35273 0.13379 115 3PZ 0.17637 0.26904 0.15927 -0.03219 -0.07705 116 4XX -0.02496 0.00952 -0.00417 0.00140 -0.01647 117 4YY 0.00109 -0.02089 -0.03150 -0.00927 0.00724 118 4ZZ 0.00253 0.00949 0.01565 -0.00806 -0.02208 119 4XY -0.02337 0.01204 0.04799 0.00793 0.00652 120 4XZ 0.01115 0.01115 0.01560 0.02019 0.02840 121 4YZ 0.02614 -0.01537 -0.00233 -0.00875 0.00041 122 16 H 1S 0.09096 -0.08840 0.00035 -0.12326 -0.04154 123 2S 0.08684 0.38455 0.32285 0.18451 -0.03466 124 17 C 1S -0.00942 0.04603 -0.00523 -0.02162 0.01973 125 2S 0.01681 -0.04057 -0.16724 0.00665 -0.08553 126 2PX -0.33504 -0.15445 0.28697 0.00052 0.43682 127 2PY 0.06261 0.17742 0.13614 0.18571 -0.07082 128 2PZ -0.13057 -0.03301 0.02673 0.07962 -0.05816 129 3S -0.14375 -1.08428 -0.02118 -0.13283 -0.12350 130 3PX 0.40305 0.69689 -0.52342 -0.14769 -0.89881 131 3PY -0.19207 0.73296 -0.35964 -0.36142 0.13583 132 3PZ 0.17579 -0.27465 0.14560 -0.02898 0.07834 133 4XX -0.02495 -0.00927 -0.00465 0.00147 0.01663 134 4YY 0.00106 0.02246 -0.03015 -0.00954 -0.00742 135 4ZZ 0.00248 -0.01043 0.01517 -0.00793 0.02181 136 4XY 0.02334 0.01448 -0.04733 -0.00816 0.00659 137 4XZ 0.01122 -0.01173 0.01474 0.02025 -0.02827 138 4YZ -0.02611 -0.01523 0.00134 0.00890 0.00070 139 18 H 1S 0.09128 0.08660 0.00567 -0.12407 0.04010 140 2S 0.08633 -0.39808 0.30123 0.18890 0.03388 141 19 O 1S -0.00211 0.00735 0.00138 0.00430 0.00343 142 2S -0.13998 -0.09664 -0.01522 -0.15607 -0.07793 143 2PX -0.10181 0.02495 0.07734 -0.02798 -0.10057 144 2PY -0.15663 -0.21040 -0.04526 -0.11556 -0.14897 145 2PZ -0.08780 -0.05646 -0.03909 -0.04634 0.04607 146 3S 0.61684 0.27859 0.08715 0.56769 0.54535 147 3PX -0.00954 -0.21732 -0.05595 0.01119 -0.04176 148 3PY 0.19741 0.01618 0.02217 0.15447 0.09892 149 3PZ -0.12186 0.25684 0.07071 0.01131 -0.02085 150 4XX -0.04011 -0.02042 -0.01326 -0.03962 0.00328 151 4YY 0.00207 -0.00052 0.02091 -0.00637 -0.01383 152 4ZZ -0.04398 -0.01470 -0.01067 -0.04206 0.00358 153 4XY 0.00358 -0.05351 -0.01967 -0.01227 -0.00363 154 4XZ -0.03600 -0.01664 0.01251 -0.02826 -0.05637 155 4YZ 0.00379 0.05877 0.02410 0.01756 -0.00435 156 20 O 1S -0.00214 -0.00740 0.00098 0.00439 -0.00341 157 2S -0.13993 0.09570 -0.00958 -0.15715 0.07758 158 2PX -0.10173 -0.02947 0.07634 -0.02765 0.10081 159 2PY 0.15679 -0.21172 0.03357 0.11808 -0.14970 160 2PZ -0.08783 0.05717 -0.03615 -0.04684 -0.04648 161 3S 0.61743 -0.27681 0.07001 0.57066 -0.54595 162 3PX -0.00932 0.21983 -0.04438 0.00857 0.04097 163 3PY -0.19738 0.01608 -0.02108 -0.15460 0.09882 164 3PZ -0.12239 -0.26008 0.05686 0.01399 0.02171 165 4XX -0.04010 0.02064 -0.01214 -0.03988 -0.00360 166 4YY 0.00211 -0.00088 0.02110 -0.00630 0.01378 167 4ZZ -0.04407 0.01496 -0.00985 -0.04228 -0.00361 168 4XY -0.00349 -0.05435 0.01682 0.01296 -0.00361 169 4XZ -0.03597 0.01563 0.01357 -0.02840 0.05655 170 4YZ -0.00375 0.05974 -0.02091 -0.01816 -0.00427 171 21 C 1S -0.01516 0.00001 -0.00355 -0.02241 0.00003 172 2S 0.14617 -0.00240 0.13285 0.25194 -0.00023 173 2PX 0.06790 -0.00339 0.17487 0.28195 0.00031 174 2PY 0.00065 -0.85334 -0.02285 0.00524 -0.25711 175 2PZ -0.45824 0.00334 -0.22539 -0.30888 -0.00021 176 3S -0.30170 0.00433 -0.23156 -0.34981 -0.00004 177 3PX -0.11518 0.01331 -0.63193 -0.66324 -0.00142 178 3PY -0.00110 1.46656 0.03910 -0.00943 0.53717 179 3PZ 0.94715 -0.01152 0.72536 0.94826 0.00086 180 4XX 0.02769 -0.00011 0.00796 0.01273 -0.00001 181 4YY -0.03413 0.00067 -0.02552 -0.01970 0.00005 182 4ZZ -0.03183 -0.00039 0.00560 -0.02081 -0.00004 183 4XY -0.00001 0.04316 0.00124 -0.00024 0.03031 184 4XZ -0.00049 0.00072 -0.03051 -0.01655 -0.00006 185 4YZ 0.00001 -0.05045 -0.00142 0.00030 -0.02431 186 22 H 1S 0.06053 0.00222 -0.09346 -0.06926 -0.00020 187 2S 0.03883 0.00457 -0.19541 -0.13720 -0.00063 188 23 H 1S -0.16528 0.00189 -0.12982 -0.23029 -0.00021 189 2S -0.22740 0.00300 -0.19987 -0.31385 0.00011 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60744 0.61336 0.61823 0.63631 1 1 C 1S -0.04650 0.03167 -0.00310 0.02896 0.00118 2 2S 0.00238 0.03589 -0.14753 -0.06665 -0.05574 3 2PX -0.02122 0.01646 -0.15791 0.19140 -0.12263 4 2PY 0.11269 -0.11539 -0.06900 0.08195 0.01369 5 2PZ 0.00264 0.12633 -0.05754 0.22955 -0.47176 6 3S -0.11349 0.08287 0.47041 -0.23622 0.47148 7 3PX 0.30309 -0.44784 0.09868 -0.43348 0.18829 8 3PY -0.07324 0.25437 0.41688 -0.77549 0.27017 9 3PZ -0.12872 0.32320 0.04868 -0.09377 0.60637 10 4XX 0.02326 -0.01987 -0.01641 0.03090 -0.01821 11 4YY -0.03230 0.03866 -0.02973 -0.03225 0.01876 12 4ZZ -0.04540 0.03144 0.02853 0.01893 -0.00445 13 4XY -0.03583 0.02156 -0.02097 0.01445 -0.02077 14 4XZ 0.06395 -0.05119 -0.02230 -0.00572 -0.01097 15 4YZ -0.01027 0.03595 -0.02638 0.01202 -0.01814 16 2 H 1S -0.23810 0.16206 -0.10915 -0.05819 0.02448 17 2S 0.00975 0.03571 0.24761 -0.31265 0.05977 18 3 C 1S 0.02323 -0.01963 -0.00849 -0.02394 0.02651 19 2S -0.06312 0.14570 -0.12687 -0.22159 -0.02201 20 2PX 0.22338 0.05272 -0.48178 -0.08509 -0.27029 21 2PY 0.28097 -0.11333 0.06882 -0.17398 -0.07816 22 2PZ -0.12512 0.25306 -0.26151 0.06669 -0.15316 23 3S -0.05133 -0.01328 0.11578 0.67989 -0.29939 24 3PX -0.19582 -0.31413 0.61730 -0.09791 0.61439 25 3PY -0.30038 -0.25194 -0.23276 0.19498 -0.08437 26 3PZ 0.02301 0.02130 0.09224 0.11299 -0.10004 27 4XX -0.01065 -0.00297 0.01412 -0.02522 0.02656 28 4YY 0.02698 0.01852 -0.00212 -0.04636 0.01850 29 4ZZ 0.00417 -0.00155 -0.06270 0.00917 -0.02968 30 4XY 0.01575 -0.00209 -0.02494 0.01465 0.01090 31 4XZ -0.01716 0.01518 0.04328 0.03493 -0.01487 32 4YZ -0.02144 0.00112 -0.02855 -0.02744 0.00035 33 4 H 1S 0.01192 -0.03919 -0.20329 -0.23062 0.06894 34 2S -0.00124 0.13844 -0.08631 0.12436 -0.16925 35 5 C 1S 0.02271 0.02009 -0.00855 -0.02349 -0.02650 36 2S -0.06282 -0.14301 -0.12596 -0.22440 0.02163 37 2PX 0.22281 -0.05247 -0.48302 -0.08634 0.26877 38 2PY -0.28198 -0.11768 -0.06840 0.17159 -0.07912 39 2PZ -0.12526 -0.25656 -0.26105 0.06168 0.15186 40 3S -0.04270 0.00213 0.11452 0.67813 0.29993 41 3PX -0.20284 0.31789 0.61810 -0.09035 -0.61213 42 3PY 0.30423 -0.24561 0.23563 -0.20027 -0.08311 43 3PZ 0.02966 -0.02274 0.09277 0.11178 0.09991 44 4XX -0.01049 0.00335 0.01419 -0.02510 -0.02656 45 4YY 0.02649 -0.01766 -0.00208 -0.04678 -0.01837 46 4ZZ 0.00416 0.00113 -0.06271 0.00924 0.02944 47 4XY -0.01574 -0.00174 0.02485 -0.01472 0.01088 48 4XZ -0.01683 -0.01562 0.04339 0.03449 0.01496 49 4YZ 0.02139 0.00082 0.02869 0.02737 0.00048 50 6 H 1S 0.01044 0.04225 -0.20341 -0.22968 -0.06993 51 2S 0.00155 -0.14090 -0.08612 0.12117 0.16871 52 7 C 1S -0.04615 -0.03242 -0.00287 0.02831 -0.00132 53 2S 0.00200 -0.03480 -0.14774 -0.06688 0.05517 54 2PX -0.02411 -0.02120 -0.15855 0.19067 0.12160 55 2PY -0.11208 -0.11410 0.06984 -0.08482 0.01272 56 2PZ 0.00283 -0.13073 -0.05883 0.22673 0.47135 57 3S -0.12384 -0.07872 0.47160 -0.23660 -0.46934 58 3PX 0.30162 0.45782 0.09745 -0.42447 -0.18775 59 3PY 0.07888 0.24060 -0.41897 0.77934 0.26928 60 3PZ -0.12366 -0.32207 0.05229 -0.09979 -0.60553 61 4XX 0.02309 0.01937 -0.01657 0.03120 0.01820 62 4YY -0.03209 -0.03841 -0.02948 -0.03287 -0.01896 63 4ZZ -0.04528 -0.03172 0.02870 0.01835 0.00443 64 4XY 0.03573 0.02200 0.02096 -0.01392 -0.02053 65 4XZ 0.06398 0.05147 -0.02261 -0.00478 0.01100 66 4YZ 0.01043 0.03641 0.02622 -0.01150 -0.01805 67 8 H 1S -0.23769 -0.16268 -0.10812 -0.06101 -0.02548 68 2S 0.00748 -0.02928 0.24780 -0.31287 -0.05828 69 9 C 1S 0.01473 0.00282 -0.00451 -0.00853 0.02528 70 2S -0.12528 -0.14556 0.01798 -0.02149 -0.23420 71 2PX -0.00882 -0.09494 0.16390 -0.06227 -0.07768 72 2PY -0.24726 0.04297 -0.05532 0.33753 0.31932 73 2PZ 0.33492 0.38677 -0.05421 0.03097 -0.01456 74 3S 0.33051 0.51453 -0.02198 -0.09768 1.00040 75 3PX -0.05044 0.20024 -0.29594 0.20022 0.18547 76 3PY 0.35059 0.02062 0.17940 -0.64546 -0.75593 77 3PZ -0.39457 -1.03750 0.28875 -0.20815 -0.11231 78 4XX -0.00542 0.01670 -0.02307 0.03504 -0.03166 79 4YY 0.01431 -0.00155 0.02663 -0.06347 0.03139 80 4ZZ -0.00035 -0.02045 -0.00269 0.00919 0.00901 81 4XY 0.01810 0.00333 0.01062 0.00905 0.00523 82 4XZ 0.00123 0.00790 0.01007 0.01349 -0.02592 83 4YZ -0.00832 0.00090 -0.00248 -0.04215 -0.01766 84 10 H 1S 0.02426 0.02198 -0.06174 0.03847 0.04348 85 2S 0.03024 0.10342 -0.07078 0.06651 0.17000 86 11 H 1S -0.01228 0.06776 -0.15710 0.00694 0.03265 87 2S -0.01633 0.01740 -0.09272 0.12571 0.13459 88 12 C 1S 0.01479 -0.00260 -0.00437 -0.00865 -0.02528 89 2S -0.12558 0.14544 0.01614 -0.01842 0.23390 90 2PX -0.00966 0.09660 0.16327 -0.06101 0.07878 91 2PY 0.24548 0.05152 0.05368 -0.33617 0.31968 92 2PZ 0.33577 -0.38546 -0.05250 0.02320 0.01603 93 3S 0.32998 -0.51087 -0.01528 -0.10769 -1.00028 94 3PX -0.05165 -0.20547 -0.29554 0.19695 -0.18792 95 3PY -0.35248 0.00435 -0.17671 0.64610 -0.75698 96 3PZ -0.39554 1.03948 0.28352 -0.18710 0.11075 97 4XX -0.00549 -0.01740 -0.02321 0.03476 0.03149 98 4YY 0.01433 0.00294 0.02676 -0.06359 -0.03128 99 4ZZ -0.00032 0.02019 -0.00271 0.00968 -0.00900 100 4XY -0.01814 0.00335 -0.01070 -0.00899 0.00509 101 4XZ 0.00128 -0.00825 0.00989 0.01339 0.02609 102 4YZ 0.00829 0.00026 0.00260 0.04204 -0.01759 103 13 H 1S -0.01298 -0.06848 -0.15672 0.00544 -0.03360 104 2S -0.01877 -0.01971 -0.09259 0.12484 -0.13526 105 14 H 1S 0.02484 -0.02307 -0.06157 0.03817 -0.04348 106 2S 0.03075 -0.10439 -0.06904 0.06429 -0.16959 107 15 C 1S -0.00530 0.01846 -0.01212 -0.00872 0.01492 108 2S -0.34869 0.22917 -0.13662 -0.21498 -0.14482 109 2PX 0.10927 -0.17585 0.12866 0.03819 -0.01367 110 2PY 0.06222 -0.33814 -0.15991 0.06653 -0.23845 111 2PZ -0.12604 0.23756 0.04653 -0.12540 0.11710 112 3S 0.64496 -0.66282 -0.03016 0.45386 0.68330 113 3PX -0.26909 0.53536 -0.15032 -0.13555 0.17451 114 3PY -0.16488 0.33826 0.38999 -0.20865 0.77105 115 3PZ 0.19653 -0.51823 0.00478 0.06075 0.15753 116 4XX 0.01640 -0.02779 -0.02543 0.00512 -0.05027 117 4YY -0.03617 0.06426 -0.03901 -0.01117 0.04331 118 4ZZ -0.01957 -0.00776 0.02293 -0.02930 -0.00395 119 4XY 0.01722 -0.00336 0.01256 0.01355 0.00565 120 4XZ 0.01717 0.00243 0.01813 0.01524 -0.00557 121 4YZ -0.04670 0.00557 -0.00060 -0.05775 0.00840 122 16 H 1S -0.17142 0.09734 -0.00362 -0.28256 0.20208 123 2S 0.04834 -0.04637 0.17975 0.00935 0.24582 124 17 C 1S -0.00538 -0.01845 -0.01186 -0.00922 -0.01506 125 2S -0.34701 -0.22762 -0.13616 -0.21861 0.14290 126 2PX 0.10534 0.17677 0.12689 0.04168 0.01508 127 2PY -0.05885 -0.33563 0.16372 -0.07250 -0.23669 128 2PZ -0.12404 -0.23569 0.04773 -0.12882 -0.11715 129 3S 0.64593 0.65820 -0.03090 0.46951 -0.68245 130 3PX -0.26139 -0.53535 -0.14502 -0.14760 -0.17719 131 3PY 0.15875 0.33216 -0.39610 0.21106 0.76791 132 3PZ 0.19487 0.51815 0.00372 0.06998 -0.15584 133 4XX 0.01609 0.02774 -0.02586 0.00556 0.05014 134 4YY -0.03574 -0.06443 -0.03825 -0.01250 -0.04373 135 4ZZ -0.01964 0.00827 0.02279 -0.02894 0.00407 136 4XY -0.01728 -0.00322 -0.01262 -0.01364 0.00551 137 4XZ 0.01743 -0.00246 0.01810 0.01517 0.00567 138 4YZ 0.04660 0.00460 0.00035 0.05788 0.00839 139 18 H 1S -0.17082 -0.09312 -0.00173 -0.28427 -0.20291 140 2S 0.04919 0.04672 0.18047 0.01133 -0.24399 141 19 O 1S 0.00311 -0.00517 -0.00034 0.00261 -0.00250 142 2S -0.02550 0.02903 -0.02024 -0.06281 0.05414 143 2PX 0.05984 -0.07523 -0.00501 -0.03058 -0.01939 144 2PY 0.10406 -0.09387 -0.03083 0.13820 -0.02634 145 2PZ -0.03172 0.05460 -0.04685 -0.04739 -0.04110 146 3S -0.12710 0.39265 0.09064 0.00516 -0.03952 147 3PX -0.10635 0.16437 0.02244 -0.05181 0.02366 148 3PY -0.01805 0.07621 -0.03019 -0.02643 -0.03811 149 3PZ 0.10312 -0.11039 -0.00028 0.02845 -0.03672 150 4XX -0.03175 0.05017 0.00127 -0.03219 0.03816 151 4YY -0.00094 -0.00486 -0.00502 -0.02296 0.00355 152 4ZZ -0.00329 0.00963 -0.00522 -0.01430 0.00609 153 4XY -0.01990 0.01759 0.00221 -0.02081 -0.00112 154 4XZ 0.03258 -0.05522 0.00765 0.01408 -0.01007 155 4YZ 0.00813 -0.01187 0.00725 0.00962 0.00320 156 20 O 1S 0.00314 0.00518 -0.00039 0.00274 0.00255 157 2S -0.02609 -0.02835 -0.01975 -0.06366 -0.05468 158 2PX 0.05852 0.07617 -0.00563 -0.02933 0.01944 159 2PY -0.10215 -0.09165 0.03148 -0.13928 -0.02635 160 2PZ -0.03123 -0.05410 -0.04674 -0.04851 0.04061 161 3S -0.12102 -0.39321 0.09268 -0.00126 0.03990 162 3PX -0.10639 -0.16405 0.02348 -0.05530 -0.02391 163 3PY 0.01689 0.07619 0.03001 0.02785 -0.03754 164 3PZ 0.10291 0.11058 -0.00129 0.03117 0.03703 165 4XX -0.03148 -0.04980 0.00171 -0.03312 -0.03829 166 4YY -0.00109 0.00519 -0.00503 -0.02288 -0.00369 167 4ZZ -0.00322 -0.00942 -0.00509 -0.01455 -0.00617 168 4XY 0.01984 0.01714 -0.00225 0.02112 -0.00114 169 4XZ 0.03185 0.05516 0.00726 0.01506 0.01019 170 4YZ -0.00811 -0.01171 -0.00717 -0.00993 0.00316 171 21 C 1S 0.00670 -0.00003 -0.00312 0.00173 -0.00003 172 2S -0.03525 0.00009 0.00717 -0.03271 -0.00026 173 2PX 0.08788 0.00056 0.02116 -0.02738 0.00009 174 2PY 0.00132 0.04611 -0.00010 0.00115 0.00716 175 2PZ -0.04558 0.00102 -0.08463 -0.12310 -0.00049 176 3S -0.01881 0.00009 0.07424 0.07530 0.00094 177 3PX -0.46604 -0.00094 -0.14475 -0.05351 -0.00091 178 3PY -0.00314 -0.09965 0.00017 -0.00275 -0.07583 179 3PZ 0.29358 -0.00372 0.34198 0.51998 0.00212 180 4XX 0.00063 -0.00004 0.01687 0.00842 0.00006 181 4YY -0.00667 -0.00018 -0.01210 0.01986 -0.00007 182 4ZZ 0.00257 0.00019 -0.01033 -0.02787 -0.00008 183 4XY -0.00014 0.02053 -0.00006 0.00018 0.01141 184 4XZ -0.03120 0.00018 -0.01175 -0.03020 -0.00010 185 4YZ 0.00012 -0.00656 -0.00001 0.00004 0.00526 186 22 H 1S -0.08732 -0.00008 0.00097 -0.02259 -0.00019 187 2S -0.20520 -0.00090 -0.09480 -0.00123 -0.00061 188 23 H 1S -0.08740 0.00116 -0.10553 -0.19897 -0.00080 189 2S -0.05870 0.00145 -0.14893 -0.19902 -0.00100 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71284 0.72293 0.74095 1 1 C 1S -0.01595 0.00040 0.01539 0.00173 0.01016 2 2S 0.13175 0.19978 -0.31518 -0.15373 0.06345 3 2PX 0.20747 0.02779 -0.21993 -0.28052 0.33282 4 2PY 0.09167 0.22015 -0.38871 0.10266 -0.03187 5 2PZ -0.16075 -0.02577 0.03703 -0.57873 0.07533 6 3S -0.52108 -0.56614 0.75353 0.51637 0.17946 7 3PX 0.05376 -0.06070 0.79394 0.18779 -0.62544 8 3PY -0.31284 -0.59663 0.95318 -0.29009 0.04569 9 3PZ 0.20064 0.12221 -0.14046 1.37142 -0.12545 10 4XX 0.03424 0.01575 -0.00043 0.00463 -0.00746 11 4YY -0.02156 0.01498 0.02486 -0.04492 -0.00844 12 4ZZ -0.01794 -0.02118 -0.01897 0.02179 0.03452 13 4XY -0.01046 0.01119 -0.00623 -0.01325 0.01550 14 4XZ 0.03367 -0.00776 -0.01106 -0.00161 -0.00880 15 4YZ 0.02063 -0.02492 -0.01122 0.01095 0.00461 16 2 H 1S -0.14261 0.13509 0.05765 -0.09203 -0.02618 17 2S 0.00318 -0.13483 0.31172 -0.05845 0.02147 18 3 C 1S 0.04391 0.04066 -0.02178 -0.00069 0.02264 19 2S -0.18396 0.01587 -0.19132 0.03964 -0.11401 20 2PX 0.42784 -0.01932 0.02962 0.14997 -0.36895 21 2PY -0.24092 -0.19989 -0.18972 0.00884 -0.10090 22 2PZ 0.16945 0.06692 0.12695 0.11394 -0.23555 23 3S 0.67986 0.05679 -0.49849 0.33143 0.36486 24 3PX -0.68442 0.01986 0.18053 -0.43885 0.95636 25 3PY 0.61348 -0.00943 0.28711 -0.07998 0.15625 26 3PZ -0.27597 -0.18058 -0.44556 -0.18062 0.41047 27 4XX -0.01811 0.00019 -0.01705 -0.00210 -0.00077 28 4YY 0.05577 0.03381 -0.03674 0.00929 0.01797 29 4ZZ 0.00469 0.01637 -0.01256 0.00320 -0.01684 30 4XY 0.00616 -0.00960 -0.05110 0.03836 0.00909 31 4XZ -0.04062 -0.04481 0.05949 -0.00279 -0.01312 32 4YZ -0.01271 0.00697 0.03754 -0.01355 -0.00679 33 4 H 1S 0.15116 0.17439 -0.03563 -0.04068 0.03808 34 2S 0.04231 -0.24945 -0.17719 0.10268 -0.11792 35 5 C 1S -0.04386 -0.04069 -0.02181 -0.00063 -0.02234 36 2S 0.18420 -0.01616 -0.19122 0.03946 0.11248 37 2PX -0.42801 0.01930 0.02947 0.14729 0.36963 38 2PY -0.24140 -0.19968 0.19038 -0.00934 -0.10305 39 2PZ -0.17011 -0.06735 0.12756 0.11202 0.23351 40 3S -0.68060 -0.05505 -0.49676 0.32996 -0.35594 41 3PX 0.68513 -0.02015 0.17892 -0.43178 -0.95893 42 3PY 0.61447 -0.00957 -0.28698 0.08011 0.16162 43 3PZ 0.27712 0.18118 -0.44449 -0.17892 -0.40757 44 4XX 0.01810 -0.00022 -0.01730 -0.00198 0.00087 45 4YY -0.05562 -0.03390 -0.03645 0.00914 -0.01773 46 4ZZ -0.00476 -0.01633 -0.01257 0.00318 0.01668 47 4XY 0.00630 -0.00963 0.05104 -0.03840 0.00892 48 4XZ 0.04064 0.04480 0.05965 -0.00288 0.01276 49 4YZ -0.01272 0.00705 -0.03756 0.01360 -0.00646 50 6 H 1S -0.15096 -0.17458 -0.03544 -0.04067 -0.03634 51 2S -0.04265 0.24961 -0.17615 0.10160 0.11757 52 7 C 1S 0.01597 -0.00039 0.01539 0.00181 -0.01016 53 2S -0.13226 -0.19968 -0.31497 -0.15321 -0.06699 54 2PX -0.20654 -0.02804 -0.22112 -0.27833 -0.32885 55 2PY 0.09190 0.21985 0.38877 -0.10153 -0.03014 56 2PZ 0.16131 0.02627 0.03818 -0.57853 -0.08171 57 3S 0.52309 0.56504 0.74995 0.51935 -0.17280 58 3PX -0.05505 0.06065 0.79460 0.18577 0.61680 59 3PY -0.31453 -0.59502 -0.95139 0.28590 0.04326 60 3PZ -0.20235 -0.12264 -0.14230 1.37123 0.14183 61 4XX -0.03424 -0.01573 -0.00044 0.00461 0.00732 62 4YY 0.02155 -0.01494 0.02477 -0.04479 0.00810 63 4ZZ 0.01796 0.02115 -0.01897 0.02198 -0.03445 64 4XY -0.01042 0.01115 0.00604 0.01333 0.01606 65 4XZ -0.03372 0.00785 -0.01100 -0.00165 0.00923 66 4YZ 0.02063 -0.02495 0.01132 -0.01111 0.00444 67 8 H 1S 0.14284 -0.13525 0.05766 -0.09188 0.02488 68 2S -0.00270 0.13430 0.31147 -0.05791 -0.02035 69 9 C 1S 0.01275 -0.02764 0.00405 -0.02145 0.00392 70 2S -0.06138 0.31573 -0.10750 0.11673 -0.02074 71 2PX 0.07081 -0.01406 0.09365 0.04708 0.06427 72 2PY 0.29708 -0.45322 -0.08276 0.29210 -0.06542 73 2PZ -0.11995 -0.24334 -0.14106 -0.11029 0.11900 74 3S 0.24937 -1.09504 0.30128 -0.91111 -0.11035 75 3PX -0.11522 -0.11572 -0.30379 -0.18933 -0.20533 76 3PY -0.62650 1.47013 0.38827 -0.66744 0.24457 77 3PZ 0.33553 0.97954 0.40900 0.37802 -0.36843 78 4XX -0.01802 0.00982 -0.02290 0.03434 0.00578 79 4YY 0.02992 -0.03746 0.01011 -0.01431 -0.00694 80 4ZZ -0.00502 0.02598 0.00649 -0.04538 0.00162 81 4XY -0.00150 0.00093 0.01798 -0.02750 0.00003 82 4XZ -0.00001 -0.01831 0.01206 0.00580 0.00865 83 4YZ -0.00852 0.00188 0.06657 -0.00359 0.00276 84 10 H 1S 0.02141 -0.19727 0.07231 -0.18896 -0.00313 85 2S 0.05667 -0.36624 -0.28871 0.09076 0.08977 86 11 H 1S 0.02432 -0.14075 -0.07568 0.01256 0.05448 87 2S 0.07952 -0.35720 -0.19566 -0.08572 -0.07408 88 12 C 1S -0.01274 0.02763 0.00405 -0.02147 -0.00421 89 2S 0.06139 -0.31586 -0.10735 0.11661 0.02061 90 2PX -0.07104 0.01420 0.09500 0.04715 -0.06436 91 2PY 0.29698 -0.45398 0.08291 -0.29117 -0.06810 92 2PZ 0.11988 0.24312 -0.14139 -0.10942 -0.12240 93 3S -0.24915 1.09482 0.30042 -0.91076 0.10167 94 3PX 0.11623 0.11566 -0.30769 -0.18946 0.20465 95 3PY -0.62661 1.47274 -0.39017 0.66603 0.24908 96 3PZ -0.33527 -0.97791 0.40989 0.37469 0.37979 97 4XX 0.01799 -0.00982 -0.02299 0.03436 -0.00562 98 4YY -0.02986 0.03737 0.01027 -0.01435 0.00680 99 4ZZ 0.00502 -0.02594 0.00641 -0.04539 -0.00219 100 4XY -0.00139 0.00090 -0.01803 0.02755 0.00030 101 4XZ 0.00006 0.01836 0.01222 0.00582 -0.00845 102 4YZ -0.00871 0.00214 -0.06662 0.00371 0.00203 103 13 H 1S -0.02421 0.14090 -0.07642 0.01332 -0.05569 104 2S -0.07955 0.35714 -0.19714 -0.08517 0.07210 105 14 H 1S -0.02151 0.19705 0.07271 -0.18951 0.00140 106 2S -0.05739 0.36682 -0.28905 0.09198 -0.09330 107 15 C 1S -0.00156 0.01344 0.00639 -0.01665 0.00626 108 2S 0.09465 -0.02740 -0.16178 -0.11932 0.33714 109 2PX -0.29384 -0.08898 -0.01262 0.09470 -0.32077 110 2PY 0.09446 -0.20708 0.16797 0.02535 0.38138 111 2PZ -0.10997 0.05355 -0.22095 0.06994 0.00932 112 3S -0.51674 0.34691 0.50018 0.50555 -1.86992 113 3PX 0.68363 0.25151 -0.15916 -0.02974 1.00729 114 3PY -0.32244 0.69212 -0.37581 -0.19823 -1.04115 115 3PZ 0.05471 0.03239 0.46055 0.00602 -0.60820 116 4XX 0.01618 -0.03510 0.03092 -0.02277 0.01329 117 4YY -0.01972 0.03969 0.00468 -0.01103 -0.05514 118 4ZZ -0.00311 0.00449 -0.03591 0.00302 0.02721 119 4XY -0.00438 0.00341 0.03106 0.02841 -0.01778 120 4XZ 0.00651 0.00721 -0.00862 0.00054 0.00397 121 4YZ 0.00051 0.00725 0.00744 -0.00894 0.00437 122 16 H 1S -0.02561 0.17386 0.04841 -0.06216 0.07765 123 2S -0.06720 0.13608 0.01520 -0.06356 -0.39483 124 17 C 1S 0.00162 -0.01347 0.00633 -0.01659 -0.00628 125 2S -0.09394 0.02682 -0.16133 -0.11897 -0.33808 126 2PX 0.29316 0.08915 -0.01210 0.09336 0.31782 127 2PY 0.09445 -0.20671 -0.16834 -0.02608 0.38082 128 2PZ 0.10979 -0.05408 -0.22013 0.06883 -0.00982 129 3S 0.51408 -0.34669 0.49657 0.50403 1.87019 130 3PX -0.68327 -0.25226 -0.15950 -0.02663 -1.00353 131 3PY -0.32342 0.69158 0.38021 0.19731 -1.04119 132 3PZ -0.05539 -0.03084 0.45842 0.00827 0.60635 133 4XX -0.01611 0.03514 0.03098 -0.02271 -0.01318 134 4YY 0.01973 -0.03980 0.00450 -0.01107 0.05507 135 4ZZ 0.00313 -0.00453 -0.03595 0.00311 -0.02749 136 4XY -0.00423 0.00345 -0.03105 -0.02831 -0.01743 137 4XZ -0.00649 -0.00722 -0.00866 0.00055 -0.00355 138 4YZ 0.00045 0.00719 -0.00736 0.00890 0.00512 139 18 H 1S 0.02646 -0.17415 0.04801 -0.06128 -0.07927 140 2S 0.06697 -0.13555 0.01311 -0.06253 0.39601 141 19 O 1S -0.00053 -0.00500 0.00674 0.00641 -0.00808 142 2S -0.03343 0.00134 -0.02272 0.00862 -0.03992 143 2PX -0.05321 -0.09548 0.18937 0.02554 -0.09326 144 2PY -0.02629 -0.10249 0.10288 0.06974 -0.06993 145 2PZ -0.00887 -0.10340 0.08236 0.01100 -0.05243 146 3S 0.25058 0.25306 -0.28651 -0.18845 0.61549 147 3PX 0.04295 0.08556 -0.22123 -0.10770 0.24860 148 3PY 0.05066 0.05893 -0.07835 -0.06097 0.16577 149 3PZ -0.06211 0.02954 0.03327 0.01431 -0.09719 150 4XX -0.00799 0.02363 -0.04352 0.00606 -0.00319 151 4YY -0.00419 -0.01195 -0.00051 -0.00071 0.00742 152 4ZZ -0.00240 0.00405 0.00702 0.00572 -0.02203 153 4XY 0.00579 -0.00620 -0.00999 -0.00274 0.02691 154 4XZ -0.01988 -0.01615 0.02287 0.00370 -0.03074 155 4YZ -0.02327 0.00578 0.00949 0.01716 -0.04014 156 20 O 1S 0.00049 0.00502 0.00676 0.00639 0.00804 157 2S 0.03374 -0.00170 -0.02274 0.00864 0.04054 158 2PX 0.05320 0.09547 0.18958 0.02518 0.09205 159 2PY -0.02574 -0.10278 -0.10313 -0.06955 -0.07035 160 2PZ 0.00904 0.10305 0.08274 0.01036 0.05292 161 3S -0.25024 -0.25297 -0.28648 -0.18742 -0.61497 162 3PX -0.04253 -0.08572 -0.22146 -0.10711 -0.24737 163 3PY 0.05019 0.05931 0.07796 0.06083 0.16513 164 3PZ 0.06202 -0.02930 0.03336 0.01407 0.09677 165 4XX 0.00805 -0.02378 -0.04356 0.00606 0.00337 166 4YY 0.00439 0.01182 -0.00041 -0.00064 -0.00710 167 4ZZ 0.00239 -0.00410 0.00698 0.00565 0.02208 168 4XY 0.00572 -0.00624 0.00981 0.00274 0.02697 169 4XZ 0.01984 0.01619 0.02282 0.00366 0.03057 170 4YZ -0.02318 0.00587 -0.00950 -0.01704 -0.04018 171 21 C 1S 0.00001 -0.00001 -0.00782 -0.00063 0.00012 172 2S 0.00015 -0.00039 -0.02796 0.03197 0.00096 173 2PX 0.00018 -0.00009 0.14193 -0.04273 0.00044 174 2PY 0.00691 -0.11709 -0.00032 0.00006 -0.00315 175 2PZ 0.00028 -0.00034 0.19915 -0.00978 0.00030 176 3S -0.00045 0.00080 0.07493 -0.03183 -0.00220 177 3PX -0.00030 -0.00001 -0.55956 0.11938 -0.00015 178 3PY -0.02808 0.23149 0.00033 0.00011 -0.09587 179 3PZ -0.00115 0.00088 -0.30167 0.09418 -0.00214 180 4XX -0.00001 -0.00002 -0.01676 0.00897 0.00008 181 4YY -0.00003 0.00000 0.00978 0.02203 0.00022 182 4ZZ 0.00006 -0.00005 0.00297 -0.01697 0.00005 183 4XY 0.01310 0.01828 0.00005 -0.00003 0.02574 184 4XZ 0.00006 -0.00002 -0.03376 -0.01116 0.00010 185 4YZ -0.00173 -0.01541 0.00000 0.00004 -0.01046 186 22 H 1S 0.00016 -0.00010 -0.21845 -0.02983 0.00084 187 2S -0.00022 -0.00009 -0.28141 0.08692 -0.00010 188 23 H 1S 0.00045 -0.00019 -0.08946 -0.09412 0.00079 189 2S 0.00056 -0.00042 0.25194 0.00821 0.00167 86 87 88 89 90 V V V V V Eigenvalues -- 0.75191 0.77535 0.79576 0.79877 0.81067 1 1 C 1S -0.00370 -0.00521 -0.00426 -0.01251 -0.00368 2 2S -0.17686 -0.08614 0.11538 0.14924 -0.00326 3 2PX 0.41491 -0.21894 -0.10779 0.33307 -0.05406 4 2PY -0.22921 -0.15282 0.07301 -0.01417 0.06692 5 2PZ -0.27926 0.08662 -0.02586 0.12280 -0.06021 6 3S 0.19983 0.49454 -0.00245 0.06602 0.16064 7 3PX -0.68773 0.69032 0.20384 -0.06469 0.08276 8 3PY 0.47462 0.59510 0.02031 0.41708 -0.08742 9 3PZ 0.77628 -0.48879 0.11215 -0.62565 0.13370 10 4XX -0.02375 -0.01253 -0.01300 0.01373 0.00267 11 4YY -0.00039 0.00937 0.02426 0.03483 0.00564 12 4ZZ -0.00110 0.00545 0.00021 -0.03131 -0.01212 13 4XY -0.03339 0.02527 0.01076 -0.02753 -0.00241 14 4XZ 0.03604 0.00907 -0.00042 -0.01371 -0.00642 15 4YZ 0.01607 -0.00936 -0.00108 0.00126 -0.00256 16 2 H 1S -0.07027 0.02068 0.08858 -0.06177 0.03362 17 2S 0.19806 0.21997 -0.04065 0.12958 -0.09559 18 3 C 1S 0.02601 -0.00431 0.01009 0.00290 0.00892 19 2S -0.18216 0.00494 0.01998 0.10299 -0.01134 20 2PX 0.00124 -0.01288 -0.15207 -0.01082 -0.07043 21 2PY 0.17884 -0.09374 0.06988 0.41365 0.05538 22 2PZ -0.20759 0.05858 -0.01422 -0.05145 0.00647 23 3S 0.62693 -0.79442 0.01055 -1.19816 0.04414 24 3PX -0.02288 0.23261 0.19660 0.74172 0.09285 25 3PY -0.45270 0.33684 -0.07852 -0.93593 -0.05648 26 3PZ 0.28255 -0.28193 -0.05760 -0.46382 -0.08892 27 4XX 0.01617 -0.00722 0.01204 0.02301 -0.00280 28 4YY 0.00593 -0.01573 0.00028 -0.05600 -0.00178 29 4ZZ -0.01684 0.00738 -0.00291 0.02458 0.01075 30 4XY -0.00137 -0.03612 -0.02548 0.00639 -0.01297 31 4XZ -0.03191 0.01430 -0.02362 -0.01586 -0.01707 32 4YZ -0.01577 0.05234 0.02068 -0.01715 0.01235 33 4 H 1S 0.18784 0.11678 0.15197 -0.07230 0.09807 34 2S -0.12522 -0.15346 -0.24075 -0.50210 -0.18146 35 5 C 1S 0.02629 -0.00438 0.01009 -0.00275 0.00896 36 2S -0.18436 0.00567 0.02272 -0.10096 -0.01175 37 2PX -0.00208 -0.01342 -0.15232 0.00666 -0.07127 38 2PY -0.17605 0.09371 -0.07863 0.41230 -0.05395 39 2PZ -0.21049 0.05865 -0.01492 0.05242 0.00612 40 3S 0.63838 -0.79732 -0.01881 1.19600 0.04531 41 3PX -0.01750 0.23482 0.21323 -0.73672 0.09549 42 3PY 0.44872 -0.33662 0.09911 -0.93634 0.05335 43 3PZ 0.29186 -0.28254 -0.07004 0.45948 -0.08731 44 4XX 0.01609 -0.00737 0.01248 -0.02292 -0.00292 45 4YY 0.00624 -0.01553 -0.00082 0.05617 -0.00154 46 4ZZ -0.01703 0.00731 -0.00249 -0.02448 0.01061 47 4XY 0.00133 0.03615 0.02543 0.00676 0.01305 48 4XZ -0.03213 0.01449 -0.02375 0.01540 -0.01698 49 4YZ 0.01577 -0.05238 -0.02035 -0.01736 -0.01246 50 6 H 1S 0.18859 0.11650 0.15026 0.07499 0.09823 51 2S -0.12472 -0.15324 -0.25190 0.49729 -0.18096 52 7 C 1S -0.00360 -0.00522 -0.00456 0.01237 -0.00368 53 2S -0.17548 -0.08595 0.11807 -0.14619 -0.00292 54 2PX 0.41775 -0.21944 -0.10156 -0.33751 -0.05408 55 2PY 0.22994 0.15294 -0.07201 -0.01732 -0.06667 56 2PZ -0.27786 0.08790 -0.02346 -0.12398 -0.05914 57 3S 0.19432 0.49515 0.00369 -0.06405 0.15892 58 3PX -0.69677 0.69174 0.20489 0.07111 0.08187 59 3PY -0.47261 -0.59558 -0.03303 0.41773 0.08668 60 3PZ 0.77471 -0.49286 0.10041 0.63096 0.12936 61 4XX -0.02398 -0.01233 -0.01267 -0.01379 0.00264 62 4YY -0.00052 0.00933 0.02495 -0.03455 0.00559 63 4ZZ -0.00067 0.00540 -0.00043 0.03138 -0.01202 64 4XY 0.03290 -0.02534 -0.01026 -0.02794 0.00222 65 4XZ 0.03617 0.00896 -0.00084 0.01363 -0.00639 66 4YZ -0.01605 0.00942 0.00115 0.00118 0.00269 67 8 H 1S -0.07094 0.02070 0.08737 0.06348 0.03382 68 2S 0.19705 0.22079 -0.03627 -0.13126 -0.09515 69 9 C 1S -0.01435 0.00148 0.01027 -0.00325 0.00158 70 2S -0.07851 0.05361 0.08751 0.05614 0.13052 71 2PX -0.00280 0.01207 0.00143 -0.02122 -0.23611 72 2PY 0.08203 -0.14066 -0.03288 0.15101 0.02846 73 2PZ -0.19770 0.00075 0.01176 -0.03996 -0.00109 74 3S -0.21400 0.31011 -0.25082 0.05735 -0.33452 75 3PX -0.06077 -0.22091 -0.13050 0.26750 0.25967 76 3PY -0.03550 0.42895 -0.06897 -0.91117 -0.14056 77 3PZ 0.71061 -0.01417 -0.13337 0.15867 -0.05324 78 4XX -0.00970 -0.01240 0.01451 0.03280 -0.00051 79 4YY -0.00116 0.03899 -0.00662 0.01816 0.00517 80 4ZZ -0.02403 -0.00841 0.01174 -0.04466 0.01801 81 4XY 0.00157 0.01430 0.05799 -0.01046 0.06477 82 4XZ 0.01064 -0.03280 0.02236 -0.05807 0.03917 83 4YZ 0.06524 0.02031 0.01706 -0.00406 0.01547 84 10 H 1S -0.05011 -0.00812 0.28488 -0.21268 0.26141 85 2S -0.31933 0.05943 -0.05984 0.23211 -0.26269 86 11 H 1S -0.13391 0.00773 -0.03197 0.24547 -0.17416 87 2S -0.19693 -0.24871 0.11532 0.14718 0.40984 88 12 C 1S -0.01427 0.00142 0.01015 0.00349 0.00156 89 2S -0.07873 0.05381 0.08861 -0.05309 0.13025 90 2PX -0.00023 0.01241 0.00025 0.02210 -0.23485 91 2PY -0.08116 0.14016 0.02990 0.15131 -0.02942 92 2PZ -0.19736 0.00092 0.01112 0.04130 -0.00195 93 3S -0.21737 0.31054 -0.24717 -0.06691 -0.33365 94 3PX -0.06948 -0.22187 -0.12211 -0.27167 0.25458 95 3PY 0.02938 -0.42611 0.08808 -0.90694 0.14431 96 3PZ 0.70939 -0.01539 -0.13270 -0.16513 -0.05031 97 4XX -0.00974 -0.01232 0.01516 -0.03235 -0.00064 98 4YY -0.00108 0.03909 -0.00625 -0.01828 0.00522 99 4ZZ -0.02410 -0.00862 0.01084 0.04485 0.01804 100 4XY -0.00158 -0.01425 -0.05778 -0.01164 -0.06483 101 4XZ 0.01113 -0.03288 0.02100 0.05829 0.03926 102 4YZ -0.06531 -0.02028 -0.01702 -0.00422 -0.01556 103 13 H 1S -0.13401 0.00789 -0.02709 -0.24499 -0.17477 104 2S -0.20023 -0.24884 0.11981 -0.14518 0.40793 105 14 H 1S -0.04937 -0.00830 0.28046 0.21831 0.26174 106 2S -0.31893 0.06066 -0.05504 -0.23011 -0.26194 107 15 C 1S 0.00558 -0.01480 0.00115 0.00868 -0.00522 108 2S -0.00931 0.01771 0.27546 -0.08187 0.14348 109 2PX -0.27911 0.13298 -0.14436 -0.02191 -0.03753 110 2PY 0.05379 0.10344 0.08917 -0.32464 -0.01263 111 2PZ -0.11597 0.16928 0.21441 -0.30472 0.05049 112 3S -0.19490 0.44130 -0.12789 0.86601 -0.17977 113 3PX 0.32332 -0.19631 0.33199 -0.36412 0.11929 114 3PY -0.04310 -0.51703 -0.29330 1.43957 0.02940 115 3PZ 0.00310 -0.30100 -0.39940 0.97460 -0.01196 116 4XX 0.00305 -0.00248 -0.01588 -0.01545 0.01449 117 4YY 0.00861 0.02444 0.04050 0.05854 0.01669 118 4ZZ -0.02615 -0.03917 -0.00113 -0.00826 -0.02619 119 4XY -0.01236 0.03734 0.04751 0.00467 0.00162 120 4XZ 0.03424 0.04490 -0.02660 0.00981 -0.01021 121 4YZ -0.04433 -0.01520 -0.05733 -0.00442 -0.01654 122 16 H 1S -0.17365 -0.27527 -0.17661 -0.01278 -0.05793 123 2S 0.21021 -0.17942 -0.07835 0.86255 0.13333 124 17 C 1S 0.00560 -0.01485 0.00131 -0.00878 -0.00522 125 2S -0.00388 0.01749 0.27282 0.08701 0.14374 126 2PX -0.28271 0.13365 -0.14413 0.02084 -0.03721 127 2PY -0.06029 -0.10195 -0.08186 -0.32641 0.01287 128 2PZ -0.11457 0.16757 0.20696 0.31022 0.05130 129 3S -0.22559 0.44897 -0.10475 -0.86618 -0.18044 130 3PX 0.33709 -0.20210 0.32151 0.36930 0.11920 131 3PY 0.06388 0.50928 0.26026 1.44673 -0.02956 132 3PZ -0.01023 -0.29281 -0.37410 -0.98174 -0.01490 133 4XX 0.00334 -0.00234 -0.01616 0.01493 0.01455 134 4YY 0.00740 0.02477 0.04168 -0.05783 0.01668 135 4ZZ -0.02558 -0.03930 -0.00122 0.00846 -0.02625 136 4XY 0.01254 -0.03743 -0.04755 0.00367 -0.00155 137 4XZ 0.03420 0.04471 -0.02654 -0.01029 -0.01019 138 4YZ 0.04434 0.01539 0.05753 -0.00346 0.01669 139 18 H 1S -0.17291 -0.27574 -0.17702 0.00919 -0.05845 140 2S 0.20126 -0.17375 -0.05733 -0.86480 0.13274 141 19 O 1S -0.00223 0.00474 0.01092 -0.00246 0.00367 142 2S 0.03378 0.20346 -0.12892 -0.00934 -0.03460 143 2PX -0.11573 -0.16479 0.11548 -0.09337 -0.05648 144 2PY 0.05515 0.07729 0.16298 -0.01431 0.03942 145 2PZ 0.04641 0.10390 -0.05799 -0.13565 -0.09439 146 3S 0.08248 -0.47598 0.21742 -0.12904 0.07254 147 3PX 0.13902 -0.04329 -0.13135 0.04478 0.14480 148 3PY -0.01174 -0.00124 -0.14783 -0.08750 -0.04997 149 3PZ -0.08560 -0.10598 0.00464 0.07987 0.17268 150 4XX 0.02045 0.04565 0.02132 0.00008 -0.03071 151 4YY -0.00074 0.05625 -0.09083 -0.03377 -0.02241 152 4ZZ 0.01150 0.08578 -0.03391 0.01129 0.03287 153 4XY -0.01746 -0.00906 -0.03596 -0.03071 0.03035 154 4XZ -0.02272 -0.01183 -0.05280 0.01277 -0.01906 155 4YZ -0.00337 0.03765 0.00760 0.00415 0.03288 156 20 O 1S -0.00233 0.00479 0.01089 0.00269 0.00366 157 2S 0.03285 0.20388 -0.12866 0.00732 -0.03416 158 2PX -0.11675 -0.16427 0.11403 0.09545 -0.05605 159 2PY -0.05461 -0.07762 -0.16263 -0.01730 -0.03903 160 2PZ 0.04594 0.10392 -0.06089 0.13431 -0.09391 161 3S 0.09215 -0.47983 0.21185 0.13225 0.07251 162 3PX 0.14251 -0.04493 -0.13132 -0.04768 0.14500 163 3PY 0.00946 0.00256 0.15007 -0.08467 0.04938 164 3PZ -0.08682 -0.10568 0.00635 -0.07975 0.17227 165 4XX 0.02028 0.04566 0.02142 0.00068 -0.03055 166 4YY -0.00062 0.05642 -0.09141 0.03209 -0.02222 167 4ZZ 0.01102 0.08590 -0.03357 -0.01186 0.03290 168 4XY 0.01704 0.00923 0.03680 -0.02993 -0.03038 169 4XZ -0.02309 -0.01173 -0.05234 -0.01387 -0.01923 170 4YZ 0.00390 -0.03781 -0.00793 0.00408 -0.03301 171 21 C 1S 0.01848 0.04863 -0.04328 -0.00042 -0.00670 172 2S 0.14061 0.18587 0.30346 0.00330 0.07928 173 2PX 0.00294 -0.23789 -0.30577 -0.00399 0.52090 174 2PY 0.00003 0.00033 0.00038 -0.03514 -0.00054 175 2PZ -0.03255 -0.29834 -0.13076 -0.00210 0.54494 176 3S -0.28992 -0.54473 -0.33280 -0.00416 -0.07978 177 3PX 0.17792 1.11612 0.89987 0.01126 -0.98051 178 3PY 0.00079 -0.00066 -0.00052 0.07327 0.00132 179 3PZ -0.18596 0.59073 0.07380 0.00298 -1.15890 180 4XX -0.00498 0.09614 -0.12710 -0.00132 0.12272 181 4YY 0.04202 0.04469 0.11340 0.00112 0.02773 182 4ZZ 0.01957 -0.04299 0.01539 0.00023 -0.14228 183 4XY -0.00018 0.00002 -0.00002 -0.00190 -0.00001 184 4XZ 0.01848 0.03503 0.02833 0.00030 0.01315 185 4YZ 0.00008 0.00010 0.00010 -0.00206 0.00021 186 22 H 1S 0.10147 0.57507 -0.60206 -0.00618 0.47745 187 2S 0.15631 0.46880 1.17272 0.01384 -1.23692 188 23 H 1S 0.17110 0.08911 -0.07401 -0.00049 -0.57008 189 2S 0.10710 -0.21359 -0.17851 -0.00353 1.38392 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84204 0.85443 0.86451 0.88061 1 1 C 1S -0.00197 0.00718 -0.00751 -0.00076 0.00265 2 2S 0.10228 0.10689 0.08897 0.16366 0.10742 3 2PX 0.12933 0.06549 0.00945 0.08930 -0.07405 4 2PY 0.17429 -0.05066 -0.00827 0.09156 0.05255 5 2PZ 0.30228 0.03871 0.01399 0.21717 -0.02486 6 3S -1.32045 -0.35574 -0.73657 -0.80481 -0.42558 7 3PX -0.66958 0.13220 -0.15215 0.31727 -0.01718 8 3PY -0.64652 0.02452 -0.58127 -0.31309 -0.31689 9 3PZ -1.45858 -0.65380 -0.10346 -0.98859 -0.13637 10 4XX -0.02336 -0.03776 0.02424 -0.01873 -0.00817 11 4YY 0.02323 0.00511 -0.06667 0.02652 0.01586 12 4ZZ -0.02711 0.05426 0.03689 0.00016 -0.00729 13 4XY 0.02859 0.01242 -0.03624 0.01198 -0.01115 14 4XZ 0.02591 0.01193 0.00296 0.00974 -0.01907 15 4YZ -0.00485 -0.00138 0.02479 0.01357 0.01322 16 2 H 1S 0.12828 -0.00677 -0.09351 0.03857 0.08710 17 2S -0.40987 0.07277 0.03976 -0.16347 -0.20612 18 3 C 1S 0.01252 0.00742 -0.02294 -0.00881 -0.01518 19 2S -0.13019 -0.05252 0.05672 0.18437 0.32647 20 2PX -0.04692 0.08961 0.20717 0.12135 0.21624 21 2PY -0.15731 -0.05228 -0.41023 0.00747 -0.21220 22 2PZ -0.15118 -0.08482 -0.50887 -0.14790 -0.31998 23 3S 0.51825 -0.44958 1.39821 -0.44450 -0.69544 24 3PX 0.14629 -0.06215 -1.00492 -0.16369 -0.50023 25 3PY 0.33049 0.38301 1.90881 0.43938 0.43490 26 3PZ 0.87635 0.24682 1.78231 0.55398 0.65754 27 4XX -0.01220 0.01694 -0.00081 0.01960 0.00460 28 4YY 0.01564 -0.02275 0.07399 0.00886 0.02111 29 4ZZ 0.00367 -0.00325 -0.02509 0.00459 0.02003 30 4XY -0.00735 0.01089 0.02278 0.00074 0.06056 31 4XZ -0.01638 -0.01266 0.02858 -0.00397 0.02752 32 4YZ 0.01604 0.04139 -0.02372 -0.00136 -0.04469 33 4 H 1S 0.02195 0.18708 -0.33062 -0.12696 -0.31042 34 2S 0.20846 0.14530 1.68670 0.55287 1.02838 35 5 C 1S -0.01250 0.00740 0.02295 0.00874 -0.01513 36 2S 0.12939 -0.05200 -0.05654 -0.18453 0.32475 37 2PX 0.04656 0.08933 -0.20733 -0.11963 0.21658 38 2PY -0.15800 0.05248 -0.41140 0.00834 0.21240 39 2PZ 0.15138 -0.08374 0.50879 0.14560 -0.32060 40 3S -0.51799 -0.45188 -1.39752 0.44272 -0.68207 41 3PX -0.14421 -0.06053 1.00407 0.15882 -0.50913 42 3PY 0.33368 -0.38346 1.91321 0.43638 -0.43534 43 3PZ -0.87848 0.24398 -1.78070 -0.54761 0.66747 44 4XX 0.01212 0.01702 0.00075 -0.01957 0.00489 45 4YY -0.01565 -0.02267 -0.07385 -0.00904 0.02067 46 4ZZ -0.00375 -0.00338 0.02505 -0.00442 0.02033 47 4XY -0.00713 -0.01073 0.02301 0.00041 -0.06025 48 4XZ 0.01644 -0.01260 -0.02856 0.00408 0.02685 49 4YZ 0.01604 -0.04152 -0.02399 -0.00113 0.04443 50 6 H 1S -0.02203 0.18711 0.33076 0.12596 -0.30966 51 2S -0.21119 0.14429 -1.68815 -0.54650 1.03091 52 7 C 1S 0.00194 0.00723 0.00748 0.00090 0.00314 53 2S -0.10196 0.10686 -0.08941 -0.16317 0.10040 54 2PX -0.12940 0.06484 -0.01019 -0.08876 -0.07278 55 2PY 0.17684 0.05013 -0.00862 0.09049 -0.06270 56 2PZ -0.30191 0.03969 -0.01427 -0.21682 -0.02446 57 3S 1.31922 -0.35546 0.73906 0.79968 -0.41821 58 3PX 0.67282 0.13513 0.15344 -0.31700 -0.02329 59 3PY -0.65439 -0.02221 -0.58085 -0.30856 0.34552 60 3PZ 1.45851 -0.65615 0.10437 0.98504 -0.13337 61 4XX 0.02350 -0.03794 -0.02417 0.01851 -0.00927 62 4YY -0.02313 0.00526 0.06648 -0.02631 0.01743 63 4ZZ 0.02700 0.05429 -0.03687 -0.00006 -0.00837 64 4XY 0.02872 -0.01267 -0.03644 0.01211 0.01131 65 4XZ -0.02592 0.01192 -0.00304 -0.00969 -0.01865 66 4YZ -0.00494 0.00141 0.02499 0.01329 -0.01377 67 8 H 1S -0.12887 -0.00641 0.09362 -0.03742 0.09447 68 2S 0.41354 0.07163 -0.04067 0.15929 -0.23327 69 9 C 1S -0.00420 -0.02744 -0.01104 0.00271 0.00153 70 2S 0.03650 0.15812 0.09070 -0.01938 -0.21501 71 2PX 0.44347 -0.14631 -0.10359 -0.52907 -0.14352 72 2PY 0.27052 0.00819 -0.08185 0.16920 -0.08340 73 2PZ -0.19335 -0.03763 0.05209 -0.28762 -0.07843 74 3S -0.28443 0.53511 -0.55587 -0.23381 0.69241 75 3PX -1.75986 0.16299 0.19829 1.46296 0.22702 76 3PY -1.12699 0.41284 0.23453 -0.90676 0.27289 77 3PZ 1.14831 0.00046 -0.22327 1.25848 0.15854 78 4XX -0.01208 -0.05676 -0.00729 -0.00088 -0.03150 79 4YY 0.02298 0.07268 -0.00061 0.01260 -0.01342 80 4ZZ -0.01968 0.00387 -0.00277 -0.01600 0.02284 81 4XY -0.00132 0.00785 0.00341 0.01745 0.00906 82 4XZ 0.03427 -0.05683 0.02084 0.05657 -0.00067 83 4YZ 0.00532 -0.03143 0.00386 0.00886 0.02801 84 10 H 1S -0.04137 -0.35068 0.07817 0.18865 0.05106 85 2S 0.37741 0.12653 -0.04881 -1.11248 -0.41088 86 11 H 1S -0.04820 -0.26680 -0.07552 -0.13849 -0.10268 87 2S -0.75482 -0.01090 0.30019 0.96051 0.00774 88 12 C 1S 0.00425 -0.02738 0.01108 -0.00285 0.00147 89 2S -0.03676 0.15813 -0.09044 0.01908 -0.21303 90 2PX -0.44496 -0.14967 0.10382 0.52703 -0.14726 91 2PY 0.27012 -0.00871 -0.08184 0.16906 0.08242 92 2PZ 0.19337 -0.03927 -0.05176 0.28762 -0.07610 93 3S 0.28345 0.53381 0.55324 0.24022 0.68268 94 3PX 1.76297 0.17339 -0.19883 -1.45888 0.23505 95 3PY -1.12481 -0.41149 0.23558 -0.90758 -0.27283 96 3PZ -1.14770 0.00554 0.22276 -1.26094 0.15211 97 4XX 0.01210 -0.05659 0.00749 0.00048 -0.03146 98 4YY -0.02302 0.07260 0.00052 -0.01246 -0.01310 99 4ZZ 0.01971 0.00383 0.00265 0.01622 0.02252 100 4XY -0.00126 -0.00791 0.00340 0.01742 -0.00939 101 4XZ -0.03401 -0.05668 -0.02078 -0.05674 -0.00014 102 4YZ 0.00499 0.03144 0.00383 0.00876 -0.02739 103 13 H 1S 0.04814 -0.26725 0.07609 0.13635 -0.10436 104 2S 0.75612 -0.00589 -0.29969 -0.95955 0.01806 105 14 H 1S 0.04226 -0.34960 -0.07743 -0.18945 0.05253 106 2S -0.37946 0.11983 0.04930 1.11045 -0.41089 107 15 C 1S 0.00553 0.01306 -0.00613 0.01819 -0.01106 108 2S -0.01032 -0.08886 0.07031 -0.16398 0.50893 109 2PX 0.15976 -0.04949 0.02565 -0.00077 0.05763 110 2PY -0.21304 0.00230 -0.25633 0.16908 -0.25836 111 2PZ 0.22293 0.06453 -0.29134 0.28245 -0.26125 112 3S 0.49649 0.22625 0.51369 -0.15057 -1.11590 113 3PX -0.46843 0.01189 -0.27039 0.03992 -0.20968 114 3PY 0.67182 -0.03508 1.14350 -0.74835 0.63742 115 3PZ -0.70065 -0.10567 1.05240 -0.96482 0.65789 116 4XX 0.00822 0.04434 0.01352 -0.03281 0.03611 117 4YY 0.03568 -0.02121 0.04283 -0.02822 0.02250 118 4ZZ -0.02538 0.01334 -0.01397 0.03300 0.01197 119 4XY -0.00233 0.00445 0.00567 -0.00756 0.06119 120 4XZ 0.00373 -0.06528 0.00807 -0.00148 0.00488 121 4YZ -0.01163 0.03932 -0.01744 0.02249 -0.06378 122 16 H 1S -0.08125 0.10549 -0.17436 0.29693 -0.25810 123 2S -0.10021 -0.29346 1.03408 -1.01093 1.13416 124 17 C 1S -0.00558 0.01310 0.00604 -0.01812 -0.01112 125 2S 0.01097 -0.09023 -0.07051 0.16370 0.50771 126 2PX -0.16050 -0.04935 -0.02473 0.00008 0.05680 127 2PY -0.21276 -0.00356 -0.25687 0.16947 0.25799 128 2PZ -0.22419 0.06675 0.29161 -0.28219 -0.26234 129 3S -0.49636 0.22562 -0.51267 0.15159 -1.11197 130 3PX 0.46990 0.01267 0.26908 -0.03880 -0.20733 131 3PY 0.67127 0.04110 1.14594 -0.74995 -0.64036 132 3PZ 0.70405 -0.11320 -1.05109 0.96358 0.66145 133 4XX -0.00817 0.04406 -0.01366 0.03301 0.03617 134 4YY -0.03554 -0.02130 -0.04280 0.02812 0.02229 135 4ZZ 0.02520 0.01327 0.01389 -0.03291 0.01208 136 4XY -0.00269 -0.00429 0.00550 -0.00743 -0.06105 137 4XZ -0.00351 -0.06522 -0.00785 0.00097 0.00473 138 4YZ -0.01171 -0.03954 -0.01753 0.02239 0.06392 139 18 H 1S 0.08057 0.10677 0.17381 -0.29603 -0.25868 140 2S 0.10236 -0.30039 -1.03390 1.00951 1.13608 141 19 O 1S -0.00234 0.00791 0.00258 -0.00553 0.01244 142 2S 0.06300 -0.25657 0.07363 -0.04201 0.02717 143 2PX 0.06054 0.11501 0.02342 -0.03428 0.04194 144 2PY -0.03985 0.16512 -0.01488 -0.05982 0.12095 145 2PZ 0.06631 -0.17168 0.01531 -0.05758 0.02522 146 3S -0.00369 0.07148 -0.34766 0.21210 -0.26309 147 3PX 0.04215 -0.21869 -0.09147 0.12848 -0.10860 148 3PY 0.00191 -0.33441 -0.07939 0.14654 -0.35006 149 3PZ 0.01079 0.08068 -0.06621 0.11013 -0.06721 150 4XX 0.02113 -0.09698 0.02569 0.00524 0.02675 151 4YY 0.00189 -0.08507 0.00201 -0.01540 -0.02995 152 4ZZ 0.02939 -0.06045 0.03131 -0.02698 0.02940 153 4XY -0.00176 0.04613 -0.02091 0.02531 -0.00418 154 4XZ -0.01740 0.02518 -0.00446 0.02164 -0.01481 155 4YZ 0.00603 -0.01663 0.00432 -0.00006 0.01249 156 20 O 1S 0.00238 0.00787 -0.00257 0.00555 0.01244 157 2S -0.06255 -0.25696 -0.07286 0.04044 0.02663 158 2PX -0.06087 0.11464 -0.02370 0.03479 0.04278 159 2PY -0.04047 -0.16443 -0.01459 -0.06107 -0.12147 160 2PZ -0.06613 -0.17216 -0.01494 0.05656 0.02595 161 3S 0.00249 0.07330 0.34638 -0.21108 -0.26353 162 3PX -0.04174 -0.21767 0.09162 -0.12952 -0.10971 163 3PY 0.00274 0.33308 -0.07991 0.14874 0.35096 164 3PZ -0.01078 0.08181 0.06603 -0.10965 -0.06815 165 4XX -0.02113 -0.09695 -0.02543 -0.00582 0.02674 166 4YY -0.00191 -0.08528 -0.00183 0.01495 -0.03009 167 4ZZ -0.02899 -0.06055 -0.03101 0.02647 0.02899 168 4XY -0.00185 -0.04635 -0.02078 0.02504 0.00431 169 4XZ 0.01728 0.02517 0.00437 -0.02144 -0.01464 170 4YZ 0.00587 0.01655 0.00428 0.00007 -0.01256 171 21 C 1S 0.00008 -0.03051 0.00004 -0.00005 0.01445 172 2S 0.00017 -0.59680 0.00093 -0.00203 -0.09388 173 2PX 0.00126 -0.17578 -0.00015 -0.00035 0.01047 174 2PY -0.01729 0.00000 0.01736 0.05018 -0.00010 175 2PZ 0.00081 -0.18824 0.00009 -0.00077 -0.07998 176 3S -0.00010 1.37898 -0.00215 0.00480 0.35952 177 3PX -0.00203 0.66885 0.00047 0.00167 0.14500 178 3PY 0.02806 -0.00008 -0.07677 -0.08527 0.00091 179 3PZ -0.00252 0.38177 0.00026 0.00115 -0.06891 180 4XX 0.00027 0.03383 0.00001 0.00006 0.00603 181 4YY 0.00015 -0.03078 0.00008 -0.00011 0.02718 182 4ZZ -0.00024 -0.08749 0.00004 -0.00017 -0.00005 183 4XY -0.00196 -0.00002 0.00514 0.02283 -0.00014 184 4XZ 0.00010 -0.00031 0.00000 0.00003 0.04129 185 4YZ -0.01321 0.00011 0.00650 -0.01568 -0.00014 186 22 H 1S 0.00145 0.03503 0.00015 0.00026 0.07697 187 2S -0.00283 -0.04142 0.00084 -0.00044 -0.07056 188 23 H 1S -0.00037 -0.26636 -0.00005 -0.00002 0.15196 189 2S 0.00261 -0.39482 0.00025 -0.00200 -0.15717 96 97 98 99 100 V V V V V Eigenvalues -- 0.88446 0.88520 0.88709 0.89806 0.91381 1 1 C 1S 0.00321 -0.02127 -0.02359 0.01636 0.00618 2 2S -0.19587 0.36167 0.21128 -0.23003 -0.11124 3 2PX 0.06377 -0.12346 0.11781 0.05349 -0.02068 4 2PY 0.24611 -0.60467 -0.14385 0.23466 0.26404 5 2PZ -0.05273 0.11651 -0.21336 0.06482 -0.02639 6 3S -0.07031 0.00775 -1.22347 0.36718 0.31519 7 3PX -0.24204 0.86781 -0.94696 0.23287 -0.03400 8 3PY -0.82783 1.82130 0.14085 -0.78763 -0.44801 9 3PZ 0.12594 -0.92863 1.13507 -0.41714 0.33354 10 4XX -0.02422 0.06319 0.01724 -0.05974 -0.03332 11 4YY 0.01342 -0.07630 -0.04780 0.01918 0.04419 12 4ZZ -0.03269 0.05842 0.02190 0.01083 -0.02954 13 4XY -0.01055 0.03059 -0.04825 0.01345 -0.00589 14 4XZ 0.02468 -0.02637 0.00800 0.03227 0.00721 15 4YZ 0.03640 -0.05225 0.02165 -0.00058 0.01775 16 2 H 1S 0.15375 -0.39215 -0.18985 0.22945 0.27840 17 2S -0.67449 1.57010 0.50711 -0.76899 -0.58726 18 3 C 1S -0.01239 -0.00182 -0.00688 -0.00837 -0.00500 19 2S -0.10654 0.09264 0.11950 0.22231 -0.10160 20 2PX 0.23424 -0.17356 0.33191 0.08875 -0.06189 21 2PY -0.09791 -0.11385 0.16743 -0.19136 0.06291 22 2PZ -0.27182 0.18879 -0.27563 -0.25418 -0.00525 23 3S 0.17723 -1.04741 -0.04522 -0.90206 0.45944 24 3PX -0.67674 1.26487 -1.37716 -0.30665 -0.05083 25 3PY 0.23149 0.63282 -1.08846 0.73844 -0.14359 26 3PZ 0.72385 -1.19619 1.13024 0.66987 0.09026 27 4XX 0.00066 -0.02093 0.02336 0.04766 0.01920 28 4YY -0.02702 0.01955 -0.00998 -0.00910 -0.01476 29 4ZZ 0.02396 -0.01950 0.01876 -0.00784 -0.02185 30 4XY 0.03437 0.00960 0.02979 0.00222 -0.02176 31 4XZ 0.02540 0.03989 -0.00133 0.00094 -0.00505 32 4YZ -0.03847 -0.00581 -0.02841 0.00364 -0.01493 33 4 H 1S -0.17232 0.01232 -0.15545 0.01126 0.02035 34 2S 0.75820 -0.43575 0.72781 0.78722 -0.07230 35 5 C 1S -0.01243 0.00049 0.00718 -0.00843 -0.00498 36 2S -0.09497 -0.11204 -0.11872 0.22297 -0.10260 37 2PX 0.20513 0.19779 -0.33687 0.09068 -0.06215 38 2PY 0.11443 -0.10408 0.16421 0.19074 -0.06370 39 2PZ -0.24148 -0.21571 0.28155 -0.25566 -0.00500 40 3S 0.03995 1.07473 0.04561 -0.89952 0.46089 41 3PX -0.48910 -1.33000 1.39027 -0.31728 -0.05044 42 3PY -0.32617 0.60434 -1.07983 -0.73289 0.14800 43 3PZ 0.54836 1.26357 -1.14423 0.67717 0.09004 44 4XX -0.00217 0.02049 -0.02330 0.04785 0.01916 45 4YY -0.02439 -0.02311 0.01049 -0.00922 -0.01489 46 4ZZ 0.02108 0.02203 -0.01939 -0.00768 -0.02186 47 4XY -0.03487 0.00633 0.03068 -0.00221 0.02180 48 4XZ 0.03014 -0.03665 0.00075 0.00084 -0.00508 49 4YZ 0.03840 -0.00177 -0.02920 -0.00356 0.01493 50 6 H 1S -0.16719 -0.02936 0.16033 0.01032 0.02083 51 2S 0.68584 0.50754 -0.74377 0.79239 -0.07482 52 7 C 1S 0.00089 0.02137 0.02361 0.01640 0.00615 53 2S -0.15183 -0.38388 -0.20965 -0.23107 -0.11140 54 2PX 0.04618 0.13133 -0.11726 0.05398 -0.01934 55 2PY -0.17040 -0.62811 -0.14047 -0.23706 -0.26355 56 2PZ -0.03418 -0.12305 0.21412 0.06276 -0.02696 57 3S -0.04751 -0.01042 1.22659 0.36511 0.31437 58 3PX -0.11548 -0.89116 0.94986 0.22696 -0.03749 59 3PY 0.59310 1.89699 0.13201 0.79609 0.44618 60 3PZ -0.00876 0.94275 -1.13522 -0.40524 0.33653 61 4XX -0.01656 -0.06549 -0.01668 -0.05987 -0.03343 62 4YY 0.00470 0.07748 0.04724 0.01943 0.04421 63 4ZZ -0.02536 -0.06221 -0.02126 0.01057 -0.02956 64 4XY 0.00567 0.03132 -0.04854 -0.01325 0.00560 65 4XZ 0.02109 0.02949 -0.00826 0.03225 0.00745 66 4YZ -0.02911 -0.05593 0.02247 0.00031 -0.01759 67 8 H 1S 0.10638 0.40637 0.18672 0.23064 0.27815 68 2S -0.47970 -1.63473 -0.49701 -0.77462 -0.58654 69 9 C 1S -0.00452 0.00077 0.00614 -0.00795 0.01275 70 2S -0.24629 -0.12467 -0.07118 0.11575 0.04820 71 2PX -0.16004 0.00685 0.31511 0.45760 0.26122 72 2PY -0.05888 0.03900 -0.17598 -0.02565 -0.05490 73 2PZ -0.19496 -0.25288 0.06830 0.10608 -0.08715 74 3S 0.62816 0.55828 0.29749 0.28268 -0.28291 75 3PX 0.11777 -0.04745 -0.62687 -0.86009 -0.44317 76 3PY 0.14103 -0.60337 0.90984 0.15771 -0.14874 77 3PZ 0.17763 0.90733 -0.51489 -0.34647 0.06821 78 4XX -0.02666 -0.02035 0.02360 0.00398 0.02421 79 4YY -0.04010 -0.00931 -0.01643 0.03689 -0.02473 80 4ZZ 0.01820 0.02214 -0.00704 -0.01705 0.01572 81 4XY 0.07013 -0.00698 -0.01471 -0.01021 -0.01557 82 4XZ 0.01388 -0.00900 -0.03632 -0.07597 -0.01104 83 4YZ 0.05559 0.05228 -0.00058 0.00341 0.02977 84 10 H 1S 0.31441 0.03630 -0.13793 -0.28617 0.11442 85 2S -0.60497 -0.40735 0.36410 0.78075 0.15539 86 11 H 1S -0.21284 -0.05940 0.24534 0.08240 0.20494 87 2S 0.09192 -0.20581 -0.71181 -0.71793 -0.27083 88 12 C 1S -0.00446 -0.00129 -0.00611 -0.00792 0.01275 89 2S -0.25933 0.09540 0.07645 0.11588 0.04861 90 2PX -0.16564 -0.02758 -0.30931 0.45789 0.25958 91 2PY 0.05086 0.04473 -0.17781 0.02681 0.05511 92 2PZ -0.22717 0.22694 -0.06440 0.10803 -0.08729 93 3S 0.69064 -0.48551 -0.31215 0.28188 -0.28251 94 3PX 0.12943 0.06322 0.61945 -0.85747 -0.44013 95 3PY -0.04903 -0.61083 0.91300 -0.16496 0.14710 96 3PZ 0.29859 -0.87836 0.51091 -0.35561 0.06843 97 4XX -0.02944 0.01716 -0.02286 0.00441 0.02397 98 4YY -0.04057 0.00415 0.01718 0.03685 -0.02462 99 4ZZ 0.02089 -0.01968 0.00645 -0.01743 0.01596 100 4XY -0.06900 -0.01584 -0.01335 0.01034 0.01552 101 4XZ 0.01343 0.01109 0.03586 -0.07614 -0.01074 102 4YZ -0.06191 0.04513 0.00066 -0.00312 -0.02986 103 13 H 1S -0.22331 0.03272 -0.24034 0.08427 0.20333 104 2S 0.08265 0.21873 0.70742 -0.71822 -0.26749 105 14 H 1S 0.32038 0.00498 0.13078 -0.28685 0.11530 106 2S -0.66266 0.32934 -0.34790 0.78310 0.15215 107 15 C 1S 0.00192 0.00522 0.00756 0.00500 0.00010 108 2S -0.39337 0.05464 -0.24864 -0.04338 -0.02120 109 2PX 0.07725 0.03640 0.00659 -0.06968 -0.09956 110 2PY 0.18074 -0.05322 0.09025 0.09609 0.06943 111 2PZ 0.28538 0.04283 0.37334 -0.00143 0.07427 112 3S 0.98250 -0.33568 0.65724 0.07797 0.08761 113 3PX -0.02590 -0.06418 0.00187 0.17620 0.23632 114 3PY -0.44401 -0.21449 -0.25223 -0.22400 -0.08154 115 3PZ -0.50637 -0.16030 -1.04536 -0.11517 -0.15016 116 4XX -0.03023 0.00235 -0.03116 -0.00706 -0.01450 117 4YY -0.01610 0.00095 -0.01778 0.01756 0.00754 118 4ZZ -0.01371 -0.00187 0.01031 -0.02265 0.00087 119 4XY -0.04713 0.00276 -0.00200 -0.00814 -0.01540 120 4XZ -0.02090 0.00361 -0.01004 0.02432 -0.03485 121 4YZ 0.06410 0.00947 0.02065 -0.02716 -0.00864 122 16 H 1S 0.25083 0.00904 0.27717 -0.07607 -0.00245 123 2S -0.92433 -0.10976 -0.95517 -0.06765 -0.14554 124 17 C 1S 0.00247 -0.00481 -0.00748 0.00497 0.00013 125 2S -0.37879 -0.11030 0.25157 -0.04383 -0.02192 126 2PX 0.08126 -0.02696 -0.00910 -0.06994 -0.09924 127 2PY -0.17189 -0.07919 0.09190 -0.09740 -0.06915 128 2PZ 0.28179 -0.00300 -0.37717 -0.00090 0.07429 129 3S 0.91908 0.47190 -0.66587 0.07995 0.08796 130 3PX -0.03461 0.06293 0.00182 0.17651 0.23658 131 3PY 0.46489 -0.14839 -0.25673 0.22574 0.08128 132 3PZ -0.50464 0.08627 1.05012 -0.11536 -0.15293 133 4XX -0.02927 -0.00677 0.03144 -0.00719 -0.01459 134 4YY -0.01539 -0.00323 0.01793 0.01732 0.00753 135 4ZZ -0.01401 0.00006 -0.01029 -0.02236 0.00085 136 4XY 0.04634 0.00940 -0.00216 0.00812 0.01547 137 4XZ -0.01995 -0.00640 0.01037 0.02413 -0.03463 138 4YZ -0.06440 0.00033 0.02146 0.02712 0.00876 139 18 H 1S 0.24571 0.02646 -0.28005 -0.07472 -0.00299 140 2S -0.91487 -0.02322 0.96365 -0.06980 -0.14614 141 19 O 1S -0.00677 -0.00144 -0.00074 -0.00210 -0.00070 142 2S -0.00177 0.05254 -0.03018 0.01613 -0.15002 143 2PX -0.03378 -0.01281 -0.04307 -0.03413 -0.00866 144 2PY -0.08266 -0.05627 -0.00123 -0.07925 0.21799 145 2PZ -0.00071 -0.01280 -0.07992 0.00901 0.02325 146 3S 0.09478 -0.03123 0.20354 0.09930 0.12750 147 3PX -0.00691 0.02967 0.07876 0.10960 0.15058 148 3PY 0.22563 0.10564 0.01158 0.19109 -0.31847 149 3PZ 0.02343 0.02615 0.18136 0.02365 -0.09430 150 4XX -0.01705 0.00845 -0.00993 0.01998 -0.04638 151 4YY 0.04339 0.01309 0.00313 -0.01384 -0.03788 152 4ZZ -0.02534 0.02754 -0.01226 0.02556 -0.07811 153 4XY -0.00014 0.00694 0.01239 -0.01132 0.02720 154 4XZ 0.01982 -0.00792 0.00550 -0.01346 0.01235 155 4YZ -0.01486 0.00400 -0.00046 0.02858 -0.02705 156 20 O 1S -0.00689 0.00043 0.00073 -0.00208 -0.00074 157 2S 0.00520 -0.05302 0.03028 0.01531 -0.14971 158 2PX -0.03462 0.00770 0.04339 -0.03459 -0.00856 159 2PY 0.08905 -0.04471 -0.00086 0.07873 -0.21763 160 2PZ -0.00098 0.01187 0.08003 0.00839 0.02323 161 3S 0.08686 0.04615 -0.20253 0.10059 0.12764 162 3PX -0.00397 -0.02879 -0.07762 0.10959 0.15146 163 3PY -0.23698 0.07298 0.01136 -0.19039 0.31791 164 3PZ 0.02317 -0.02187 -0.18142 0.02442 -0.09446 165 4XX -0.01564 -0.01100 0.01016 0.01973 -0.04617 166 4YY 0.04448 -0.00722 -0.00357 -0.01382 -0.03805 167 4ZZ -0.02153 -0.03104 0.01261 0.02512 -0.07794 168 4XY -0.00061 0.00680 0.01240 0.01132 -0.02721 169 4XZ 0.01866 0.01063 -0.00577 -0.01328 0.01231 170 4YZ 0.01437 0.00611 -0.00072 -0.02862 0.02711 171 21 C 1S -0.00137 -0.00014 -0.00009 -0.01681 0.00575 172 2S 0.11446 0.00718 0.00011 0.34529 -0.95906 173 2PX -0.15805 -0.00989 0.00140 0.02445 0.45049 174 2PY -0.00145 0.01360 -0.05815 -0.00007 0.00006 175 2PZ -0.09569 -0.00600 0.00185 0.31339 -0.24968 176 3S -0.37718 -0.02429 -0.00034 -0.90403 2.60481 177 3PX 0.29717 0.01821 -0.00437 -0.21043 -0.67183 178 3PY 0.00129 0.00331 0.18110 -0.00011 0.00054 179 3PZ 0.50196 0.03275 -0.00527 -0.63960 0.15452 180 4XX 0.00018 0.00001 -0.00005 0.01001 -0.01696 181 4YY -0.02867 -0.00200 0.00020 0.05327 -0.06138 182 4ZZ 0.02656 0.00168 -0.00032 -0.06107 0.01445 183 4XY 0.00001 -0.00195 -0.01272 0.00004 -0.00005 184 4XZ -0.04068 -0.00283 0.00017 -0.00317 0.00556 185 4YZ 0.00098 -0.01884 -0.01640 0.00012 -0.00009 186 22 H 1S -0.05141 -0.00317 -0.00049 -0.12139 0.34709 187 2S 0.40948 0.02582 -0.00327 0.03937 -1.26456 188 23 H 1S -0.00463 -0.00079 -0.00118 -0.39987 0.39510 189 2S -0.32190 -0.02061 0.00556 1.09936 -0.93486 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94029 0.95122 1.00794 1.01440 1 1 C 1S 0.00657 -0.00255 0.01119 0.00775 0.00066 2 2S 0.18969 -0.44884 -0.08992 0.43354 -0.03854 3 2PX -0.19711 -0.04116 -0.30457 -0.03997 0.10210 4 2PY -0.04274 0.38580 0.15170 -0.08650 0.05227 5 2PZ 0.10023 0.01492 0.18378 -0.09808 -0.04490 6 3S -0.44512 1.17689 1.33198 -2.12276 -0.29469 7 3PX 0.90293 0.27739 1.62882 -0.83283 -0.60262 8 3PY 0.21315 -0.81335 -0.13270 0.22200 0.44360 9 3PZ -0.83713 -0.54803 -1.55633 0.50367 0.60158 10 4XX 0.03627 -0.04956 -0.00160 -0.04657 -0.04182 11 4YY 0.04189 0.00220 0.02678 0.08347 0.09362 12 4ZZ -0.04575 -0.02287 -0.00243 -0.00295 -0.06596 13 4XY -0.00971 0.02791 -0.01671 0.05910 -0.03025 14 4XZ -0.02705 0.02019 -0.07266 0.00985 -0.02954 15 4YZ -0.01715 -0.00121 -0.01106 0.04296 0.04333 16 2 H 1S 0.02948 0.19332 0.14255 0.13046 0.39266 17 2S 0.14517 -0.96743 -0.38220 0.15753 -0.14137 18 3 C 1S -0.00091 0.00628 -0.00336 0.01320 -0.01532 19 2S 0.33557 -0.25671 0.25409 0.46373 -0.49474 20 2PX 0.00560 -0.10577 -0.04285 0.12735 0.10295 21 2PY -0.06917 0.08092 -0.27289 0.27638 0.19499 22 2PZ -0.04125 0.18679 0.06738 -0.14929 0.07539 23 3S -1.22578 0.01436 -0.85600 -1.84220 1.67287 24 3PX 0.12669 0.22979 0.91385 -1.13532 -0.08881 25 3PY 0.47023 0.25930 2.07535 -2.34829 -0.98926 26 3PZ -0.06139 -0.30310 -0.84371 1.23819 -0.24850 27 4XX 0.00615 -0.01929 -0.00077 0.02112 -0.01982 28 4YY 0.01649 -0.04837 0.03732 -0.02647 -0.02326 29 4ZZ 0.02356 0.03345 -0.01372 0.06142 -0.02410 30 4XY -0.01138 -0.02300 -0.01321 -0.00524 -0.00859 31 4XZ 0.00230 -0.03624 0.03184 -0.06782 0.02808 32 4YZ 0.00770 0.08442 0.01261 0.03077 -0.05318 33 4 H 1S -0.03425 0.33014 -0.13374 0.22500 -0.25376 34 2S 0.32292 -0.57924 0.29734 0.22848 -0.46409 35 5 C 1S 0.00094 0.00625 0.00338 -0.01332 -0.01535 36 2S -0.33775 -0.25341 -0.25487 -0.46821 -0.49559 37 2PX -0.00637 -0.10595 0.04320 -0.12720 0.10279 38 2PY -0.06986 -0.07981 -0.27261 0.27501 -0.19428 39 2PZ 0.04290 0.18649 -0.06747 0.14914 0.07580 40 3S 1.22603 0.00373 0.85350 1.85947 1.67540 41 3PX -0.12517 0.23381 -0.91534 1.13439 -0.08578 42 3PY 0.46829 -0.26950 2.07108 -2.33880 0.98516 43 3PZ 0.05866 -0.30750 0.84565 -1.23847 -0.24965 44 4XX -0.00629 -0.01925 0.00076 -0.02097 -0.01976 45 4YY -0.01692 -0.04783 -0.03756 0.02595 -0.02333 46 4ZZ -0.02331 0.03330 0.01385 -0.06161 -0.02424 47 4XY -0.01111 0.02326 -0.01300 -0.00570 0.00853 48 4XZ -0.00261 -0.03594 -0.03198 0.06797 0.02819 49 4YZ 0.00704 -0.08461 0.01220 0.03131 0.05318 50 6 H 1S 0.03688 0.32912 0.13472 -0.22563 -0.25426 51 2S -0.32831 -0.57561 -0.29861 -0.22988 -0.46520 52 7 C 1S -0.00664 -0.00246 -0.01119 -0.00771 0.00074 53 2S -0.19276 -0.44862 0.08914 -0.43010 -0.03807 54 2PX 0.19651 -0.04348 0.30448 0.04131 0.10282 55 2PY -0.04470 -0.38650 0.15230 -0.08609 -0.05145 56 2PZ -0.10039 0.01498 -0.18332 0.09713 -0.04380 57 3S 0.45456 1.18191 -1.32898 2.10700 -0.29547 58 3PX -0.90067 0.28987 -1.62761 0.82715 -0.60191 59 3PY 0.21493 0.81468 -0.13740 0.22332 -0.44695 60 3PZ 0.83393 -0.55397 1.55252 -0.49652 0.59455 61 4XX -0.03659 -0.04907 0.00145 0.04629 -0.04208 62 4YY -0.04180 0.00245 -0.02671 -0.08311 0.09389 63 4ZZ 0.04555 -0.02329 0.00241 0.00322 -0.06584 64 4XY -0.00991 -0.02764 -0.01687 0.05930 0.03017 65 4XZ 0.02723 0.01968 0.07267 -0.00952 -0.02946 66 4YZ -0.01718 0.00158 -0.01099 0.04266 -0.04298 67 8 H 1S -0.02834 0.19383 -0.14237 -0.13026 0.39317 68 2S -0.15072 -0.96830 0.38171 -0.15490 -0.14043 69 9 C 1S -0.02684 -0.02124 0.01198 -0.00229 0.00034 70 2S 0.57918 -0.17364 -0.32927 -0.23286 0.47151 71 2PX 0.06450 -0.12031 0.18168 0.07934 -0.05675 72 2PY 0.27447 -0.03149 0.00205 -0.01440 0.05740 73 2PZ 0.22333 -0.13591 -0.13686 -0.09070 0.24368 74 3S -1.41771 0.74340 0.29205 0.85418 -1.37819 75 3PX -0.13328 0.30529 -0.09337 -0.66782 0.11591 76 3PY -1.15175 0.16843 -0.81291 -0.22135 -0.14740 77 3PZ 0.07681 0.05177 0.71873 0.15381 -0.08998 78 4XX -0.00387 -0.03303 0.06396 -0.02503 -0.07370 79 4YY 0.04822 0.00027 -0.01229 -0.00888 0.07115 80 4ZZ 0.00400 -0.01698 -0.09206 0.00701 0.07071 81 4XY -0.00621 0.05413 -0.03000 0.02323 -0.03564 82 4XZ -0.06429 0.00524 -0.02249 0.07102 -0.00562 83 4YZ -0.01594 -0.01506 0.00666 0.00050 0.03391 84 10 H 1S -0.50857 -0.05114 0.05819 0.23843 -0.19837 85 2S 1.05359 -0.36234 -0.10090 -0.24392 0.44840 86 11 H 1S -0.22235 -0.23262 0.43668 -0.12671 -0.24026 87 2S 0.50247 0.26210 -0.59401 -0.24347 0.60073 88 12 C 1S 0.02670 -0.02140 -0.01209 0.00232 0.00029 89 2S -0.58030 -0.16935 0.33002 0.23000 0.46993 90 2PX -0.06483 -0.12027 -0.18194 -0.07829 -0.05715 91 2PY 0.27512 0.02974 0.00158 -0.01352 -0.05765 92 2PZ -0.22366 -0.13413 0.13717 0.08969 0.24245 93 3S 1.42285 0.73132 -0.29037 -0.84860 -1.37445 94 3PX 0.13499 0.30918 0.09468 0.66540 0.11282 95 3PY -1.15324 -0.16040 -0.81335 -0.22229 0.15093 96 3PZ -0.07798 0.05202 -0.72055 -0.15176 -0.08510 97 4XX 0.00345 -0.03271 -0.06432 0.02535 -0.07394 98 4YY -0.04811 0.00053 0.01257 0.00851 0.07124 99 4ZZ -0.00401 -0.01719 0.09220 -0.00735 0.07059 100 4XY -0.00655 -0.05397 -0.03020 0.02372 0.03551 101 4XZ 0.06435 0.00429 0.02210 -0.07113 -0.00535 102 4YZ -0.01591 0.01522 0.00654 0.00030 -0.03399 103 13 H 1S 0.22075 -0.23266 -0.43825 0.12928 -0.24115 104 2S -0.50165 0.26639 0.59480 0.23577 0.59912 105 14 H 1S 0.50796 -0.05569 -0.05973 -0.23757 -0.19676 106 2S -1.05552 -0.35435 0.10190 0.24266 0.44519 107 15 C 1S -0.00273 -0.01079 -0.00756 0.01579 0.00953 108 2S 0.10827 0.13770 0.13160 0.81355 0.22085 109 2PX -0.06015 0.16694 -0.02431 0.07844 0.09973 110 2PY 0.19414 -0.15721 0.10324 0.03350 0.02879 111 2PZ -0.04615 -0.26752 -0.05823 -0.15573 -0.01253 112 3S -0.21364 -0.52731 -0.06447 -2.52050 -0.45413 113 3PX -0.08767 -0.23920 -0.23200 -0.17195 -0.29607 114 3PY -0.47951 0.38086 -0.16708 -0.52563 0.12940 115 3PZ 0.86968 0.51779 0.70216 0.65498 0.06356 116 4XX -0.00874 0.02850 0.01592 0.03434 -0.02806 117 4YY -0.01793 0.00057 -0.00431 0.01010 0.03087 118 4ZZ 0.04421 -0.01241 0.01947 0.05301 0.02120 119 4XY -0.00112 -0.05106 -0.00027 -0.00127 0.05776 120 4XZ -0.05254 0.01050 -0.03488 -0.04566 0.03880 121 4YZ 0.02746 -0.04398 0.02361 0.00568 0.03682 122 16 H 1S 0.27631 -0.18652 0.14055 0.02194 0.13941 123 2S 0.01457 0.70132 0.16057 0.71301 0.12536 124 17 C 1S 0.00266 -0.01088 0.00759 -0.01584 0.00968 125 2S -0.10634 0.13829 -0.13103 -0.81426 0.22010 126 2PX 0.06186 0.16591 0.02497 -0.07771 0.09823 127 2PY 0.19564 0.15556 0.10352 0.03315 -0.02748 128 2PZ 0.04406 -0.26779 0.05732 0.15591 -0.01294 129 3S 0.20667 -0.52913 0.06105 2.52060 -0.44559 130 3PX 0.08490 -0.23777 0.23070 0.17147 -0.29505 131 3PY -0.48179 -0.37604 -0.16699 -0.52449 -0.13812 132 3PZ -0.86650 0.52418 -0.70166 -0.65719 0.06819 133 4XX 0.00901 0.02847 -0.01585 -0.03447 -0.02803 134 4YY 0.01796 0.00014 0.00433 -0.01007 0.03121 135 4ZZ -0.04435 -0.01200 -0.01946 -0.05319 0.02135 136 4XY -0.00062 0.05105 0.00001 -0.00127 -0.05782 137 4XZ 0.05265 0.01019 0.03508 0.04569 0.03810 138 4YZ 0.02819 0.04377 0.02394 0.00548 -0.03688 139 18 H 1S -0.27838 -0.18495 -0.14114 -0.02197 0.14104 140 2S -0.00726 0.70124 -0.15801 -0.71388 0.12688 141 19 O 1S 0.00952 -0.00335 0.00859 0.00798 -0.00259 142 2S 0.01626 0.02278 -0.14145 0.09412 0.01708 143 2PX 0.13656 -0.00560 -0.10149 -0.01834 -0.06857 144 2PY 0.01858 -0.14691 0.11209 0.05932 0.12685 145 2PZ 0.04522 0.05068 -0.21547 -0.06295 -0.01959 146 3S -0.33811 -0.02680 0.05061 -0.15536 0.12818 147 3PX -0.38639 -0.03290 -0.11392 0.00580 0.11206 148 3PY -0.05637 0.16111 -0.18401 -0.08503 -0.11985 149 3PZ 0.00626 -0.08099 0.32916 0.00307 0.04940 150 4XX 0.01964 0.00608 -0.07366 0.04029 0.00281 151 4YY 0.03578 0.02165 -0.00342 0.06413 -0.00308 152 4ZZ -0.03842 0.00251 -0.02748 -0.00593 0.00278 153 4XY 0.01729 -0.00609 0.00535 0.01232 -0.04031 154 4XZ 0.00843 0.02930 0.01722 -0.04137 -0.00392 155 4YZ -0.00034 -0.02003 -0.00114 -0.02096 0.01877 156 20 O 1S -0.00956 -0.00328 -0.00864 -0.00802 -0.00261 157 2S -0.01612 0.02228 0.14162 -0.09507 0.01383 158 2PX -0.13694 -0.00506 0.10042 0.01796 -0.06624 159 2PY 0.02001 0.14664 0.11272 0.05879 -0.12959 160 2PZ -0.04467 0.05088 0.21541 0.06439 -0.01949 161 3S 0.33839 -0.02792 -0.04949 0.15698 0.13476 162 3PX 0.38662 -0.03566 0.11533 -0.00495 0.10754 163 3PY -0.05780 -0.16072 -0.18520 -0.08409 0.12475 164 3PZ -0.00708 -0.08058 -0.32898 -0.00550 0.04963 165 4XX -0.01961 0.00591 0.07377 -0.04086 0.00193 166 4YY -0.03562 0.02173 0.00355 -0.06422 -0.00362 167 4ZZ 0.03844 0.00224 0.02753 0.00564 0.00113 168 4XY 0.01745 0.00586 0.00567 0.01211 0.04026 169 4XZ -0.00819 0.02941 -0.01709 0.04142 -0.00369 170 4YZ -0.00038 0.02009 -0.00114 -0.02139 -0.01872 171 21 C 1S 0.00001 0.00221 0.00002 0.00000 0.03072 172 2S 0.00064 -0.06398 0.00175 0.00098 0.54777 173 2PX -0.00095 -0.13780 -0.00080 -0.00071 -0.00708 174 2PY -0.01822 0.00013 -0.11487 -0.01184 0.00094 175 2PZ 0.00027 0.00194 0.00049 0.00048 -0.00335 176 3S -0.00261 -0.06990 -0.00511 -0.00236 -1.11996 177 3PX 0.00030 -0.08449 0.00015 0.00204 -0.03124 178 3PY 0.12172 -0.00128 0.44942 -0.05077 -0.00286 179 3PZ 0.00108 0.31946 -0.00007 -0.00079 -0.07542 180 4XX -0.00004 -0.01126 -0.00002 0.00030 -0.00434 181 4YY -0.00017 -0.05703 0.00006 0.00019 0.05963 182 4ZZ 0.00022 0.04842 0.00010 -0.00026 0.04970 183 4XY 0.04028 -0.00007 -0.04886 0.01244 -0.00004 184 4XZ -0.00010 -0.02227 -0.00013 -0.00030 0.00591 185 4YZ 0.02862 -0.00016 -0.01799 0.01848 -0.00041 186 22 H 1S -0.00085 -0.15614 -0.00084 -0.00004 0.00077 187 2S 0.00165 0.13984 0.00211 0.00138 0.32724 188 23 H 1S -0.00012 0.09046 -0.00044 -0.00160 0.13793 189 2S -0.00028 -0.37425 0.00169 0.00334 0.11173 106 107 108 109 110 V V V V V Eigenvalues -- 1.02298 1.02721 1.09206 1.09919 1.11415 1 1 C 1S -0.01106 0.00052 0.01197 -0.02081 -0.01136 2 2S -0.20391 0.22088 -0.12408 -0.82602 0.05767 3 2PX -0.13565 0.12000 0.05043 -0.03487 0.00622 4 2PY 0.06636 0.10475 0.05058 0.03817 -0.11110 5 2PZ -0.01929 -0.06859 0.05488 0.10181 -0.05867 6 3S 0.96544 -1.02718 0.36757 2.74768 -0.53233 7 3PX 0.49509 -0.72658 0.16275 0.40381 -0.17727 8 3PY -0.01768 -0.03054 -0.36209 0.62019 0.13399 9 3PZ -0.26076 0.58384 -0.38423 -0.35404 0.16346 10 4XX 0.00481 -0.01526 0.03866 0.02422 -0.01706 11 4YY -0.01079 0.04079 -0.02384 -0.02285 0.02746 12 4ZZ -0.02227 -0.01522 -0.00661 -0.09218 -0.01669 13 4XY 0.00836 0.00129 0.00908 -0.02547 0.03074 14 4XZ -0.01019 0.01614 -0.02342 -0.01885 0.03508 15 4YZ -0.00543 0.00427 0.00448 -0.02561 0.05505 16 2 H 1S -0.03742 0.12668 -0.04996 0.10842 -0.09488 17 2S -0.20857 0.00647 -0.25498 -0.29356 0.19180 18 3 C 1S 0.00452 -0.01311 0.00856 0.01557 -0.01725 19 2S 0.29671 -0.43900 0.30248 0.56383 -0.48764 20 2PX 0.02314 -0.00662 -0.01935 -0.08106 0.10475 21 2PY 0.00023 0.15722 0.03468 0.01706 -0.00843 22 2PZ 0.01084 0.05220 0.01790 0.12119 0.00909 23 3S -1.19219 1.78918 -0.83688 -1.78301 0.98342 24 3PX 0.09614 -0.19666 0.11170 0.69277 -0.27245 25 3PY 0.21713 -0.73050 0.17792 0.13952 -0.16673 26 3PZ -0.22849 0.10711 -0.03597 -0.69852 0.04782 27 4XX -0.00128 0.00934 -0.00582 -0.00583 -0.04621 28 4YY 0.00534 -0.04069 0.00547 0.09236 -0.05723 29 4ZZ 0.02809 -0.03253 0.03363 -0.01839 0.05679 30 4XY -0.00565 0.01968 -0.00417 -0.08288 0.01819 31 4XZ -0.00403 0.00955 -0.01798 -0.01972 0.02811 32 4YZ 0.01060 -0.04174 0.00514 -0.01676 0.01888 33 4 H 1S 0.03590 -0.04402 0.08603 -0.10206 -0.02596 34 2S 0.14746 -0.35112 0.09922 -0.10612 -0.16527 35 5 C 1S -0.00453 -0.01296 -0.00830 0.01558 -0.01728 36 2S -0.29841 -0.43280 -0.29239 0.56430 -0.48776 37 2PX -0.02389 -0.00546 0.01792 -0.08166 0.10446 38 2PY 0.00004 -0.15870 0.03435 -0.01738 0.00873 39 2PZ -0.01069 0.05124 -0.01631 0.12204 0.00933 40 3S 1.19963 1.76416 0.80859 -1.77790 0.98362 41 3PX -0.09849 -0.20425 -0.10073 0.69971 -0.27374 42 3PY 0.21624 0.74252 0.17680 -0.14758 0.16264 43 3PZ 0.23250 0.11455 0.02535 -0.70515 0.05107 44 4XX 0.00163 0.00952 0.00593 -0.00611 -0.04640 45 4YY -0.00580 -0.04090 -0.00389 0.09252 -0.05718 46 4ZZ -0.02825 -0.03176 -0.03413 -0.01825 0.05694 47 4XY -0.00604 -0.01949 -0.00274 0.08258 -0.01812 48 4XZ 0.00386 0.00902 0.01767 -0.01960 0.02807 49 4YZ 0.01047 0.04134 0.00573 0.01721 -0.01933 50 6 H 1S -0.03376 -0.04181 -0.08831 -0.10317 -0.02406 51 2S -0.14799 -0.34774 -0.10015 -0.10754 -0.16445 52 7 C 1S 0.01110 0.00049 -0.01230 -0.02070 -0.01140 53 2S 0.20766 0.22135 0.11127 -0.82768 0.05670 54 2PX 0.13632 0.11843 -0.05122 -0.03310 0.00513 55 2PY 0.06562 -0.10402 0.04999 -0.04035 0.11236 56 2PZ 0.01927 -0.06942 -0.05354 0.10247 -0.05783 57 3S -0.97781 -1.03205 -0.32232 2.75627 -0.53223 58 3PX -0.49849 -0.72753 -0.15745 0.40682 -0.17668 59 3PY -0.01322 0.02621 -0.37389 -0.60943 -0.13603 60 3PZ 0.26048 0.58304 0.38112 -0.36015 0.15821 61 4XX -0.00487 -0.01557 -0.03828 0.02482 -0.01696 62 4YY 0.01060 0.04121 0.02352 -0.02351 0.02727 63 4ZZ 0.02279 -0.01545 0.00520 -0.09201 -0.01677 64 4XY 0.00806 -0.00190 0.00955 0.02563 -0.03112 65 4XZ 0.01057 0.01617 0.02301 -0.01926 0.03555 66 4YZ -0.00513 -0.00425 0.00519 0.02562 -0.05506 67 8 H 1S 0.03572 0.12728 0.05235 0.10699 -0.09571 68 2S 0.20959 0.00634 0.25040 -0.29924 0.19377 69 9 C 1S 0.00744 0.00464 0.01174 0.00034 -0.01176 70 2S 0.10087 -0.35673 -0.24727 -0.10765 -0.32276 71 2PX 0.06280 0.01746 0.07637 -0.16513 0.13871 72 2PY 0.06339 -0.23765 -0.11611 -0.08522 -0.03006 73 2PZ 0.05588 -0.26391 -0.10691 -0.06339 -0.03573 74 3S -0.34219 0.97711 0.33329 0.06891 0.78292 75 3PX 0.04559 -0.02235 -0.45461 0.24630 -0.42553 76 3PY -0.19095 0.39518 0.34321 0.18323 0.19256 77 3PZ -0.14994 0.59474 0.32767 0.51359 0.13051 78 4XX 0.01683 0.01542 0.02899 -0.01063 -0.01837 79 4YY 0.00371 -0.03568 -0.02032 -0.00061 -0.04213 80 4ZZ 0.00438 -0.02524 -0.03150 -0.00539 0.00568 81 4XY -0.01223 -0.11387 -0.01287 -0.09010 -0.03005 82 4XZ -0.01832 -0.01758 -0.02178 0.02396 -0.05833 83 4YZ -0.00542 0.01921 0.02042 0.04145 0.05638 84 10 H 1S -0.06391 0.07317 0.17665 -0.05158 -0.00884 85 2S 0.28114 -0.47185 -0.23235 -0.37755 -0.01616 86 11 H 1S 0.07343 0.43352 0.29417 0.13947 0.09266 87 2S 0.08556 -1.12867 -0.88092 -0.22186 -0.75676 88 12 C 1S -0.00743 0.00470 -0.01159 0.00044 -0.01160 89 2S -0.10842 -0.35604 0.24914 -0.11194 -0.31887 90 2PX -0.06205 0.01889 -0.07950 -0.16427 0.13914 91 2PY 0.06632 0.23725 -0.11545 0.08699 0.02950 92 2PZ -0.06053 -0.26297 0.10653 -0.06524 -0.03408 93 3S 0.36538 0.97607 -0.34355 0.07496 0.76898 94 3PX -0.04638 -0.02868 0.45990 0.23995 -0.42764 95 3PY -0.19706 -0.39131 0.34385 -0.19197 -0.19031 96 3PZ 0.15556 0.59298 -0.31939 0.52101 0.12506 97 4XX -0.01624 0.01524 -0.02906 -0.01038 -0.01836 98 4YY -0.00461 -0.03548 0.02063 -0.00075 -0.04178 99 4ZZ -0.00512 -0.02504 0.03158 -0.00597 0.00582 100 4XY -0.01147 0.11390 -0.01188 0.09030 0.03017 101 4XZ 0.01811 -0.01701 0.02230 0.02371 -0.05772 102 4YZ -0.00521 -0.01914 0.01981 -0.04179 -0.05638 103 13 H 1S -0.06757 0.43261 -0.29280 0.14336 0.09161 104 2S -0.10142 -1.12848 0.88318 -0.23589 -0.75121 105 14 H 1S 0.06597 0.07386 -0.17706 -0.04983 -0.00786 106 2S -0.28943 -0.46886 0.22825 -0.38275 -0.01172 107 15 C 1S -0.01060 -0.00077 0.00470 0.00899 0.01459 108 2S 0.10570 0.04103 -0.08760 -0.21014 0.33045 109 2PX 0.18601 0.06235 -0.06280 -0.13851 0.16806 110 2PY 0.18726 -0.06904 0.01276 -0.00815 0.05723 111 2PZ -0.04785 -0.09536 -0.13339 0.01408 0.05960 112 3S -1.28378 -0.22950 0.37871 0.44859 -0.05388 113 3PX -0.36571 -0.03764 -0.16621 -0.21880 -0.43240 114 3PY -1.23256 0.19169 0.21598 0.03736 -0.34119 115 3PZ -0.10749 0.17169 1.10100 0.11319 -0.13446 116 4XX -0.01121 0.00972 -0.04047 0.05168 -0.02866 117 4YY -0.01941 -0.00784 0.00354 -0.05458 0.04740 118 4ZZ -0.02241 0.00416 0.05037 0.04357 0.02850 119 4XY 0.00673 0.01570 -0.01333 -0.01714 0.01445 120 4XZ 0.07211 -0.01542 -0.01447 0.01277 -0.00869 121 4YZ -0.00002 0.04917 0.00184 -0.05361 -0.08908 122 16 H 1S -0.07800 -0.00116 0.24559 0.08508 -0.02639 123 2S -0.14339 0.16746 0.29799 -0.04712 -0.02422 124 17 C 1S 0.01050 -0.00076 -0.00457 0.00910 0.01454 125 2S -0.10682 0.04646 0.08494 -0.21134 0.32791 126 2PX -0.18612 0.06456 0.06091 -0.13972 0.16830 127 2PY 0.18801 0.06734 0.01299 0.00757 -0.05633 128 2PZ 0.04690 -0.09653 0.13390 0.01244 0.05958 129 3S 1.28417 -0.25680 -0.37471 0.45021 -0.03863 130 3PX 0.36774 -0.04185 0.16335 -0.21854 -0.43891 131 3PY -1.23356 -0.17660 0.21604 -0.03895 0.33335 132 3PZ 0.10640 0.17304 -1.09917 0.12516 -0.13175 133 4XX 0.01135 0.00979 0.04171 0.05102 -0.02840 134 4YY 0.01916 -0.00779 -0.00435 -0.05475 0.04711 135 4ZZ 0.02228 0.00398 -0.05020 0.04449 0.02878 136 4XY 0.00707 -0.01573 -0.01295 0.01738 -0.01438 137 4XZ -0.07254 -0.01493 0.01474 0.01265 -0.00879 138 4YZ -0.00039 -0.04920 0.00251 0.05328 0.08907 139 18 H 1S 0.07690 -0.00197 -0.24445 0.08866 -0.02602 140 2S 0.14422 0.16970 -0.29737 -0.04536 -0.02326 141 19 O 1S 0.00630 -0.00087 -0.00158 0.00679 0.01300 142 2S 0.45910 -0.13191 0.00522 0.07735 0.21766 143 2PX -0.26673 0.05697 0.34367 0.02902 -0.07751 144 2PY -0.37391 0.06809 -0.25127 0.11654 -0.13242 145 2PZ -0.03913 0.06660 0.26203 -0.31688 -0.41448 146 3S -1.13237 0.12289 -0.18442 -0.24659 -0.75697 147 3PX 0.45433 -0.16198 -0.71770 -0.24313 0.11865 148 3PY 0.65929 -0.21315 0.38664 -0.20623 0.16384 149 3PZ 0.00390 -0.18340 -0.30094 0.62248 0.72748 150 4XX 0.12910 -0.07459 0.09923 0.01208 0.14812 151 4YY 0.09164 -0.03635 -0.04599 0.03157 -0.03216 152 4ZZ 0.21118 -0.01784 -0.04751 0.00785 0.08786 153 4XY -0.01473 0.05149 -0.01395 -0.00631 -0.04816 154 4XZ -0.00418 0.00437 0.06608 -0.02127 -0.00938 155 4YZ 0.01386 0.04613 0.00107 -0.01455 -0.02450 156 20 O 1S -0.00630 -0.00075 0.00162 0.00670 0.01304 157 2S -0.46070 -0.12650 -0.00483 0.07648 0.21729 158 2PX 0.26774 0.05397 -0.34246 0.03424 -0.07851 159 2PY -0.37341 -0.06479 -0.25275 -0.11248 0.13236 160 2PZ 0.03953 0.06575 -0.26541 -0.31265 -0.41715 161 3S 1.13295 0.11011 0.18371 -0.24525 -0.75909 162 3PX -0.45622 -0.15692 0.71289 -0.25275 0.11847 163 3PY 0.65987 0.20728 0.38927 0.19929 -0.16316 164 3PZ -0.00555 -0.18310 0.30777 0.61690 0.73268 165 4XX -0.12980 -0.07294 -0.09967 0.01333 0.14748 166 4YY -0.09215 -0.03489 0.04644 0.03056 -0.03220 167 4ZZ -0.21136 -0.01580 0.04756 0.00681 0.08824 168 4XY -0.01560 -0.05137 -0.01387 0.00653 0.04812 169 4XZ 0.00429 0.00395 -0.06645 -0.02027 -0.00919 170 4YZ 0.01375 -0.04615 0.00131 0.01463 0.02428 171 21 C 1S -0.00015 -0.00101 0.00027 0.02838 -0.03481 172 2S -0.00114 0.28353 0.00486 0.55330 -0.49413 173 2PX -0.00161 -0.33926 -0.00101 -0.10056 0.03340 174 2PY 0.25322 -0.00144 0.00510 0.00006 0.00001 175 2PZ 0.00084 0.09390 -0.00049 -0.02686 0.02136 176 3S 0.00079 -0.94563 -0.01344 -1.64982 0.76814 177 3PX 0.00463 1.00423 0.00339 0.29776 -0.20813 178 3PY -0.75485 0.00466 0.36865 -0.00221 -0.00070 179 3PZ -0.00138 -0.17185 0.00012 -0.32284 -0.47113 180 4XX 0.00060 0.12180 0.00026 0.01944 -0.10776 181 4YY 0.00016 0.04709 0.00014 0.02848 0.00342 182 4ZZ -0.00098 -0.11863 0.00027 0.01472 -0.03334 183 4XY 0.00350 0.00000 0.14954 -0.00118 0.00013 184 4XZ -0.00025 -0.04059 0.00035 0.05212 0.15566 185 4YZ -0.10162 0.00064 0.05847 -0.00053 0.00043 186 22 H 1S -0.00008 0.03429 0.00101 0.10086 -0.05030 187 2S 0.00135 0.62646 0.00464 0.47108 -0.32727 188 23 H 1S -0.00306 -0.47976 0.00091 0.10613 -0.03805 189 2S 0.00457 1.02064 0.00244 0.55812 0.19795 111 112 113 114 115 V V V V V Eigenvalues -- 1.14920 1.15182 1.18941 1.20406 1.25129 1 1 C 1S 0.00780 0.00333 0.00505 0.02083 0.00079 2 2S -0.40220 0.26822 0.07529 0.20134 0.26682 3 2PX -0.03693 -0.16540 0.02948 -0.02821 0.02199 4 2PY -0.29273 -0.06029 0.10139 -0.33542 0.05163 5 2PZ 0.14026 0.01392 0.08652 -0.02020 -0.07004 6 3S -0.28187 -0.39048 -0.77383 -1.58424 -0.88059 7 3PX -0.01895 0.43235 0.17149 0.24615 -0.56495 8 3PY 0.60950 0.04702 -0.87531 1.77408 -0.14428 9 3PZ -0.62315 -0.27270 -0.95886 0.38190 0.33653 10 4XX 0.02650 -0.03250 -0.05369 -0.00327 -0.04331 11 4YY -0.02246 0.01578 -0.01858 0.13664 -0.00444 12 4ZZ -0.02505 0.04171 0.06178 -0.08055 0.04722 13 4XY 0.04139 -0.01450 0.01887 -0.05767 0.05134 14 4XZ 0.10586 -0.00209 -0.00800 0.01887 0.02250 15 4YZ 0.03874 0.01750 -0.00929 0.02241 0.07779 16 2 H 1S 0.09895 -0.04496 -0.13722 0.54270 0.05443 17 2S 0.29697 0.20615 -0.30896 0.82697 0.06602 18 3 C 1S -0.00266 0.00058 -0.00161 -0.00950 -0.04037 19 2S -0.01435 0.03915 -0.18273 -0.35372 -0.90775 20 2PX 0.00682 0.01679 -0.00087 0.08072 0.03466 21 2PY -0.05775 -0.07617 -0.04389 -0.07594 -0.00065 22 2PZ -0.05679 -0.02593 0.05188 -0.11832 0.15794 23 3S -0.38089 -0.43787 0.02172 -0.07379 3.45189 24 3PX -0.62535 -0.05866 -0.10514 -0.45734 0.04093 25 3PY 0.21809 0.32243 0.42923 -0.85437 0.19851 26 3PZ 1.03942 0.09944 0.14636 0.27769 -0.76796 27 4XX -0.05826 0.02241 -0.00633 -0.02566 -0.04026 28 4YY 0.00392 -0.00963 -0.02824 -0.01233 -0.01646 29 4ZZ 0.06690 -0.00493 0.02339 -0.00023 -0.03159 30 4XY -0.03520 0.01140 0.11163 -0.02812 0.06134 31 4XZ 0.01249 0.00430 -0.00703 0.05155 0.07698 32 4YZ 0.05286 0.04333 0.12670 0.00008 -0.01132 33 4 H 1S 0.39781 0.07784 0.14247 -0.05153 -0.37774 34 2S 0.39045 0.14265 -0.02342 0.02644 -0.65637 35 5 C 1S 0.00247 0.00069 -0.00175 0.00955 0.04022 36 2S 0.00987 0.04203 -0.18713 0.35417 0.90350 37 2PX -0.00633 0.01594 -0.00029 -0.08154 -0.03312 38 2PY -0.06002 0.07464 0.04401 -0.07665 0.00039 39 2PZ 0.05690 -0.02369 0.05175 0.11885 -0.15919 40 3S 0.40369 -0.43384 0.03064 0.07274 -3.44247 41 3PX 0.62309 -0.03861 -0.10715 0.45924 -0.04571 42 3PY 0.23297 -0.32320 -0.42213 -0.85421 0.19701 43 3PZ -1.04010 0.07001 0.14458 -0.28003 0.77270 44 4XX 0.05779 0.02391 -0.00623 0.02501 0.04077 45 4YY -0.00433 -0.00954 -0.02822 0.01248 0.01578 46 4ZZ -0.06657 -0.00660 0.02276 0.00068 0.03173 47 4XY -0.03507 -0.01226 -0.11163 -0.02867 0.06154 48 4XZ -0.01233 0.00384 -0.00661 -0.05181 -0.07626 49 4YZ 0.05411 -0.04209 -0.12670 -0.00025 -0.01173 50 6 H 1S -0.40074 0.06852 0.14065 0.05206 0.37776 51 2S -0.39467 0.13286 -0.02570 -0.02784 0.65861 52 7 C 1S -0.00793 0.00304 0.00510 -0.02073 -0.00118 53 2S 0.39830 0.27731 0.07783 -0.20111 -0.27184 54 2PX 0.04085 -0.16541 0.02932 0.02861 -0.01995 55 2PY -0.29272 0.05185 -0.10025 -0.33663 0.05198 56 2PZ -0.14252 0.01104 0.08569 0.02009 0.06952 57 3S 0.28224 -0.37412 -0.78452 1.57960 0.89333 58 3PX 0.00513 0.43616 0.16840 -0.24567 0.55638 59 3PY 0.60564 -0.02585 0.86815 1.77921 -0.13989 60 3PZ 0.63882 -0.26271 -0.95155 -0.38472 -0.32697 61 4XX -0.02616 -0.03305 -0.05393 0.00382 0.04280 62 4YY 0.02243 0.01596 -0.01783 -0.13702 0.00353 63 4ZZ 0.02433 0.04242 0.06147 0.08040 -0.04613 64 4XY 0.04085 0.01525 -0.01855 -0.05787 0.05128 65 4XZ -0.10551 -0.00488 -0.00822 -0.01933 -0.02107 66 4YZ 0.03880 -0.01655 0.00892 0.02183 0.07829 67 8 H 1S -0.09758 -0.04955 -0.13433 -0.54261 -0.05762 68 2S -0.29841 0.19598 -0.30431 -0.82893 -0.06763 69 9 C 1S 0.02842 0.00291 -0.03858 -0.01372 0.01277 70 2S 0.38562 0.05837 -0.80608 -0.19052 0.29042 71 2PX 0.08644 -0.01343 0.11805 -0.00165 0.15264 72 2PY 0.01201 -0.04196 0.04732 -0.04651 0.01459 73 2PZ 0.12907 -0.10569 0.03674 -0.16485 0.03550 74 3S -1.28379 0.34274 2.25458 1.56062 -0.93266 75 3PX -0.42780 -0.07274 -0.05064 0.38302 -0.82023 76 3PY -0.54057 0.15878 0.30260 -1.06433 0.23833 77 3PZ -0.56726 0.04310 -0.52418 0.43183 -0.39105 78 4XX -0.01095 -0.00167 0.00529 0.00923 -0.00364 79 4YY 0.01751 -0.01398 -0.07297 0.01415 0.01343 80 4ZZ 0.05051 0.02550 -0.05728 -0.03774 0.02213 81 4XY 0.00147 0.00981 0.06080 0.00513 0.00836 82 4XZ 0.06543 -0.04452 0.00103 -0.04303 0.09952 83 4YZ -0.03474 -0.00161 -0.08684 -0.06321 -0.00460 84 10 H 1S 0.25501 0.04717 -0.13619 -0.08388 0.18651 85 2S 0.49944 -0.06156 -0.13468 -0.21025 0.36081 86 11 H 1S -0.00172 0.08654 -0.10646 0.14260 -0.08570 87 2S 0.46271 -0.23601 -0.36842 -0.08314 0.02851 88 12 C 1S -0.02842 0.00226 -0.03876 0.01339 -0.01226 89 2S -0.38637 0.04981 -0.80769 0.18441 -0.28410 90 2PX -0.08506 -0.01555 0.11808 0.00219 -0.14965 91 2PY 0.01144 0.04199 -0.04718 -0.04726 0.01397 92 2PZ -0.12653 -0.10807 0.03561 0.16588 -0.03473 93 3S 1.27148 0.36708 2.26679 -1.54506 0.90800 94 3PX 0.42555 -0.06284 -0.04903 -0.38237 0.81357 95 3PY -0.53697 -0.17364 -0.29726 -1.06621 0.24614 96 3PZ 0.56715 0.05595 -0.52311 -0.43849 0.39338 97 4XX 0.01112 -0.00129 0.00534 -0.00963 0.00534 98 4YY -0.01702 -0.01444 -0.07320 -0.01440 -0.01289 99 4ZZ -0.05132 0.02424 -0.05730 0.03742 -0.02315 100 4XY 0.00196 -0.00965 -0.06095 0.00514 0.00674 101 4XZ -0.06470 -0.04604 0.00085 0.04346 -0.09972 102 4YZ -0.03522 0.00045 0.08706 -0.06276 -0.00498 103 13 H 1S 0.00045 0.08599 -0.10674 -0.14464 0.08797 104 2S -0.46078 -0.24628 -0.36917 0.08243 -0.02828 105 14 H 1S -0.25537 0.04112 -0.13670 0.08235 -0.18460 106 2S -0.49638 -0.07269 -0.13609 0.20968 -0.35393 107 15 C 1S -0.00021 -0.02010 -0.00438 -0.00222 0.00753 108 2S -0.58010 -0.14574 0.00604 -0.10266 0.25755 109 2PX -0.10212 0.04323 -0.03944 -0.09961 0.16406 110 2PY -0.09882 -0.07536 -0.06292 0.13996 0.04309 111 2PZ -0.10379 -0.14847 0.11902 -0.07799 -0.13853 112 3S 2.40368 -0.21979 0.11381 -0.94460 -0.57859 113 3PX -0.78527 0.09400 -0.27834 0.81554 -1.00494 114 3PY 0.99607 0.33138 0.36305 -0.64983 -0.10551 115 3PZ 0.95062 0.10045 0.12200 -0.13957 1.11371 116 4XX 0.01286 -0.09080 -0.08399 -0.02745 -0.08823 117 4YY 0.00104 -0.00648 -0.02591 -0.00753 0.00771 118 4ZZ 0.01159 0.04745 0.10295 -0.02322 0.11814 119 4XY -0.00167 -0.10445 0.12490 0.01422 0.00621 120 4XZ 0.01136 -0.03130 0.02067 0.05666 -0.02474 121 4YZ 0.00621 -0.00925 0.02968 0.01882 0.03733 122 16 H 1S 0.19158 -0.04653 0.24766 -0.01390 0.33557 123 2S 0.19811 0.18618 -0.10034 -0.16816 0.34234 124 17 C 1S 0.00074 -0.02008 -0.00437 0.00221 -0.00728 125 2S 0.58639 -0.12971 0.00776 0.10188 -0.25279 126 2PX 0.10289 0.04660 -0.03895 0.09850 -0.16219 127 2PY -0.10115 0.07378 0.06175 0.13996 0.04429 128 2PZ 0.10751 -0.14547 0.11885 0.07968 0.13956 129 3S -2.39967 -0.27624 0.10100 0.94666 0.57385 130 3PX 0.78193 0.10805 -0.27413 -0.81547 0.99689 131 3PY 1.00818 -0.30861 -0.35805 -0.65198 -0.10709 132 3PZ -0.95217 0.07972 0.11901 0.13800 -1.11201 133 4XX -0.01085 -0.09083 -0.08418 0.02708 0.09066 134 4YY -0.00034 -0.00656 -0.02569 0.00722 -0.00810 135 4ZZ -0.01299 0.04735 0.10266 0.02384 -0.11873 136 4XY -0.00409 0.10440 -0.12511 0.01346 0.00851 137 4XZ -0.01088 -0.03176 0.02079 -0.05647 0.02402 138 4YZ 0.00626 0.00933 -0.03012 0.01875 0.03749 139 18 H 1S -0.19128 -0.05106 0.24726 0.01548 -0.33453 140 2S -0.20176 0.18334 -0.10141 0.16574 -0.33792 141 19 O 1S 0.00287 -0.01387 0.01442 -0.00261 0.00387 142 2S -0.06586 -0.27793 0.18776 -0.02761 0.01530 143 2PX 0.02223 -0.42859 0.05442 -0.13992 -0.01902 144 2PY -0.03533 0.16058 0.23439 -0.02780 -0.10426 145 2PZ -0.25328 -0.11531 -0.00036 0.25064 -0.09786 146 3S -0.38784 0.66380 -0.37280 0.15355 -0.47720 147 3PX -0.38983 0.80019 -0.10964 0.45905 -0.17792 148 3PY -0.01064 -0.27328 -0.47975 0.08476 0.16995 149 3PZ 0.59653 0.14134 0.12123 -0.65524 0.22577 150 4XX -0.03460 -0.09354 0.09053 0.00428 0.08561 151 4YY -0.04393 0.04799 0.04875 -0.00822 -0.01369 152 4ZZ 0.01789 -0.19996 0.00767 -0.00395 -0.05388 153 4XY -0.00143 -0.01922 -0.01785 -0.03704 -0.00421 154 4XZ 0.05696 0.05100 -0.05262 0.02262 0.06159 155 4YZ -0.00692 -0.05343 0.06403 0.03502 0.00208 156 20 O 1S -0.00251 -0.01387 0.01447 0.00271 -0.00407 157 2S 0.07292 -0.27591 0.18902 0.02916 -0.01564 158 2PX -0.01257 -0.42861 0.05293 0.14256 0.02236 159 2PY -0.03064 -0.16176 -0.23461 -0.02817 -0.10596 160 2PZ 0.25464 -0.11149 0.00108 -0.24881 0.09528 161 3S 0.36900 0.67091 -0.37484 -0.15599 0.48422 162 3PX 0.37216 0.80693 -0.10458 -0.46388 0.16946 163 3PY -0.01772 0.27393 0.47998 0.08512 0.17087 164 3PZ -0.59806 0.13204 0.11669 0.65241 -0.21780 165 4XX 0.03729 -0.09293 0.09089 -0.00339 -0.08743 166 4YY 0.04240 0.04915 0.04947 0.00800 0.01560 167 4ZZ -0.01267 -0.19994 0.00778 0.00457 0.05253 168 4XY -0.00160 0.01873 0.01831 -0.03729 -0.00490 169 4XZ -0.05807 0.04946 -0.05271 -0.02315 -0.06234 170 4YZ -0.00787 0.05390 -0.06426 0.03406 0.00333 171 21 C 1S -0.00044 0.02226 0.04280 0.00008 0.00045 172 2S -0.00651 0.30677 0.74478 0.00177 0.00732 173 2PX 0.00038 -0.06264 0.28998 0.00097 -0.00009 174 2PY 0.03738 0.00035 0.00005 0.00611 0.05639 175 2PZ -0.00215 0.17966 -0.02064 -0.00039 -0.00014 176 3S 0.01189 -0.52620 -1.16776 -0.00236 -0.02144 177 3PX 0.00619 -0.47137 -0.39046 0.00042 0.00021 178 3PY 0.44425 0.00423 0.00392 -0.60864 0.11057 179 3PZ 0.00925 -0.72199 -0.41009 0.00033 0.00198 180 4XX -0.00031 0.00521 -0.00715 0.00017 0.00046 181 4YY 0.00053 -0.04346 0.11032 0.00036 -0.00060 182 4ZZ -0.00210 0.15075 0.01013 -0.00036 0.00074 183 4XY 0.00373 0.00035 0.00020 -0.01963 0.07458 184 4XZ 0.00279 -0.20510 -0.00395 0.00029 -0.00050 185 4YZ -0.07036 -0.00082 -0.00017 0.06269 0.01605 186 22 H 1S 0.00250 -0.23458 0.17307 0.00101 0.00214 187 2S -0.00126 0.03987 -0.11280 -0.00022 0.00392 188 23 H 1S -0.00103 0.03255 0.16183 0.00012 0.00209 189 2S -0.00819 0.59780 0.58127 0.00050 0.00176 116 117 118 119 120 V V V V V Eigenvalues -- 1.26442 1.36726 1.37043 1.39833 1.42713 1 1 C 1S 0.02395 -0.00363 0.00679 0.03046 -0.00202 2 2S 0.22325 -0.04328 0.01125 0.38672 -0.13189 3 2PX -0.09507 -0.00033 0.04881 -0.08870 0.04704 4 2PY -0.00709 -0.08387 0.06423 0.07751 -0.07208 5 2PZ 0.03937 0.00485 0.04298 0.00862 -0.01735 6 3S -0.73054 -0.18166 0.47933 -1.03277 1.48943 7 3PX 0.48806 0.08947 -0.14602 0.30208 0.17123 8 3PY 0.42337 0.06593 -0.28864 -0.47462 1.33797 9 3PZ -0.58552 -0.42680 -0.45762 -0.25067 0.28438 10 4XX -0.00562 0.08704 -0.09765 0.19273 -0.03590 11 4YY 0.06287 0.05426 -0.02967 -0.05824 0.06562 12 4ZZ -0.04279 -0.15575 0.12304 -0.07156 0.00247 13 4XY -0.00065 0.05339 0.03288 0.04556 -0.05937 14 4XZ -0.07322 -0.05143 0.02004 0.00091 0.01923 15 4YZ 0.00085 0.09176 -0.08144 0.16014 -0.08264 16 2 H 1S 0.24024 -0.08154 -0.12146 0.04781 0.16559 17 2S 0.14683 0.05157 -0.11990 -0.05594 0.34208 18 3 C 1S 0.01196 0.00366 0.02927 -0.00457 0.01972 19 2S 0.34178 0.09414 0.56079 -0.12107 0.40284 20 2PX -0.10625 -0.06394 -0.03647 -0.02800 -0.00526 21 2PY 0.08209 0.00655 -0.01917 -0.06958 -0.02541 22 2PZ 0.10652 0.04011 0.07469 -0.05047 0.09574 23 3S -0.59968 -0.24190 -1.90220 0.02672 -2.71399 24 3PX 0.43455 0.23923 0.59467 -0.28769 0.90107 25 3PY -0.19830 -0.02984 -0.41356 0.40923 -1.27763 26 3PZ -0.41062 -0.18064 -0.25691 0.39561 -1.30385 27 4XX -0.00623 -0.15038 0.12379 -0.19788 0.08306 28 4YY 0.06986 0.04897 0.00175 -0.04158 -0.00138 29 4ZZ -0.05204 0.09781 -0.07936 0.22852 -0.07182 30 4XY 0.00378 -0.04171 0.00531 -0.02400 -0.01587 31 4XZ -0.04815 -0.05882 -0.05431 0.06702 0.00696 32 4YZ -0.01379 -0.05299 0.02934 -0.11110 -0.01212 33 4 H 1S -0.07201 -0.04181 0.01190 0.19067 -0.23737 34 2S -0.22607 -0.14955 -0.04616 0.24027 -0.43940 35 5 C 1S 0.01259 0.00288 -0.02939 -0.00478 -0.01972 36 2S 0.35504 0.07872 -0.56250 -0.12517 -0.40149 37 2PX -0.10643 -0.06292 0.03809 -0.02796 0.00548 38 2PY -0.08201 -0.00713 -0.01999 0.06943 -0.02674 39 2PZ 0.10387 0.03760 -0.07494 -0.05141 -0.09464 40 3S -0.65472 -0.18224 1.91297 0.04396 2.71962 41 3PX 0.43436 0.21791 -0.59763 -0.29309 -0.89749 42 3PY 0.20376 0.01785 -0.40761 -0.41790 -1.27098 43 3PZ -0.39888 -0.16480 0.25678 0.40134 1.29654 44 4XX -0.00554 -0.15319 -0.11894 -0.19881 -0.08051 45 4YY 0.07004 0.04881 -0.00275 -0.04177 0.00150 46 4ZZ -0.05162 0.09969 0.07561 0.22942 0.06938 47 4XY -0.00279 0.04166 0.00411 0.02386 -0.01599 48 4XZ -0.04917 -0.05784 0.05521 0.06704 -0.00723 49 4YZ 0.01376 0.05340 0.02783 0.11096 -0.01280 50 6 H 1S -0.06644 -0.04079 -0.01334 0.19174 0.23449 51 2S -0.21611 -0.14564 0.04632 0.24267 0.43542 52 7 C 1S 0.02390 -0.00355 -0.00677 0.03053 0.00197 53 2S 0.21849 -0.03838 -0.01098 0.38706 0.13121 54 2PX -0.09530 -0.00273 -0.04823 -0.08853 -0.04649 55 2PY 0.00839 0.08571 0.06337 -0.07720 -0.07104 56 2PZ 0.04060 0.00369 -0.04355 0.00886 0.01682 57 3S -0.71604 -0.21538 -0.47624 -1.04135 -1.48835 58 3PX 0.49699 0.09300 0.14021 0.30397 -0.17732 59 3PY -0.42873 -0.06756 -0.29496 0.47649 1.32825 60 3PZ -0.59168 -0.41603 0.47077 -0.24966 -0.27563 61 4XX -0.00511 0.08890 0.09391 0.19387 0.03365 62 4YY 0.06312 0.05565 0.02942 -0.05754 -0.06486 63 4ZZ -0.04367 -0.15864 -0.11890 -0.07319 -0.00110 64 4XY 0.00166 -0.05244 0.03394 -0.04434 -0.05957 65 4XZ -0.07356 -0.05194 -0.01806 0.00060 -0.01804 66 4YZ 0.00045 -0.09372 -0.07805 -0.16074 -0.08128 67 8 H 1S 0.24040 -0.07828 0.12441 0.04849 -0.16389 68 2S 0.14712 0.05600 0.12116 -0.05571 -0.33796 69 9 C 1S -0.04188 -0.03901 0.02469 0.00610 -0.02054 70 2S -0.63580 -0.61678 0.27882 0.38029 -0.23090 71 2PX -0.18419 0.11615 0.14554 0.00736 0.08274 72 2PY -0.01351 0.10202 0.05121 -0.06466 -0.01090 73 2PZ 0.00111 0.20198 0.08103 -0.15503 -0.03333 74 3S 1.86487 1.33389 -1.32874 0.00250 1.58628 75 3PX 0.37240 -0.23958 -0.84880 0.04819 -0.28279 76 3PY 0.54235 0.19102 0.30316 0.18398 -0.32773 77 3PZ -0.11962 -0.41332 -0.28989 -0.02316 -0.36234 78 4XX -0.07903 -0.08775 -0.02489 -0.07026 -0.05128 79 4YY -0.04824 -0.05763 -0.01055 0.00777 0.00261 80 4ZZ 0.01819 0.07372 0.07350 0.09535 0.03665 81 4XY -0.09057 -0.07460 -0.04259 -0.07268 -0.02397 82 4XZ 0.01051 0.00522 0.08804 -0.00055 0.00794 83 4YZ -0.01383 0.13619 0.03970 0.00591 -0.02377 84 10 H 1S -0.16961 -0.21411 0.17451 0.02115 -0.00137 85 2S -0.46799 0.11603 0.39139 0.00693 0.05543 86 11 H 1S -0.15670 -0.17740 -0.06904 -0.03589 -0.13041 87 2S -0.12823 -0.31129 -0.05905 0.14588 -0.17641 88 12 C 1S -0.04216 -0.03947 -0.02395 0.00591 0.02058 89 2S -0.64117 -0.62225 -0.26872 0.37796 0.22961 90 2PX -0.18623 0.11254 -0.14844 0.00538 -0.08377 91 2PY 0.01368 -0.10123 0.05315 0.06534 -0.01110 92 2PZ 0.00009 0.20036 -0.08440 -0.15565 0.03427 93 3S 1.88525 1.35648 1.30057 0.01067 -1.59169 94 3PX 0.38384 -0.21727 0.85413 0.05774 0.28426 95 3PY -0.53527 -0.18141 0.30741 -0.18000 -0.32708 96 3PZ -0.11344 -0.40333 0.30070 -0.01815 0.36420 97 4XX -0.07920 -0.08668 0.02796 -0.06981 0.05284 98 4YY -0.04839 -0.05688 0.01151 0.00793 -0.00256 99 4ZZ 0.01795 0.07108 -0.07630 0.09433 -0.03829 100 4XY 0.09062 0.07361 -0.04561 0.07226 -0.02640 101 4XZ 0.00893 0.00338 -0.08881 -0.00180 -0.00912 102 4YZ 0.01382 -0.13522 0.04247 -0.00561 -0.02411 103 13 H 1S -0.15588 -0.17478 0.07286 -0.03487 0.13059 104 2S -0.12961 -0.30836 0.06478 0.14711 0.17744 105 14 H 1S -0.17244 -0.21865 -0.17033 0.01976 0.00131 106 2S -0.47355 0.10701 -0.39471 0.00244 -0.05633 107 15 C 1S -0.01124 0.01589 -0.02517 -0.02895 -0.00959 108 2S -0.31634 0.37846 -0.35271 -0.51065 -0.36690 109 2PX -0.13105 0.07636 -0.03665 -0.15018 -0.07903 110 2PY 0.11128 0.03943 -0.00266 -0.04242 0.07000 111 2PZ 0.01198 0.17696 -0.08940 -0.10706 0.00345 112 3S 0.35622 -0.56072 1.53241 1.15546 1.28099 113 3PX 0.43880 0.20918 0.41746 -0.05067 -0.35538 114 3PY -0.23876 -0.08934 1.91732 -0.10428 -0.34183 115 3PZ -0.24076 -0.51018 0.14679 0.49869 -0.18262 116 4XX -0.14445 -0.02901 -0.15258 -0.14016 0.01121 117 4YY 0.02604 0.05799 0.01335 -0.09235 -0.00048 118 4ZZ 0.02973 -0.01559 0.08802 0.23019 0.00619 119 4XY 0.12673 -0.24461 -0.03127 0.07502 0.01043 120 4XZ 0.04350 -0.17031 0.07355 0.01129 0.02483 121 4YZ -0.00749 -0.10514 0.00177 -0.09785 -0.09751 122 16 H 1S -0.00292 -0.04268 0.14612 -0.04174 -0.15858 123 2S -0.37492 -0.19147 0.30072 -0.02629 -0.29793 124 17 C 1S -0.01138 0.01630 0.02495 -0.02885 0.00976 125 2S -0.32044 0.38595 0.34663 -0.50831 0.36929 126 2PX -0.13313 0.07718 0.03588 -0.14995 0.07948 127 2PY -0.11084 -0.04020 -0.00245 0.04261 0.06950 128 2PZ 0.01404 0.17895 0.08625 -0.10612 -0.00327 129 3S 0.36559 -0.59648 -1.52431 1.14684 -1.28372 130 3PX 0.45247 0.20428 -0.42191 -0.04990 0.35619 131 3PY 0.23777 0.13528 1.91552 0.11072 -0.34071 132 3PZ -0.25622 -0.51600 -0.13434 0.49924 0.18111 133 4XX -0.14301 -0.02638 0.15389 -0.13842 -0.01165 134 4YY 0.02600 0.05705 -0.01411 -0.09268 0.00102 135 4ZZ 0.02774 -0.01671 -0.08872 0.22903 -0.00599 136 4XY -0.12683 0.24423 -0.03583 -0.07516 0.01182 137 4XZ 0.04365 -0.17168 -0.06981 0.01075 -0.02505 138 4YZ 0.00785 0.10545 -0.00094 0.09652 -0.09715 139 18 H 1S -0.00770 -0.04645 -0.14479 -0.04219 0.15838 140 2S -0.38006 -0.19976 -0.29666 -0.02675 0.29786 141 19 O 1S 0.01453 -0.01711 0.00056 0.01504 0.01360 142 2S 0.05240 -0.18688 -0.11671 0.14145 0.27627 143 2PX -0.21528 0.03421 -0.30975 0.07706 0.05492 144 2PY -0.04683 0.02748 0.10688 -0.03026 0.03000 145 2PZ 0.10909 0.11294 0.23674 -0.01698 -0.19762 146 3S -0.51559 0.72959 0.06966 -0.51022 -0.78291 147 3PX 0.58073 0.03971 0.94751 -0.49560 -0.27301 148 3PY -0.07375 0.03601 -0.50115 0.07254 -0.00130 149 3PZ -0.39379 -0.28811 -0.85692 0.18077 0.65003 150 4XX 0.11719 -0.05517 0.01986 0.19889 0.23068 151 4YY -0.11224 0.05261 0.03104 0.00825 0.05951 152 4ZZ 0.09405 -0.18642 -0.12581 -0.06478 -0.07522 153 4XY -0.06693 0.08911 -0.06725 0.06151 -0.20132 154 4XZ 0.02440 0.00163 0.10014 0.04699 -0.06398 155 4YZ 0.07679 -0.01067 0.05889 0.12285 -0.19159 156 20 O 1S 0.01455 -0.01726 -0.00025 0.01511 -0.01371 157 2S 0.05338 -0.18687 0.12038 0.14294 -0.27675 158 2PX -0.21563 0.04064 0.30906 0.07844 -0.05418 159 2PY 0.04481 -0.02472 0.10772 0.03042 0.02987 160 2PZ 0.11108 0.10791 -0.23906 -0.01649 0.19767 161 3S -0.51246 0.73504 -0.08361 -0.51245 0.78580 162 3PX 0.58462 0.02015 -0.94678 -0.49919 0.27186 163 3PY 0.07816 -0.04852 -0.50174 -0.07362 -0.00150 164 3PZ -0.39803 -0.27029 0.86129 0.18061 -0.65069 165 4XX 0.11569 -0.05550 -0.01931 0.19715 -0.23037 166 4YY -0.11123 0.05088 -0.03243 0.00915 -0.05895 167 4ZZ 0.09530 -0.18470 0.13038 -0.06277 0.07375 168 4XY 0.06687 -0.09050 -0.06481 -0.06290 -0.20190 169 4XZ 0.02349 0.00000 -0.10067 0.04603 0.06396 170 4YZ -0.07751 0.01241 0.05878 -0.12342 -0.19184 171 21 C 1S -0.05235 -0.00938 0.00003 0.02837 -0.00002 172 2S -0.82036 0.04641 -0.00121 0.32663 -0.00009 173 2PX 0.05172 -0.02876 0.00031 0.04111 -0.00015 174 2PY 0.00055 -0.00217 -0.17746 -0.00008 0.06185 175 2PZ 0.00190 0.03012 -0.00059 0.01055 0.00003 176 3S 2.59772 -0.03899 0.00251 -1.08467 -0.00062 177 3PX -0.02749 0.30924 -0.00232 -0.26526 0.00075 178 3PY 0.00225 -0.01124 -0.98894 -0.00081 0.27301 179 3PZ -0.30549 0.12319 -0.00198 0.05742 0.00146 180 4XX -0.08373 0.07474 -0.00104 0.08338 0.00008 181 4YY 0.10590 -0.07446 0.00062 -0.00383 -0.00064 182 4ZZ -0.08512 -0.01017 0.00041 -0.05404 0.00048 183 4XY 0.00085 -0.00091 -0.06749 0.00116 0.36263 184 4XZ 0.07624 -0.12740 0.00132 0.04472 0.00024 185 4YZ 0.00049 0.00154 0.16912 0.00146 0.29065 186 22 H 1S -0.23102 0.05447 -0.00045 0.04463 0.00025 187 2S -0.48237 0.12574 -0.00126 -0.00428 0.00041 188 23 H 1S -0.24455 -0.12870 0.00105 0.14248 -0.00015 189 2S -0.15184 0.08180 -0.00139 0.16889 -0.00061 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43858 1.47573 1.49205 1.52643 1 1 C 1S -0.00105 -0.00065 -0.03043 -0.03131 -0.00596 2 2S 0.01652 -0.20680 -0.35113 -0.64333 0.04378 3 2PX -0.05081 0.19326 0.06843 0.11862 0.00958 4 2PY 0.07913 -0.06653 0.03640 -0.04169 0.03926 5 2PZ -0.00538 -0.09697 0.03679 0.03285 0.02623 6 3S -0.02458 2.13135 1.31094 2.41501 -0.17997 7 3PX 0.27502 -0.16812 0.12355 0.12916 0.23797 8 3PY -0.49714 1.88659 -0.32643 0.76049 -0.54236 9 3PZ -0.39023 0.68982 0.04382 -0.54751 -0.83876 10 4XX 0.14744 -0.02976 -0.03639 0.20742 0.05022 11 4YY -0.04524 0.07756 0.03830 -0.07447 0.00750 12 4ZZ -0.11601 -0.00356 -0.03309 -0.14429 -0.06479 13 4XY -0.01005 -0.03663 -0.25430 0.00159 -0.01551 14 4XZ -0.10680 0.01995 -0.18595 -0.00561 -0.01450 15 4YZ 0.10289 -0.14741 -0.08714 0.09018 -0.06524 16 2 H 1S -0.06514 0.25181 -0.19496 -0.00938 -0.13810 17 2S -0.22052 0.43303 -0.27084 0.00548 -0.19553 18 3 C 1S -0.00005 0.03414 0.00437 0.00390 0.00344 19 2S -0.06329 0.63135 -0.15053 0.09886 -0.13642 20 2PX -0.05040 -0.00910 0.08908 -0.03730 0.19629 21 2PY -0.06102 0.00161 -0.08893 0.00089 -0.07020 22 2PZ -0.08106 0.14293 -0.10316 0.05415 -0.03972 23 3S -0.34272 -4.16068 -0.48021 -1.30265 -0.48594 24 3PX -0.08390 1.46240 -0.14769 0.99471 -0.17892 25 3PY 0.50203 -2.49258 0.52518 0.16818 0.59093 26 3PZ 0.27806 -2.11373 0.13787 -1.13869 0.31718 27 4XX -0.21147 0.12198 0.07579 -0.14198 0.17113 28 4YY 0.00859 -0.00988 0.00911 0.01630 -0.07034 29 4ZZ 0.16899 -0.11170 -0.07940 0.12372 -0.07550 30 4XY 0.03937 -0.01236 0.09491 0.01606 -0.42470 31 4XZ -0.00107 -0.00771 0.00389 0.04670 -0.09852 32 4YZ -0.03363 -0.02834 0.17978 -0.03336 -0.26623 33 4 H 1S 0.17108 -0.44212 0.09059 -0.12928 0.09540 34 2S 0.18751 -0.85235 0.23396 -0.34900 0.29541 35 5 C 1S 0.00003 -0.03420 0.00402 -0.00381 0.00334 36 2S -0.06211 -0.63033 -0.15654 -0.10008 -0.13861 37 2PX -0.05029 0.00748 0.08880 0.03865 0.19647 38 2PY 0.06079 0.00100 0.08891 0.00200 0.07049 39 2PZ -0.08089 -0.14274 -0.10449 -0.05547 -0.03990 40 3S -0.35257 4.16290 -0.44964 1.29342 -0.47557 41 3PX -0.08008 -1.45895 -0.15283 -0.99617 -0.18070 42 3PY -0.49342 -2.49374 -0.55564 0.15833 -0.59995 43 3PZ 0.27209 2.10942 0.14847 1.13989 0.32027 44 4XX -0.21103 -0.12467 0.07263 0.14323 0.16990 45 4YY 0.00839 0.01000 0.00970 -0.01637 -0.07034 46 4ZZ 0.16863 0.11387 -0.07696 -0.12459 -0.07428 47 4XY -0.03964 -0.01292 -0.09527 0.01637 0.42487 48 4XZ -0.00136 0.00808 0.00473 -0.04637 -0.09787 49 4YZ 0.03356 -0.02705 -0.17942 -0.03475 0.26597 50 6 H 1S 0.16961 0.44232 0.09431 0.13034 0.09644 51 2S 0.18487 0.85089 0.24035 0.35224 0.29739 52 7 C 1S -0.00103 0.00094 -0.03084 0.03097 -0.00615 53 2S 0.01605 0.21076 -0.35637 0.63929 0.04206 54 2PX -0.04961 -0.19500 0.06727 -0.11801 0.00930 55 2PY -0.07912 -0.06721 -0.03668 -0.04216 -0.03955 56 2PZ -0.00626 0.09610 0.03779 -0.03257 0.02655 57 3S -0.02099 -2.14231 1.31537 -2.39778 -0.17783 58 3PX 0.27297 0.16710 0.12902 -0.12703 0.23799 59 3PY 0.49285 1.88338 0.33784 0.76077 0.54814 60 3PZ -0.38528 -0.68680 0.03210 0.54830 -0.84094 61 4XX 0.14744 0.03091 -0.03413 -0.20777 0.05008 62 4YY -0.04463 -0.07798 0.03642 0.07431 0.00682 63 4ZZ -0.11644 0.00297 -0.03435 0.14449 -0.06437 64 4XY 0.01087 -0.03846 0.25385 0.00359 0.01522 65 4XZ -0.10691 -0.01911 -0.18639 0.00387 -0.01448 66 4YZ -0.10229 -0.14954 0.08423 0.09108 0.06482 67 8 H 1S -0.06392 -0.24888 -0.19748 0.00768 -0.13912 68 2S -0.21951 -0.43013 -0.27553 -0.00802 -0.19729 69 9 C 1S -0.00878 -0.01125 0.02541 0.00819 -0.01520 70 2S -0.07674 -0.10871 0.31844 0.14848 -0.17900 71 2PX 0.11648 0.14131 0.02086 0.00551 0.05092 72 2PY -0.01529 -0.01026 -0.01871 -0.03517 0.04846 73 2PZ -0.02671 -0.05535 0.00875 -0.10794 -0.09690 74 3S 0.60400 1.66214 -0.91745 0.12466 0.99007 75 3PX -0.27279 -0.75792 -0.16455 -0.29177 -0.03998 76 3PY 0.13971 -0.05358 -0.25682 -0.06509 0.19479 77 3PZ -0.15475 -0.72972 0.07386 -0.12430 -0.26473 78 4XX -0.08149 -0.09599 -0.16016 -0.01327 0.03926 79 4YY -0.02741 -0.00447 0.03106 0.01771 0.05418 80 4ZZ 0.09926 0.10348 0.15531 0.01218 -0.09905 81 4XY -0.16109 -0.02338 -0.28836 0.04400 -0.05602 82 4XZ 0.09832 0.01753 0.20280 -0.06095 0.13150 83 4YZ -0.04310 -0.00987 -0.06542 -0.02627 -0.19122 84 10 H 1S -0.01897 0.13064 0.14775 0.17261 -0.01169 85 2S 0.07858 0.20066 0.12324 0.03287 -0.03395 86 11 H 1S -0.01754 -0.18252 0.06054 0.03281 -0.07686 87 2S -0.28399 -0.32952 0.15805 -0.17183 -0.09946 88 12 C 1S -0.00878 0.01113 0.02555 -0.00782 -0.01518 89 2S -0.07642 0.10813 0.32078 -0.14315 -0.17823 90 2PX 0.11627 -0.14116 0.01875 -0.00563 0.05036 91 2PY 0.01557 -0.00938 0.01893 -0.03467 -0.04823 92 2PZ -0.02717 0.05461 0.00785 0.10731 -0.09729 93 3S 0.60801 -1.65633 -0.93091 -0.13784 0.98625 94 3PX -0.27246 0.75641 -0.15544 0.28998 -0.03551 95 3PY -0.14091 -0.05854 0.25733 -0.06303 -0.19526 96 3PZ -0.15619 0.73103 0.08217 0.12645 -0.26298 97 4XX -0.08200 0.09685 -0.15979 0.01175 0.03915 98 4YY -0.02741 0.00381 0.03132 -0.01706 0.05371 99 4ZZ 0.09977 -0.10376 0.15476 -0.01090 -0.09848 100 4XY 0.16082 -0.02477 0.28699 0.04702 0.05570 101 4XZ 0.09791 -0.01862 0.20154 0.06354 0.13123 102 4YZ 0.04300 -0.00991 0.06542 -0.02447 0.19144 103 13 H 1S -0.01751 0.18214 0.06307 -0.03211 -0.07591 104 2S -0.28504 0.32664 0.16058 0.17448 -0.09854 105 14 H 1S -0.01858 -0.13129 0.14732 -0.17028 -0.01213 106 2S 0.07795 -0.20164 0.11979 -0.03188 -0.03521 107 15 C 1S -0.00395 0.01646 0.00707 0.02107 -0.00053 108 2S 0.00270 -0.09018 0.13862 0.09080 0.17120 109 2PX -0.01503 -0.10512 0.06868 -0.00557 0.07937 110 2PY -0.03582 0.01738 0.00632 -0.03468 -0.05600 111 2PZ 0.01502 -0.08324 0.02741 0.02004 0.02889 112 3S -0.10456 -0.18597 -0.34468 0.74536 -0.30681 113 3PX 0.06293 0.02042 -0.07817 -0.98447 -0.21031 114 3PY 0.12390 -0.27975 0.09690 0.90231 0.22746 115 3PZ -0.07635 0.57279 -0.02682 0.70468 0.03629 116 4XX 0.21450 0.10845 -0.09942 0.02203 -0.07299 117 4YY -0.00103 0.00353 0.03997 0.00401 0.03292 118 4ZZ -0.22778 -0.06574 0.04273 0.06444 0.00132 119 4XY 0.14673 -0.01475 -0.06089 0.00460 0.02554 120 4XZ 0.02650 0.04728 -0.02023 0.01955 -0.01785 121 4YZ 0.19373 0.04420 -0.07869 0.04861 0.01794 122 16 H 1S -0.01430 0.10276 0.05843 0.24404 0.04570 123 2S 0.03211 0.14295 0.06950 0.38133 0.11030 124 17 C 1S -0.00370 -0.01670 0.00725 -0.02113 -0.00043 125 2S 0.00553 0.08629 0.14194 -0.09053 0.17296 126 2PX -0.01532 0.10394 0.06959 0.00625 0.07989 127 2PY 0.03616 0.01807 -0.00601 -0.03394 0.05625 128 2PZ 0.01487 0.08264 0.02892 -0.02031 0.02941 129 3S -0.11886 0.19256 -0.34452 -0.74662 -0.30808 130 3PX 0.06610 -0.02015 -0.08573 0.98217 -0.21420 131 3PY -0.11917 -0.27980 -0.10218 0.90060 -0.22989 132 3PZ -0.07233 -0.57109 -0.02778 -0.70069 0.03700 133 4XX 0.21553 -0.10579 -0.09947 -0.02436 -0.07293 134 4YY -0.00015 -0.00449 0.03963 -0.00390 0.03301 135 4ZZ -0.22943 0.06401 0.04358 -0.06276 0.00143 136 4XY -0.14678 -0.01759 0.06068 0.00357 -0.02551 137 4XZ 0.02628 -0.04638 -0.02074 -0.01968 -0.01811 138 4YZ -0.19425 0.04182 0.07831 0.04873 -0.01812 139 18 H 1S -0.01297 -0.10324 0.05972 -0.24329 0.04644 140 2S 0.03412 -0.14264 0.07012 -0.37879 0.11128 141 19 O 1S -0.00032 -0.00257 -0.00150 0.05084 0.01108 142 2S -0.04460 -0.00042 0.00364 0.82420 0.14737 143 2PX -0.08958 0.12735 -0.00061 -0.02308 -0.03654 144 2PY 0.02611 -0.04635 0.00046 0.19778 0.05566 145 2PZ -0.02767 -0.03055 0.04143 0.07336 -0.00289 146 3S 0.09152 -0.03237 0.00461 -2.37002 -0.47195 147 3PX 0.27773 -0.39481 0.05149 0.04399 0.15499 148 3PY -0.10104 0.14609 -0.02427 -0.79214 -0.27249 149 3PZ 0.14027 0.08204 -0.17838 -0.16163 -0.03671 150 4XX -0.22190 -0.16394 0.08810 0.14019 0.05475 151 4YY 0.02382 -0.01322 -0.04698 0.39716 0.04760 152 4ZZ 0.15724 0.17089 -0.04351 0.10224 0.01048 153 4XY -0.08610 0.11650 0.01312 0.03645 -0.01817 154 4XZ -0.08438 -0.00791 0.03228 -0.15569 -0.03323 155 4YZ -0.12996 0.05649 0.06726 0.03112 0.01964 156 20 O 1S -0.00047 0.00268 -0.00104 -0.05069 0.01124 157 2S -0.04655 0.00063 0.01126 -0.82263 0.15000 158 2PX -0.08814 -0.12822 -0.00140 0.02246 -0.03666 159 2PY -0.02531 -0.04651 -0.00267 0.19760 -0.05626 160 2PZ -0.02695 0.02967 0.04263 -0.07272 -0.00261 161 3S 0.09808 0.03003 -0.01540 2.36420 -0.47916 162 3PX 0.27404 0.39573 0.05448 -0.04260 0.15556 163 3PY 0.09834 0.14712 0.03246 -0.79000 0.27518 164 3PZ 0.13818 -0.07789 -0.18079 0.15883 -0.03697 165 4XX -0.22508 0.16168 0.09001 -0.13828 0.05529 166 4YY 0.02259 0.01338 -0.04293 -0.39769 0.04903 167 4ZZ 0.15997 -0.16840 -0.04357 -0.10219 0.01048 168 4XY 0.08340 0.11758 -0.01303 0.03627 0.01810 169 4XZ -0.08440 0.00730 0.03060 0.15601 -0.03372 170 4YZ 0.12771 0.05823 -0.06723 0.02912 -0.01964 171 21 C 1S 0.00075 0.00010 -0.00743 -0.00003 -0.00681 172 2S 0.01648 0.00103 -0.12552 -0.00077 -0.07180 173 2PX 0.00490 0.00013 -0.01565 0.00020 0.06207 174 2PY -0.00019 0.03461 0.00118 -0.22518 0.00045 175 2PZ 0.03078 0.00027 -0.04165 -0.00058 -0.01868 176 3S 0.03808 -0.00320 0.46567 0.00404 0.66468 177 3PX -0.12285 -0.00181 0.11283 -0.00013 -0.01757 178 3PY -0.00125 0.28174 0.00407 -0.72619 0.00145 179 3PZ -0.34166 -0.00198 0.18403 -0.00024 -0.18289 180 4XX -0.09712 -0.00047 0.02625 0.00007 -0.03331 181 4YY 0.02016 0.00051 0.02674 0.00026 0.04152 182 4ZZ 0.08018 0.00004 -0.04826 -0.00019 -0.00094 183 4XY 0.00224 -0.21241 -0.00028 -0.06653 0.00002 184 4XZ -0.03041 -0.00023 0.04433 0.00030 -0.03234 185 4YZ 0.00243 -0.27162 -0.00102 0.09118 -0.00026 186 22 H 1S -0.02914 0.00000 -0.03793 -0.00046 -0.03850 187 2S -0.02221 -0.00017 -0.00259 -0.00069 -0.13432 188 23 H 1S 0.01689 0.00059 -0.03688 0.00000 -0.03034 189 2S 0.19116 0.00184 -0.23556 -0.00143 -0.00635 126 127 128 129 130 V V V V V Eigenvalues -- 1.58530 1.63998 1.66107 1.72043 1.72342 1 1 C 1S -0.06584 -0.00860 -0.02089 -0.00391 -0.00646 2 2S -0.86212 -0.20977 -0.24296 0.00390 -0.14027 3 2PX 0.12219 0.04576 0.02968 -0.01783 -0.00252 4 2PY 0.03356 -0.05596 -0.01738 0.01681 -0.04980 5 2PZ 0.06076 0.11510 0.03258 0.09012 -0.03375 6 3S 2.89455 -0.71104 0.02284 0.22209 0.43952 7 3PX -0.56300 -0.17930 -0.19321 -0.07386 -0.04553 8 3PY -0.24537 -0.40242 -0.29852 0.31844 0.55746 9 3PZ 0.09317 -0.11896 -0.17483 0.12328 -0.12226 10 4XX 0.01398 -0.21269 -0.09814 0.05748 0.09034 11 4YY -0.05875 0.01269 -0.03542 -0.02430 -0.08392 12 4ZZ -0.01396 0.19985 0.09828 -0.01173 0.00709 13 4XY 0.13066 -0.18277 -0.08508 0.04379 0.02073 14 4XZ 0.08671 0.04647 -0.01109 0.09322 0.04432 15 4YZ 0.10341 -0.21189 -0.09646 -0.16228 0.01315 16 2 H 1S -0.40012 0.01279 -0.04634 0.09601 0.09113 17 2S -0.42898 -0.12511 -0.12513 0.09072 0.24710 18 3 C 1S 0.00885 -0.01623 -0.01322 0.00190 0.00718 19 2S 0.08422 -0.44132 -0.29836 0.04369 0.01857 20 2PX 0.01973 0.14525 0.08148 -0.00719 0.00754 21 2PY -0.03693 -0.02983 0.00637 0.10112 0.02927 22 2PZ -0.01436 -0.03076 -0.01765 -0.01904 -0.04830 23 3S -0.58752 1.82368 1.23602 0.06309 -0.30416 24 3PX 0.22794 -1.09107 -0.48857 0.07099 0.19727 25 3PY 0.24787 0.84969 0.67275 -0.29270 -0.08374 26 3PZ -0.11266 1.25784 0.61260 -0.09138 -0.08372 27 4XX -0.04419 0.24423 0.08675 -0.01909 -0.17712 28 4YY 0.03264 -0.01279 0.00067 -0.09005 0.00044 29 4ZZ 0.04255 -0.20707 -0.08524 0.12195 0.20108 30 4XY -0.07935 -0.01565 0.01723 0.12207 0.03083 31 4XZ -0.03913 0.06657 0.03818 0.04750 0.02474 32 4YZ 0.04086 0.09548 0.05273 0.01488 0.00579 33 4 H 1S -0.02183 0.27190 0.14198 -0.03461 -0.03765 34 2S 0.02032 0.52925 0.24241 -0.09469 -0.04040 35 5 C 1S 0.00886 0.01616 0.01320 0.00186 0.00707 36 2S 0.08513 0.44092 0.29791 0.04298 0.01825 37 2PX 0.01901 -0.14535 -0.08128 -0.00699 0.00689 38 2PY 0.03660 -0.03008 0.00641 -0.10129 -0.02910 39 2PZ -0.01443 0.03094 0.01754 -0.01925 -0.04794 40 3S -0.58713 -1.81919 -1.23550 0.06845 -0.29908 41 3PX 0.23137 1.08798 0.48689 0.06880 0.19522 42 3PY -0.24883 0.85317 0.67316 0.29151 0.08415 43 3PZ -0.11557 -1.25437 -0.61038 -0.08854 -0.08174 44 4XX -0.04576 -0.24348 -0.08644 -0.01889 -0.17780 45 4YY 0.03303 0.01207 -0.00105 -0.09014 0.00061 46 4ZZ 0.04363 0.20688 0.08537 0.12187 0.20196 47 4XY 0.07911 -0.01609 0.01739 -0.12216 -0.03076 48 4XZ -0.03938 -0.06692 -0.03834 0.04728 0.02542 49 4YZ -0.04042 0.09599 0.05286 -0.01524 -0.00571 50 6 H 1S -0.02255 -0.27131 -0.14164 -0.03435 -0.03725 51 2S 0.01913 -0.52871 -0.24167 -0.09407 -0.03997 52 7 C 1S -0.06584 0.00903 0.02096 -0.00380 -0.00652 53 2S -0.86077 0.21512 0.24405 0.00496 -0.14077 54 2PX 0.12178 -0.04634 -0.02973 -0.01765 -0.00299 55 2PY -0.03417 -0.05605 -0.01752 -0.01699 0.04907 56 2PZ 0.06030 -0.11504 -0.03255 0.08991 -0.03243 57 3S 2.89442 0.69235 -0.02623 0.21402 0.44925 58 3PX -0.56240 0.18266 0.19454 -0.07374 -0.04963 59 3PY 0.24804 -0.39947 -0.29677 -0.31591 -0.55687 60 3PZ 0.09206 0.11731 0.17397 0.12124 -0.11758 61 4XX 0.01535 0.21326 0.09824 0.05747 0.09133 62 4YY -0.05887 -0.01205 0.03553 -0.02499 -0.08382 63 4ZZ -0.01546 -0.20074 -0.09866 -0.01108 0.00682 64 4XY -0.13147 -0.18175 -0.08498 -0.04382 -0.01976 65 4XZ 0.08580 -0.04674 0.01091 0.09274 0.04601 66 4YZ -0.10481 -0.21108 -0.09635 0.16250 -0.01419 67 8 H 1S -0.40098 -0.01086 0.04643 0.09639 0.09007 68 2S -0.42955 0.12559 0.12461 0.09034 0.24585 69 9 C 1S 0.02589 0.00185 0.01449 0.01460 0.00508 70 2S 0.33585 0.04518 0.26347 0.19084 0.08811 71 2PX -0.02983 -0.06836 -0.04879 -0.04073 0.00023 72 2PY 0.00498 -0.00539 0.01052 0.06990 -0.04957 73 2PZ 0.05336 -0.03447 -0.02618 -0.06432 -0.05715 74 3S -1.44736 -0.34478 -0.94824 -0.57379 -0.15889 75 3PX -0.01917 0.41050 0.21848 0.11585 -0.01539 76 3PY -0.48966 0.21039 0.30358 -0.12896 0.17785 77 3PZ 0.32186 0.19993 0.00188 0.24966 0.19697 78 4XX -0.03731 0.00062 -0.00073 -0.04706 0.08723 79 4YY 0.01442 -0.02194 -0.01103 0.20182 0.04944 80 4ZZ 0.03393 0.01312 0.01311 -0.13415 -0.14569 81 4XY 0.00066 -0.05655 -0.00557 -0.04748 0.05496 82 4XZ -0.12926 -0.07477 -0.04108 0.07534 0.04361 83 4YZ 0.21138 0.06604 0.05989 0.10568 -0.20488 84 10 H 1S 0.13063 -0.04151 0.04361 0.00944 0.03567 85 2S 0.13268 -0.18538 -0.02302 -0.03863 -0.05419 86 11 H 1S 0.10240 0.11367 0.05507 0.01368 0.05625 87 2S 0.14309 0.01861 0.21797 0.17118 -0.08233 88 12 C 1S 0.02592 -0.00205 -0.01449 0.01487 0.00401 89 2S 0.33638 -0.04702 -0.26294 0.19409 0.07417 90 2PX -0.02957 0.06849 0.04867 -0.04063 0.00044 91 2PY -0.00512 -0.00584 0.01059 -0.06999 0.05022 92 2PZ 0.05331 0.03401 0.02577 -0.06453 -0.05578 93 3S -1.45094 0.35408 0.94911 -0.58738 -0.11031 94 3PX -0.02295 -0.40959 -0.21814 0.11453 -0.01555 95 3PY 0.48917 0.20858 0.30309 0.12641 -0.16949 96 3PZ 0.32362 -0.20252 -0.00169 0.25197 0.19067 97 4XX -0.03682 -0.00071 0.00053 -0.04703 0.08694 98 4YY 0.01514 0.02167 0.01090 0.20208 0.04910 99 4ZZ 0.03276 -0.01278 -0.01280 -0.13430 -0.14550 100 4XY -0.00087 -0.05657 -0.00543 0.04721 -0.05488 101 4XZ -0.12897 0.07543 0.04128 0.07543 0.04491 102 4YZ -0.21135 0.06662 0.06046 -0.10540 0.20669 103 13 H 1S 0.10218 -0.11456 -0.05502 0.01446 0.05247 104 2S 0.14225 -0.01859 -0.21771 0.17178 -0.08499 105 14 H 1S 0.13115 0.04045 -0.04350 0.01037 0.03195 106 2S 0.13338 0.18474 0.02267 -0.03786 -0.05665 107 15 C 1S 0.04041 0.01133 0.02957 0.00037 0.02793 108 2S 0.60532 0.17592 0.43596 -0.06724 0.23448 109 2PX 0.05310 0.02964 0.15255 -0.04987 0.06274 110 2PY -0.06535 0.02323 -0.05177 -0.06856 -0.02119 111 2PZ 0.00394 -0.03334 0.03686 -0.00745 0.05340 112 3S -1.95579 -0.15319 -1.50944 0.28318 -1.26927 113 3PX 0.01871 -0.73222 -0.45037 -0.16518 0.11138 114 3PY 0.79871 -0.35979 0.20438 0.05122 0.69940 115 3PZ -0.31192 0.42145 0.50598 0.12531 0.00060 116 4XX -0.13184 -0.09445 0.25045 0.00386 0.10721 117 4YY 0.01123 0.00614 0.00837 0.02783 -0.02728 118 4ZZ 0.14621 0.11801 -0.23939 -0.03046 -0.03046 119 4XY 0.13928 0.06883 -0.04748 -0.04577 -0.33855 120 4XZ 0.05068 -0.04555 0.06136 -0.05752 0.19625 121 4YZ 0.14728 0.01655 0.15448 0.03975 -0.13496 122 16 H 1S 0.16799 0.00331 0.34722 -0.04297 0.33451 123 2S 0.33055 0.10250 0.44403 0.02695 0.30843 124 17 C 1S 0.04039 -0.01162 -0.02973 0.00033 0.02817 125 2S 0.60337 -0.17942 -0.43850 -0.06813 0.23614 126 2PX 0.05226 -0.03006 -0.15242 -0.05006 0.06259 127 2PY 0.06572 0.02321 -0.05120 0.06845 0.02251 128 2PZ 0.00417 0.03315 -0.03689 -0.00730 0.05262 129 3S -1.94758 0.16579 1.51318 0.28609 -1.27850 130 3PX 0.02145 0.73201 0.44832 -0.16530 0.11154 131 3PY -0.80328 -0.35425 0.20386 -0.05072 -0.70224 132 3PZ -0.31397 -0.42052 -0.50350 0.12450 0.00569 133 4XX -0.13116 0.09432 -0.25037 0.00375 0.10759 134 4YY 0.01189 -0.00604 -0.00907 0.02790 -0.02846 135 4ZZ 0.14500 -0.11840 0.23982 -0.03031 -0.02917 136 4XY -0.13892 0.06823 -0.04785 0.04567 0.33919 137 4XZ 0.05061 0.04482 -0.06144 -0.05749 0.19805 138 4YZ -0.14705 0.01639 0.15504 -0.03962 0.13436 139 18 H 1S 0.16754 -0.00512 -0.34636 -0.04343 0.33646 140 2S 0.33026 -0.10443 -0.44318 0.02591 0.31299 141 19 O 1S -0.00353 0.02183 -0.00009 0.05701 -0.00404 142 2S -0.06712 0.45340 -0.05896 0.81971 0.00336 143 2PX -0.13693 0.07098 -0.01644 -0.03131 -0.04589 144 2PY 0.08811 0.04986 -0.02753 0.07962 0.15100 145 2PZ 0.12569 -0.05613 0.10631 -0.02338 0.07637 146 3S 0.23664 -1.24295 0.04311 -2.74881 0.11402 147 3PX 0.73388 -0.36191 0.25233 0.20269 0.55125 148 3PY -0.42435 -0.15207 -0.05211 -0.90020 -0.47512 149 3PZ -0.60155 0.23106 -0.24454 -0.12895 -0.58274 150 4XX 0.00902 0.20380 -0.27229 0.14517 0.00225 151 4YY -0.08110 0.11512 0.10947 0.38168 -0.10606 152 4ZZ 0.02436 -0.01754 0.14027 0.03746 0.11386 153 4XY 0.01828 0.13375 -0.15339 0.04031 -0.14807 154 4XZ 0.05817 -0.11030 -0.01012 -0.24363 0.08252 155 4YZ 0.08772 0.15794 -0.29311 0.07065 0.05568 156 20 O 1S -0.00352 -0.02175 0.00015 0.05705 -0.00406 157 2S -0.06674 -0.45230 0.05895 0.82068 0.00199 158 2PX -0.13672 -0.07051 0.01638 -0.03124 -0.04619 159 2PY -0.08860 0.05035 -0.02740 -0.07983 -0.15036 160 2PZ 0.12587 0.05542 -0.10635 -0.02370 0.07628 161 3S 0.23599 1.23874 -0.04422 -2.75118 0.11582 162 3PX 0.73384 0.35824 -0.25344 0.20190 0.55314 163 3PY 0.42667 -0.15337 -0.05229 0.90099 0.47579 164 3PZ -0.60155 -0.22719 0.24521 -0.12665 -0.58406 165 4XX 0.00849 -0.20407 0.27268 0.14587 0.00097 166 4YY -0.08071 -0.11460 -0.10906 0.38205 -0.10487 167 4ZZ 0.02471 0.01800 -0.14082 0.03699 0.11336 168 4XY -0.01811 0.13329 -0.15277 -0.04035 0.14794 169 4XZ 0.05811 0.10963 0.01009 -0.24394 0.08469 170 4YZ -0.08770 0.15814 -0.29320 -0.07048 -0.05502 171 21 C 1S -0.04133 0.00009 0.00009 -0.05865 -0.02122 172 2S -0.49554 0.00092 0.00095 -0.84696 -0.19625 173 2PX -0.01190 0.00002 0.00007 0.02796 0.06430 174 2PY 0.00026 -0.01590 -0.08181 0.00012 0.00052 175 2PZ -0.09204 0.00035 -0.00024 -0.07575 -0.13614 176 3S 2.24398 -0.00489 -0.00275 3.64402 1.56208 177 3PX 0.26800 -0.00093 -0.00040 0.60475 0.20130 178 3PY 0.00041 0.03193 -0.23353 0.00073 0.00093 179 3PZ -0.11181 -0.00058 0.00057 -0.76014 0.11902 180 4XX 0.02134 -0.00005 -0.00012 -0.00285 -0.11159 181 4YY 0.05038 -0.00015 0.00005 0.14369 0.22963 182 4ZZ -0.03713 0.00012 0.00012 -0.11908 -0.09347 183 4XY 0.00026 -0.03201 0.10540 0.00012 0.00006 184 4XZ 0.01875 -0.00041 0.00034 -0.19566 0.22875 185 4YZ 0.00028 -0.04282 0.13029 0.00029 0.00024 186 22 H 1S -0.23764 0.00047 0.00028 -0.28611 -0.09475 187 2S -0.17553 0.00011 0.00030 -0.31671 -0.09917 188 23 H 1S -0.18734 0.00061 0.00029 -0.12838 -0.17599 189 2S -0.33594 0.00107 -0.00002 -0.33501 -0.26990 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77089 1.79420 1.86000 1.87776 1 1 C 1S 0.02085 0.00892 0.01299 0.01186 -0.00037 2 2S 0.22014 -0.15032 0.42432 -0.02843 -0.08333 3 2PX 0.01598 0.10621 -0.05180 0.04966 0.09412 4 2PY -0.08048 -0.01595 0.17785 -0.05509 0.03036 5 2PZ -0.16292 -0.15993 0.08002 -0.02017 -0.01156 6 3S -1.44544 0.16691 -1.03749 -0.81240 0.31751 7 3PX 0.50915 -0.19404 -0.05006 -0.53064 -0.05293 8 3PY -0.00622 0.12594 -1.23871 -0.64715 0.40813 9 3PZ -0.64848 0.22943 -0.24909 -0.03814 -0.19174 10 4XX -0.03805 0.00125 0.03394 -0.00830 0.15810 11 4YY 0.00292 -0.04634 -0.07286 0.12203 -0.11952 12 4ZZ -0.01896 0.08895 0.02357 -0.11699 0.04298 13 4XY 0.13053 -0.12464 -0.15818 -0.36410 -0.14572 14 4XZ -0.14265 -0.03990 0.02000 -0.33729 0.15194 15 4YZ -0.03602 0.24409 -0.05991 0.09713 -0.01600 16 2 H 1S 0.13407 0.06202 -0.09470 -0.13528 0.14667 17 2S 0.17608 -0.00747 -0.38257 -0.15367 0.13533 18 3 C 1S 0.01120 0.00159 0.00062 -0.01337 0.01750 19 2S 0.12776 -0.04650 0.03937 0.04252 0.13330 20 2PX 0.01427 -0.02872 -0.06887 -0.03690 -0.03997 21 2PY 0.00422 -0.10432 -0.07998 0.10461 0.01457 22 2PZ -0.01975 0.05746 0.12899 0.06143 0.05675 23 3S -0.66174 0.03966 0.15076 1.13087 -0.50568 24 3PX 0.42060 0.01358 -0.38195 -0.36695 0.21092 25 3PY -0.18692 0.12175 0.48977 0.44232 0.04538 26 3PZ -0.38482 -0.04921 0.43170 0.50824 -0.15329 27 4XX -0.00107 -0.02468 0.17801 0.03256 0.00910 28 4YY -0.01867 0.17846 -0.02434 0.12601 0.01526 29 4ZZ -0.02577 -0.15698 -0.15878 -0.13240 0.04005 30 4XY 0.03982 -0.08719 -0.00685 0.05156 -0.00801 31 4XZ -0.11715 0.10995 0.22752 0.01494 0.28916 32 4YZ 0.01834 0.01934 -0.20088 0.00386 -0.00588 33 4 H 1S -0.12013 0.05723 0.39214 0.13915 0.12443 34 2S -0.17608 0.00084 0.22452 0.18646 -0.04360 35 5 C 1S -0.01126 0.00164 0.00062 0.01329 0.01744 36 2S -0.12879 -0.04577 0.03922 -0.04283 0.13418 37 2PX -0.01447 -0.02882 -0.06880 0.03649 -0.04059 38 2PY 0.00510 0.10435 0.07928 0.10516 -0.01611 39 2PZ 0.02033 0.05760 0.12897 -0.06116 0.05701 40 3S 0.66416 0.03470 0.15362 -1.12728 -0.49729 41 3PX -0.42357 0.01618 -0.38311 0.36503 0.20767 42 3PY -0.19185 -0.11844 -0.49172 0.44251 -0.04813 43 3PZ 0.38719 -0.05271 0.43281 -0.50536 -0.14585 44 4XX 0.00283 -0.02491 0.17813 -0.03273 0.00790 45 4YY 0.01903 0.17841 -0.02473 -0.12611 0.01589 46 4ZZ 0.02356 -0.15695 -0.15856 0.13253 0.04073 47 4XY 0.04001 0.08675 0.00642 0.05170 0.00608 48 4XZ 0.11829 0.10967 0.22724 -0.01497 0.29047 49 4YZ 0.01855 -0.01875 0.20136 0.00336 0.00642 50 6 H 1S 0.12193 0.05620 0.39262 -0.13898 0.12702 51 2S 0.17775 -0.00070 0.22518 -0.18574 -0.04158 52 7 C 1S -0.02080 0.00896 0.01310 -0.01183 -0.00016 53 2S -0.21901 -0.15002 0.42578 0.03067 -0.08172 54 2PX -0.01511 0.10639 -0.05169 -0.04982 0.09434 55 2PY -0.08193 0.01656 -0.17818 -0.05571 -0.03217 56 2PZ 0.16337 -0.16049 0.07947 0.02018 -0.01084 57 3S 1.44108 0.16594 -1.04549 0.80604 0.31154 58 3PX -0.50965 -0.19305 -0.05118 0.53088 -0.05615 59 3PY 0.00141 -0.12774 1.24153 -0.64050 -0.39986 60 3PZ 0.64754 0.22877 -0.24843 0.03680 -0.19222 61 4XX 0.03767 0.00094 0.03385 0.00856 0.15846 62 4YY -0.00231 -0.04515 -0.07307 -0.12210 -0.12262 63 4ZZ 0.01897 0.08805 0.02374 0.11643 0.04571 64 4XY 0.13162 0.12395 0.15914 -0.36454 0.14627 65 4XZ 0.14283 -0.03948 0.01899 0.33655 0.15197 66 4YZ -0.03596 -0.24419 0.06026 0.09689 0.01386 67 8 H 1S -0.13531 0.06217 -0.09409 0.13414 0.14801 68 2S -0.17996 -0.00680 -0.38274 0.15169 0.13175 69 9 C 1S 0.12516 -0.00049 -0.00860 0.00077 -0.00937 70 2S 1.56328 0.13977 -0.14329 0.27104 -0.08283 71 2PX -0.02248 -0.05744 -0.02227 0.12186 -0.03218 72 2PY 0.06232 -0.22730 0.09234 -0.00424 -0.05475 73 2PZ -0.12537 0.09399 0.00639 -0.05129 0.02284 74 3S -5.60325 -0.21870 0.62466 -0.87180 0.28615 75 3PX 0.03190 0.14668 0.25794 -1.41122 0.03133 76 3PY 0.91567 0.24790 -0.20234 0.29174 0.23180 77 3PZ 0.81666 0.02713 -0.31885 0.05385 0.08236 78 4XX 0.02023 0.10457 -0.10951 0.22983 0.11889 79 4YY -0.02810 -0.30947 -0.03483 0.03661 -0.07213 80 4ZZ 0.05605 0.19184 0.16385 -0.28305 -0.03560 81 4XY 0.00590 0.11475 -0.01458 0.26239 -0.02152 82 4XZ -0.08617 -0.09055 -0.10665 0.01404 0.06864 83 4YZ 0.13368 -0.16814 0.36355 -0.03375 -0.02401 84 10 H 1S 0.40193 -0.04145 -0.08524 0.20820 -0.09558 85 2S 0.24823 -0.03901 -0.04072 0.39243 -0.06923 86 11 H 1S 0.43461 0.00211 -0.03725 -0.28159 -0.05627 87 2S 0.33081 0.06360 0.15417 -0.34519 -0.13292 88 12 C 1S -0.12520 -0.00021 -0.00832 -0.00080 -0.00993 89 2S -1.56424 0.14315 -0.13988 -0.27189 -0.08780 90 2PX 0.02239 -0.05772 -0.02198 -0.12190 -0.03156 91 2PY 0.06173 0.22707 -0.09272 -0.00502 0.05422 92 2PZ 0.12600 0.09408 0.00628 0.05122 0.02310 93 3S 5.60669 -0.23005 0.61064 0.87429 0.30164 94 3PX -0.03058 0.14706 0.25478 1.41173 0.02730 95 3PY 0.91850 -0.25042 0.20102 0.29400 -0.22781 96 3PZ -0.81754 0.02814 -0.31717 -0.05462 0.08062 97 4XX -0.02146 0.10457 -0.10880 -0.23128 0.11887 98 4YY 0.02714 -0.31014 -0.03398 -0.03600 -0.07180 99 4ZZ -0.05371 0.19253 0.16240 0.28380 -0.03582 100 4XY 0.00567 -0.11420 0.01408 0.26273 0.02257 101 4XZ 0.08566 -0.09090 -0.10743 -0.01511 0.07031 102 4YZ 0.13131 0.16691 -0.36475 -0.03583 0.02267 103 13 H 1S -0.43485 0.00320 -0.03718 0.28154 -0.05828 104 2S -0.33011 0.06417 0.15444 0.34576 -0.13549 105 14 H 1S -0.40267 -0.04054 -0.08394 -0.20789 -0.09743 106 2S -0.24792 -0.03860 -0.03869 -0.39215 -0.06858 107 15 C 1S -0.00445 0.00094 -0.01067 -0.00721 0.01803 108 2S 0.02472 -0.01267 -0.11772 -0.15404 0.34114 109 2PX 0.00449 0.01376 0.05837 -0.03466 -0.09213 110 2PY 0.10168 -0.04666 -0.07248 -0.00381 -0.02344 111 2PZ 0.09568 -0.03159 -0.02703 -0.01816 0.19975 112 3S -0.55501 0.02148 -0.05238 0.62467 -0.44008 113 3PX 0.66855 -0.11412 -0.00249 -0.02006 0.01578 114 3PY -0.84053 0.08861 0.40074 0.30311 0.00262 115 3PZ -0.98789 0.07925 0.28908 0.09482 -0.19229 116 4XX 0.00568 0.01892 0.05993 -0.01958 -0.08709 117 4YY 0.01901 0.02049 -0.03285 0.00520 0.11475 118 4ZZ -0.08178 -0.05410 -0.03550 0.03338 -0.06585 119 4XY 0.10768 -0.07364 -0.16410 -0.04419 0.20094 120 4XZ -0.09210 -0.07367 0.11054 -0.00080 0.13473 121 4YZ -0.02531 0.05055 0.00501 -0.04252 -0.26241 122 16 H 1S -0.17868 -0.04748 0.09579 -0.00904 0.25645 123 2S -0.60245 0.10284 0.21769 0.01314 -0.08559 124 17 C 1S 0.00431 0.00094 -0.01067 0.00721 0.01825 125 2S -0.02535 -0.01299 -0.11667 0.15407 0.34304 126 2PX -0.00511 0.01364 0.05858 0.03443 -0.09239 127 2PY 0.10186 0.04655 0.07235 -0.00403 0.01822 128 2PZ -0.09589 -0.03126 -0.02676 0.01805 0.19941 129 3S 0.56328 0.02067 -0.05921 -0.62417 -0.43247 130 3PX -0.66945 -0.11244 0.00124 0.02089 0.02033 131 3PY -0.83682 -0.08644 -0.39724 0.30326 -0.01953 132 3PZ 0.98568 0.07628 0.28535 -0.09351 -0.17685 133 4XX -0.00663 0.01901 0.05959 0.02020 -0.08656 134 4YY -0.01804 0.02060 -0.03287 -0.00588 0.11507 135 4ZZ 0.08118 -0.05437 -0.03534 -0.03286 -0.06607 136 4XY 0.10464 0.07366 0.16379 -0.04395 -0.20804 137 4XZ 0.09059 -0.07377 0.11058 0.00169 0.13956 138 4YZ -0.02681 -0.05044 -0.00504 -0.04281 0.26461 139 18 H 1S 0.17588 -0.04791 0.09524 0.00895 0.26508 140 2S 0.59982 0.10091 0.21609 -0.01291 -0.07837 141 19 O 1S -0.01598 0.02680 0.00085 0.00055 0.00957 142 2S -0.12649 0.43353 0.07420 -0.01494 0.12870 143 2PX 0.01738 -0.01195 0.05339 -0.01823 -0.00284 144 2PY 0.04151 0.02606 0.06291 -0.00826 0.03630 145 2PZ 0.02534 -0.01222 0.00899 -0.00860 0.05795 146 3S 0.74564 -1.41961 -0.11183 -0.04216 -0.41888 147 3PX 0.01815 0.14196 0.02389 -0.00797 -0.09527 148 3PY 0.13222 -0.46490 -0.19637 -0.00593 -0.16153 149 3PZ 0.02834 -0.09752 -0.16016 0.01390 -0.09652 150 4XX 0.00919 0.05151 -0.01719 0.02100 0.00635 151 4YY -0.15933 0.18218 -0.03346 -0.01712 0.09098 152 4ZZ 0.01546 0.03335 0.09941 -0.00408 0.00559 153 4XY -0.02237 0.06682 -0.12533 -0.00436 -0.02479 154 4XZ -0.13725 -0.16386 -0.01457 0.05724 0.08181 155 4YZ 0.05528 0.10444 -0.00230 -0.01791 -0.15839 156 20 O 1S 0.01612 0.02679 0.00073 -0.00052 0.00920 157 2S 0.12863 0.43375 0.07218 0.01588 0.12999 158 2PX -0.01701 -0.01189 0.05315 0.01845 -0.00166 159 2PY 0.04271 -0.02618 -0.06260 -0.00854 -0.04161 160 2PZ -0.02591 -0.01217 0.00886 0.00863 0.05893 161 3S -0.75331 -1.41902 -0.10545 0.04013 -0.41575 162 3PX -0.02193 0.14183 0.02492 0.00808 -0.09866 163 3PY 0.13036 0.46503 0.19500 -0.00489 0.16874 164 3PZ -0.02399 -0.09664 -0.16005 -0.01442 -0.09914 165 4XX -0.00934 0.05167 -0.01739 -0.02080 0.00807 166 4YY 0.16115 0.18245 -0.03426 0.01743 0.07994 167 4ZZ -0.01593 0.03294 0.09907 0.00408 0.01370 168 4XY -0.02438 -0.06683 0.12542 -0.00418 0.03082 169 4XZ 0.13580 -0.16431 -0.01400 -0.05717 0.07710 170 4YZ 0.05609 -0.10430 0.00205 -0.01785 0.15519 171 21 C 1S -0.00004 -0.02976 0.01144 -0.00002 -0.03003 172 2S -0.00103 -0.45853 0.14928 0.00016 -0.28420 173 2PX -0.00052 -0.02924 0.09249 0.00033 -0.07294 174 2PY 0.10019 0.00007 -0.00019 -0.01881 -0.00087 175 2PZ 0.00060 -0.06266 -0.04586 -0.00007 0.02807 176 3S -0.00016 1.87743 0.00980 0.00117 0.93688 177 3PX 0.00062 0.31878 -0.12443 -0.00034 0.72030 178 3PY 0.19501 0.00036 -0.00050 0.01342 -0.00260 179 3PZ -0.00184 -0.47271 0.13227 -0.00025 0.04967 180 4XX 0.00076 0.03870 -0.15269 -0.00021 0.15383 181 4YY -0.00107 0.15491 0.19585 0.00023 -0.39621 182 4ZZ 0.00029 -0.17935 -0.04505 -0.00006 0.27173 183 4XY 0.09822 -0.00009 -0.00028 -0.03606 -0.00009 184 4XZ -0.00132 -0.05064 0.12547 0.00000 -0.20789 185 4YZ 0.00617 0.00039 0.00031 -0.06810 0.00048 186 22 H 1S -0.00033 -0.20695 0.07902 -0.00001 -0.03294 187 2S 0.00015 -0.13994 -0.06797 -0.00044 0.20140 188 23 H 1S 0.00041 -0.00302 0.01384 -0.00011 -0.36257 189 2S 0.00079 -0.09478 -0.09031 -0.00007 -0.08643 136 137 138 139 140 V V V V V Eigenvalues -- 1.88533 1.90842 1.93559 1.95825 1.97651 1 1 C 1S 0.00091 0.00100 -0.00061 0.02231 0.00865 2 2S -0.06332 -0.07260 -0.00638 0.45011 -0.13906 3 2PX 0.02154 -0.03840 0.06503 -0.04116 -0.10358 4 2PY 0.06523 0.02143 0.06602 0.15559 -0.12404 5 2PZ 0.04852 -0.01929 0.02304 0.05157 0.06881 6 3S 0.27603 -0.15030 0.12203 -1.30990 -0.15018 7 3PX -0.18366 -0.20298 -0.21548 -0.07890 0.24056 8 3PY -0.20836 -0.34753 0.24334 0.17007 0.18017 9 3PZ 0.03128 0.25753 -0.17311 -0.13914 -0.15975 10 4XX 0.04026 -0.09770 0.18919 0.25823 -0.00270 11 4YY -0.10706 -0.03209 -0.08121 -0.40755 -0.00088 12 4ZZ 0.08232 0.07972 -0.04366 0.09305 -0.03633 13 4XY -0.05072 -0.01384 -0.29714 -0.13360 0.06829 14 4XZ 0.01538 -0.25175 0.00987 -0.11337 -0.09566 15 4YZ 0.07458 0.04777 -0.10501 -0.15533 -0.06219 16 2 H 1S 0.00931 -0.00858 0.16342 0.51595 0.04456 17 2S -0.14878 -0.14799 0.07161 0.05853 0.06138 18 3 C 1S -0.00104 -0.01178 0.00812 -0.00048 0.00030 19 2S 0.06375 -0.33219 -0.05948 -0.08458 0.04754 20 2PX -0.03159 0.04519 -0.02083 0.05767 -0.01298 21 2PY 0.04241 -0.09977 -0.08263 0.17788 0.07853 22 2PZ 0.02428 0.00535 0.01642 -0.05943 0.00784 23 3S 0.13005 0.61450 -0.13953 0.17542 -0.20708 24 3PX -0.05276 -0.25576 0.13999 -0.34445 -0.05897 25 3PY 0.15287 0.10446 0.10948 -0.33977 -0.05192 26 3PZ 0.19090 0.21715 -0.02490 0.46704 0.09445 27 4XX -0.01870 -0.15601 -0.20951 -0.10425 0.10873 28 4YY 0.03043 0.21604 0.20222 0.01483 -0.12236 29 4ZZ 0.00206 -0.14538 0.00740 0.05803 -0.00006 30 4XY 0.03801 0.03304 -0.01497 0.09653 0.19747 31 4XZ 0.06647 -0.12680 0.14331 0.11736 -0.04735 32 4YZ -0.01205 -0.14853 -0.00691 -0.15019 -0.20455 33 4 H 1S 0.10421 0.10307 0.07297 0.19752 0.17457 34 2S 0.07021 0.01835 -0.02630 0.03612 0.02121 35 5 C 1S 0.00154 -0.01171 0.00805 0.00061 0.00030 36 2S -0.05870 -0.33208 -0.05902 0.08603 0.04614 37 2PX 0.03034 0.04519 -0.02123 -0.05808 -0.01262 38 2PY 0.04144 0.10094 0.08173 0.17725 -0.07708 39 2PZ -0.02290 0.00540 0.01682 0.05976 0.00749 40 3S -0.14561 0.60979 -0.13467 -0.18017 -0.20277 41 3PX 0.05937 -0.25287 0.13754 0.34632 -0.05869 42 3PY 0.15330 -0.10582 -0.10791 -0.33924 0.04767 43 3PZ -0.19588 0.21350 -0.02205 -0.46879 0.09386 44 4XX 0.01948 -0.15517 -0.21017 0.10487 0.11016 45 4YY -0.03094 0.21522 0.20259 -0.01477 -0.12377 46 4ZZ -0.00037 -0.14532 0.00762 -0.05834 0.00009 47 4XY 0.03818 -0.03224 0.01286 0.09666 -0.19574 48 4XZ -0.05862 -0.12792 0.14380 -0.11504 -0.04924 49 4YZ -0.01264 0.14888 0.00717 -0.15049 0.20362 50 6 H 1S -0.10161 0.10185 0.07371 -0.19664 0.17307 51 2S -0.07166 0.01783 -0.02603 -0.03628 0.02185 52 7 C 1S -0.00094 0.00079 -0.00033 -0.02246 0.00843 53 2S 0.06120 -0.07550 -0.00186 -0.45112 -0.14273 54 2PX -0.01928 -0.03803 0.06459 0.04135 -0.10323 55 2PY 0.06476 -0.02054 -0.06646 0.15526 0.12469 56 2PZ -0.04877 -0.01930 0.02223 -0.05129 0.06943 57 3S -0.26567 -0.14123 0.10631 1.31613 -0.14082 58 3PX 0.18368 -0.20360 -0.21365 0.07930 0.23861 59 3PY -0.22134 0.34536 -0.24043 0.16850 -0.17657 60 3PZ -0.03615 0.25634 -0.17209 0.13907 -0.16059 61 4XX -0.03594 -0.09739 0.18740 -0.25707 -0.00316 62 4YY 0.10369 -0.02973 -0.08249 0.40707 0.00222 63 4ZZ -0.08110 0.07737 -0.04122 -0.09350 -0.03829 64 4XY -0.04783 0.01432 0.29678 -0.13427 -0.06896 65 4XZ -0.01059 -0.25124 0.00989 0.11418 -0.09533 66 4YZ 0.07549 -0.04700 0.10327 -0.15386 0.06303 67 8 H 1S -0.00538 -0.01088 0.16516 -0.51577 0.04016 68 2S 0.15318 -0.14772 0.07211 -0.05849 0.06024 69 9 C 1S -0.03199 0.03083 0.00555 0.00098 -0.01534 70 2S -0.31354 -0.12610 -0.24166 -0.14925 -0.04516 71 2PX 0.02947 -0.00904 0.06666 0.02861 0.05592 72 2PY 0.00184 0.08269 0.11071 0.10591 -0.05511 73 2PZ 0.01201 0.02280 0.01459 0.08733 0.03098 74 3S 1.12682 -0.29059 0.19216 0.13609 0.32731 75 3PX -0.19186 0.10207 0.10064 -0.51969 -0.16901 76 3PY -0.20767 -0.29392 -0.05719 -0.60663 0.17922 77 3PZ -0.16830 -0.03801 0.05557 -0.36470 -0.12768 78 4XX 0.01292 -0.29084 -0.00250 -0.07580 0.10301 79 4YY 0.02234 0.32163 0.22703 -0.05316 -0.18753 80 4ZZ -0.03346 -0.02353 -0.18619 0.16096 0.08950 81 4XY -0.02037 0.13122 0.24687 0.05136 0.00582 82 4XZ 0.06297 -0.21145 0.09388 -0.16564 0.05262 83 4YZ 0.00749 -0.04035 0.01582 0.30081 -0.02931 84 10 H 1S -0.09195 0.22302 -0.12122 0.12691 -0.08428 85 2S 0.01240 -0.03389 -0.02077 0.28846 0.07809 86 11 H 1S -0.12493 0.25337 0.17319 -0.12571 -0.08086 87 2S -0.13264 -0.00197 -0.06398 0.03173 -0.07967 88 12 C 1S 0.03167 0.03119 0.00551 -0.00094 -0.01519 89 2S 0.31260 -0.12361 -0.23993 0.14937 -0.04512 90 2PX -0.03038 -0.00938 0.06671 -0.02889 0.05559 91 2PY 0.00367 -0.08225 -0.11109 0.10607 0.05580 92 2PZ -0.01156 0.02299 0.01368 -0.08701 0.03174 93 3S -1.12094 -0.30034 0.18677 -0.13771 0.32398 94 3PX 0.19181 0.10242 0.10305 0.52066 -0.16829 95 3PY -0.21447 0.28986 0.05825 -0.60672 -0.18422 96 3PZ 0.17097 -0.03763 0.06014 0.36512 -0.12902 97 4XX -0.00874 -0.29038 -0.00258 0.07544 0.10349 98 4YY -0.02550 0.32116 0.22713 0.05237 -0.18787 99 4ZZ 0.03271 -0.02355 -0.18636 -0.15962 0.08929 100 4XY -0.01863 -0.13273 -0.24528 0.05112 -0.00758 101 4XZ -0.06039 -0.21285 0.09476 0.16673 0.05247 102 4YZ 0.00793 0.04204 -0.01599 0.30053 0.03100 103 13 H 1S 0.12241 0.25430 0.17416 0.12603 -0.08059 104 2S 0.12970 -0.00123 -0.06346 -0.03124 -0.07918 105 14 H 1S 0.08904 0.22429 -0.12197 -0.12754 -0.08395 106 2S -0.01394 -0.03384 -0.02142 -0.28885 0.07742 107 15 C 1S 0.00850 0.01009 -0.00129 -0.01407 -0.00141 108 2S 0.12558 0.02666 0.13786 -0.13325 0.21004 109 2PX 0.01775 -0.08800 0.07087 -0.06242 -0.11991 110 2PY 0.18477 0.00173 -0.00925 0.04360 -0.02317 111 2PZ -0.01859 0.05378 -0.04864 -0.02414 0.07342 112 3S 0.21818 0.11122 -0.26828 0.61335 0.17298 113 3PX 0.07241 0.01229 -0.06425 -0.08277 0.17815 114 3PY 0.80677 -0.06914 -0.04207 -0.01377 -0.29265 115 3PZ 0.63013 0.07138 -0.25294 0.35366 -0.34154 116 4XX -0.00927 0.04226 -0.13843 -0.01700 -0.10706 117 4YY 0.04756 0.02496 0.08083 0.04698 0.10440 118 4ZZ -0.03408 -0.02777 0.00795 0.00801 -0.01144 119 4XY 0.27633 0.03987 0.00676 -0.03143 -0.09510 120 4XZ 0.17199 0.18060 -0.14890 0.05851 0.22086 121 4YZ -0.05890 -0.13155 0.22193 -0.02817 0.22509 122 16 H 1S 0.36923 0.12321 -0.22639 -0.01819 -0.25889 123 2S 0.35048 -0.04240 0.01606 0.05940 -0.19207 124 17 C 1S -0.00819 0.01023 -0.00153 0.01407 -0.00145 125 2S -0.11933 0.03079 0.13174 0.13322 0.21460 126 2PX -0.01985 -0.08723 0.06985 0.06289 -0.12040 127 2PY 0.18636 -0.00092 0.00892 0.04411 0.02158 128 2PZ 0.02370 0.05448 -0.04902 0.02406 0.07504 129 3S -0.22700 0.09000 -0.24442 -0.61561 0.16811 130 3PX -0.07297 0.01484 -0.06567 0.08214 0.17641 131 3PY 0.80574 0.07762 0.03823 -0.01523 0.29337 132 3PZ -0.63269 0.06040 -0.24822 -0.35323 -0.34515 133 4XX 0.00571 0.04141 -0.13725 0.01622 -0.10831 134 4YY -0.04330 0.02426 0.08176 -0.04629 0.10688 135 4ZZ 0.03203 -0.02705 0.00665 -0.00834 -0.01261 136 4XY 0.27129 -0.03979 -0.00542 -0.03157 0.09258 137 4XZ -0.16861 0.17900 -0.14893 -0.05938 0.22233 138 4YZ -0.05355 0.13128 -0.22110 -0.02810 -0.22477 139 18 H 1S -0.36313 0.12133 -0.22704 0.01859 -0.25791 140 2S -0.35199 -0.04563 0.01550 -0.05825 -0.19331 141 19 O 1S -0.01500 0.01048 -0.01799 0.01367 -0.01454 142 2S 0.01869 0.27146 -0.24524 -0.03307 0.29057 143 2PX 0.00864 0.05263 -0.06149 0.03530 0.05643 144 2PY 0.21210 0.03322 -0.02577 -0.07755 0.09448 145 2PZ 0.05626 -0.00179 -0.07267 -0.09216 -0.13486 146 3S 0.17340 -0.76691 0.83668 -0.28027 -0.27897 147 3PX -0.05613 -0.15399 0.21031 -0.15359 0.06971 148 3PY -0.29914 -0.19337 0.27906 0.07094 -0.02959 149 3PZ -0.14238 -0.01394 0.20840 0.18057 0.27493 150 4XX 0.07854 0.05607 -0.05278 0.00811 -0.03641 151 4YY -0.44162 0.11100 -0.10731 0.08101 0.07341 152 4ZZ 0.29981 -0.01604 0.01199 -0.03832 0.05572 153 4XY -0.24570 -0.00685 0.11361 -0.05779 0.16065 154 4XZ -0.17038 0.00748 0.07792 0.04299 0.21563 155 4YZ 0.12431 -0.06770 0.13188 0.02419 0.12253 156 20 O 1S 0.01516 0.01034 -0.01783 -0.01368 -0.01430 157 2S -0.01677 0.26787 -0.24155 0.03163 0.28702 158 2PX -0.00852 0.05216 -0.06121 -0.03522 0.05886 159 2PY 0.21118 -0.03203 0.02547 -0.07754 -0.09126 160 2PZ -0.05469 -0.00198 -0.07244 0.09229 -0.13758 161 3S -0.17955 -0.75542 0.82519 0.28342 -0.27544 162 3PX 0.05304 -0.15062 0.20716 0.15322 0.06749 163 3PY -0.29629 0.18994 -0.27737 0.07084 0.02668 164 3PZ 0.14051 -0.01409 0.20903 -0.18124 0.27857 165 4XX -0.07841 0.05548 -0.05212 -0.00792 -0.03699 166 4YY 0.44231 0.11106 -0.10567 -0.08157 0.07395 167 4ZZ -0.29883 -0.01738 0.01166 0.03814 0.05463 168 4XY -0.24495 0.00624 -0.11460 -0.05675 -0.15766 169 4XZ 0.17214 0.00879 0.07679 -0.04347 0.21390 170 4YZ 0.12932 0.06859 -0.13239 0.02429 -0.12583 171 21 C 1S -0.00025 -0.01992 0.01311 0.00007 -0.02275 172 2S -0.00221 -0.21787 0.13189 0.00019 -0.06190 173 2PX -0.00084 -0.01865 -0.04904 -0.00010 0.00804 174 2PY 0.04617 -0.00025 0.00040 0.10101 -0.00267 175 2PZ 0.00046 -0.00152 -0.00204 0.00024 -0.03363 176 3S 0.00673 0.83017 -0.80754 -0.00179 0.47160 177 3PX 0.00756 0.40584 -0.51737 0.00079 -0.37590 178 3PY 0.19163 0.00023 -0.00002 -0.04603 0.00175 179 3PZ 0.00142 -0.04800 -0.11608 0.00114 -0.39613 180 4XX 0.00161 0.08990 0.10194 -0.00054 0.28111 181 4YY -0.00452 -0.16348 -0.01001 0.00021 -0.30413 182 4ZZ 0.00316 0.09556 -0.09594 0.00031 0.02598 183 4XY 0.05578 0.00016 -0.00024 -0.16957 0.00368 184 4XZ -0.00234 -0.10490 0.11044 -0.00030 0.07870 185 4YZ -0.10770 -0.00056 0.00045 0.09184 -0.00425 186 22 H 1S 0.00010 -0.05458 -0.13306 0.00092 -0.38112 187 2S 0.00258 0.06041 -0.06772 0.00052 -0.19209 188 23 H 1S -0.00392 -0.16444 0.21641 -0.00014 0.02307 189 2S -0.00065 -0.10717 0.17349 -0.00033 0.12477 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98103 2.00055 2.01937 2.04155 1 1 C 1S -0.02215 -0.02596 -0.01426 -0.00225 -0.00015 2 2S -0.24614 -0.16336 -0.71109 0.00391 -0.31332 3 2PX 0.02914 -0.00238 -0.05423 -0.04531 0.01671 4 2PY -0.04342 0.00754 -0.15641 -0.01459 -0.08961 5 2PZ 0.06724 0.13080 0.08151 0.04387 -0.02957 6 3S 0.71000 0.77415 1.44481 -0.11534 0.58238 7 3PX -0.14497 -0.12472 0.01450 0.00374 0.12351 8 3PY -0.17551 0.01929 0.63606 -0.18128 0.64324 9 3PZ -0.23300 -0.47725 -0.12300 -0.18001 0.01762 10 4XX 0.02303 0.15877 0.02067 -0.03418 0.00171 11 4YY 0.19600 0.07409 -0.15671 0.05953 -0.07055 12 4ZZ -0.19896 -0.23571 0.14335 -0.05543 0.11707 13 4XY 0.04079 -0.02358 0.10265 -0.07687 -0.00351 14 4XZ 0.01546 0.02090 -0.03517 -0.07351 0.00916 15 4YZ -0.14497 -0.26584 -0.04930 -0.06727 -0.00878 16 2 H 1S -0.26623 -0.11538 0.07401 -0.05784 0.14449 17 2S -0.08825 -0.06337 0.06791 -0.07723 0.16319 18 3 C 1S 0.00029 0.00209 0.01314 -0.00287 0.01248 19 2S -0.16690 -0.20998 0.04954 -0.06187 0.08338 20 2PX 0.04662 0.07264 0.00636 0.02327 -0.00587 21 2PY -0.09878 -0.07496 0.11761 0.01860 0.06569 22 2PZ -0.04725 -0.07102 0.05129 0.02834 0.03899 23 3S 0.33960 0.16334 -0.66125 0.06573 -0.45630 24 3PX 0.01740 0.05705 0.13842 -0.11285 0.18191 25 3PY 0.37017 0.35510 -0.05567 0.05374 -0.10298 26 3PZ 0.00256 -0.00160 -0.09508 0.08197 -0.20422 27 4XX 0.05338 0.02259 0.08268 0.06085 0.03510 28 4YY -0.06063 -0.07571 -0.10505 -0.08444 -0.02056 29 4ZZ 0.01043 0.04621 0.04942 0.04601 0.01016 30 4XY -0.10592 -0.11632 0.24391 0.02775 0.08039 31 4XZ -0.10200 -0.07928 0.08743 -0.00296 0.14135 32 4YZ 0.01338 -0.05204 -0.32306 -0.08092 -0.12319 33 4 H 1S -0.09320 -0.05793 0.30317 0.06077 0.13023 34 2S 0.06124 0.04395 -0.08001 0.02814 -0.10709 35 5 C 1S -0.00027 -0.00208 0.01314 -0.00285 0.01244 36 2S 0.16791 0.21011 0.04487 -0.05951 0.08173 37 2PX -0.04677 -0.07258 0.00793 0.02275 -0.00551 38 2PY -0.10114 -0.07590 -0.11635 -0.01919 -0.06546 39 2PZ 0.04759 0.07126 0.04979 0.02889 0.03857 40 3S -0.34461 -0.16381 -0.65270 0.05785 -0.44956 41 3PX -0.01891 -0.05771 0.13724 -0.11064 0.18016 42 3PY 0.37241 0.35643 0.04883 -0.04997 0.10133 43 3PZ -0.00057 0.00160 -0.09260 0.07867 -0.20180 44 4XX -0.05036 -0.02143 0.08322 0.06097 0.03495 45 4YY 0.05737 0.07499 -0.10772 -0.08408 -0.02135 46 4ZZ -0.01058 -0.04682 0.05152 0.04541 0.01113 47 4XY -0.11141 -0.11786 -0.24235 -0.02825 -0.08004 48 4XZ 0.10054 0.07899 0.08542 -0.00266 0.14073 49 4YZ 0.01966 -0.04973 0.32326 0.08046 0.12352 50 6 H 1S 0.09799 0.05937 0.30222 0.06093 0.12992 51 2S -0.06150 -0.04467 -0.07855 0.02685 -0.10642 52 7 C 1S 0.02235 0.02603 -0.01464 -0.00216 -0.00018 53 2S 0.23895 0.15918 -0.71270 0.00370 -0.31255 54 2PX -0.03139 0.00215 -0.05474 -0.04531 0.01641 55 2PY -0.03963 0.00895 0.15594 0.01476 0.08940 56 2PZ -0.06612 -0.13122 0.08363 0.04296 -0.02886 57 3S -0.70646 -0.76874 1.45303 -0.11488 0.58073 58 3PX 0.14980 0.12489 0.01403 0.00542 0.12241 59 3PY -0.18174 0.01655 -0.63379 0.17803 -0.64041 60 3PZ 0.23152 0.48026 -0.13059 -0.17697 0.01512 61 4XX -0.02424 -0.15995 0.02204 -0.03494 0.00201 62 4YY -0.19641 -0.07420 -0.15567 0.05890 -0.06991 63 4ZZ 0.19974 0.23698 0.14071 -0.05385 0.11603 64 4XY 0.03740 -0.02579 -0.10321 0.07692 0.00373 65 4XZ -0.01758 -0.02134 -0.03514 -0.07350 0.00905 66 4YZ -0.14541 -0.26726 0.05246 0.06586 0.00961 67 8 H 1S 0.26725 0.11569 0.07183 -0.05673 0.14366 68 2S 0.08952 0.06331 0.06668 -0.07611 0.16238 69 9 C 1S 0.01801 0.02126 0.01864 -0.00577 0.00653 70 2S -0.03356 -0.17864 0.10283 -0.02205 -0.13009 71 2PX -0.01988 -0.00623 -0.00898 0.03793 -0.01759 72 2PY -0.03464 -0.02608 -0.06316 0.02084 -0.02113 73 2PZ 0.08582 0.14601 0.05587 -0.00122 0.07351 74 3S -0.33485 -0.09777 -0.61324 0.16360 -0.07765 75 3PX -0.13328 -0.39305 -0.03300 0.05903 -0.12190 76 3PY 0.28834 0.07717 0.01244 -0.01466 0.08602 77 3PZ -0.17585 -0.39917 0.17548 -0.07672 0.00510 78 4XX 0.01351 -0.06978 -0.03322 0.02135 -0.05610 79 4YY -0.05051 -0.06849 -0.00720 -0.03838 0.05109 80 4ZZ 0.04508 0.16991 0.06819 0.01656 0.03098 81 4XY 0.18279 0.21557 0.05058 0.10413 -0.03745 82 4XZ -0.09293 -0.20690 -0.01017 0.03140 -0.00539 83 4YZ -0.08572 0.00867 -0.10415 0.04294 -0.13131 84 10 H 1S 0.08638 0.17032 0.05655 -0.08927 0.07341 85 2S 0.02188 0.12251 0.03593 0.02563 0.02113 86 11 H 1S 0.00112 -0.01144 0.10602 0.03073 0.01870 87 2S 0.01087 -0.11394 0.02969 0.04743 -0.10297 88 12 C 1S -0.01804 -0.02094 0.01887 -0.00584 0.00656 89 2S 0.03368 0.17916 0.09961 -0.02013 -0.13176 90 2PX 0.02033 0.00562 -0.00938 0.03795 -0.01750 91 2PY -0.03290 -0.02562 0.06337 -0.02094 0.02117 92 2PZ -0.08491 -0.14562 0.05811 -0.00247 0.07449 93 3S 0.33481 0.09077 -0.61379 0.16398 -0.07722 94 3PX 0.13015 0.39370 -0.03590 0.06265 -0.12533 95 3PY 0.28543 0.07840 -0.01356 0.01522 -0.08656 96 3PZ 0.17450 0.39994 0.17020 -0.07371 0.00250 97 4XX -0.01397 0.06616 -0.03437 0.02159 -0.05639 98 4YY 0.04807 0.07009 -0.00866 -0.03782 0.05041 99 4ZZ -0.04201 -0.16772 0.07122 0.01555 0.03210 100 4XY 0.18301 0.21539 -0.05334 -0.10266 0.03640 101 4XZ 0.09231 0.20542 -0.01288 0.03234 -0.00594 102 4YZ -0.08341 0.01058 0.10374 -0.04284 0.13137 103 13 H 1S -0.00146 0.01337 0.10631 0.03117 0.01843 104 2S -0.01184 0.11490 0.02913 0.04815 -0.10411 105 14 H 1S -0.08555 -0.16767 0.05812 -0.09017 0.07405 106 2S -0.02058 -0.12283 0.03690 0.02451 0.02220 107 15 C 1S 0.01318 0.01668 0.00834 0.00488 0.00225 108 2S 0.43654 0.27228 -0.04647 0.16488 0.30927 109 2PX 0.00783 0.12740 0.12038 0.04863 0.03449 110 2PY 0.04855 -0.03943 -0.09394 0.20082 0.19571 111 2PZ 0.08719 -0.02062 -0.04873 0.05686 -0.01646 112 3S -1.15361 -1.15964 -0.51817 -0.20681 -0.08768 113 3PX -0.04847 -0.25962 -0.27595 -0.15794 -0.01383 114 3PY -0.20690 0.00848 0.39424 -0.09277 -0.44027 115 3PZ -0.30934 -0.16934 0.07112 0.09318 -0.23921 116 4XX -0.08999 -0.08137 -0.09446 0.32997 0.02774 117 4YY 0.08054 -0.05398 0.18170 -0.35531 -0.29992 118 4ZZ 0.00814 0.07418 -0.14966 0.05672 0.28507 119 4XY 0.12809 0.00597 0.07198 0.12514 -0.02073 120 4XZ 0.08688 -0.09673 -0.23416 -0.06445 -0.17920 121 4YZ 0.02103 0.02273 -0.11095 -0.25554 0.18266 122 16 H 1S 0.09391 0.07703 0.16365 0.28244 -0.27922 123 2S -0.05167 0.07124 0.20962 -0.03483 -0.09379 124 17 C 1S -0.01316 -0.01673 0.00865 0.00492 0.00215 125 2S -0.43563 -0.27580 -0.04170 0.16376 0.30736 126 2PX -0.00966 -0.12657 0.12109 0.04869 0.03447 127 2PY 0.05028 -0.03895 0.09390 -0.20023 -0.19581 128 2PZ -0.08608 0.01963 -0.04826 0.05615 -0.01727 129 3S 1.15739 1.16144 -0.53292 -0.21127 -0.07669 130 3PX 0.05085 0.25838 -0.27900 -0.15466 -0.01937 131 3PY -0.20482 0.00591 -0.39432 0.09817 0.43566 132 3PZ 0.30498 0.17263 0.07196 0.09037 -0.23482 133 4XX 0.08710 0.08141 -0.09530 0.33076 0.02783 134 4YY -0.07673 0.05437 0.18144 -0.35666 -0.29902 135 4ZZ -0.00932 -0.07462 -0.14860 0.05714 0.28442 136 4XY 0.12977 0.00594 -0.07297 -0.12414 0.02173 137 4XZ -0.08316 0.09517 -0.23319 -0.06564 -0.17941 138 4YZ 0.01851 0.02465 0.11114 0.25438 -0.18368 139 18 H 1S -0.09659 -0.07550 0.16628 0.28075 -0.27896 140 2S 0.04921 -0.06962 0.21102 -0.03644 -0.09247 141 19 O 1S 0.00897 -0.01990 -0.00312 0.02235 0.00277 142 2S -0.28511 -0.07149 -0.39914 0.05218 0.17449 143 2PX 0.11988 -0.16793 -0.06305 -0.24723 -0.05490 144 2PY -0.16547 0.14677 -0.06949 0.00247 0.03495 145 2PZ -0.14322 0.09021 0.01826 0.08238 0.12277 146 3S 0.50106 0.48309 0.83332 -0.45982 -0.37907 147 3PX -0.01937 0.37009 0.07028 0.42579 0.07702 148 3PY 0.19450 -0.08652 0.17957 -0.20432 -0.08737 149 3PZ 0.14515 -0.15497 0.01040 -0.01414 -0.29364 150 4XX -0.05324 0.08567 0.01649 -0.09470 0.10393 151 4YY -0.00413 -0.19268 -0.13252 -0.01386 0.09080 152 4ZZ -0.03989 0.03287 -0.04865 0.18424 -0.14726 153 4XY -0.19197 0.03723 -0.06199 0.26791 -0.02638 154 4XZ -0.03945 0.11271 -0.08656 -0.02816 0.01759 155 4YZ 0.14873 -0.09483 0.06404 0.06576 -0.22734 156 20 O 1S -0.00922 0.01997 -0.00314 0.02231 0.00288 157 2S 0.28825 0.06930 -0.40038 0.05161 0.17588 158 2PX -0.11786 0.16849 -0.06290 -0.24744 -0.05519 159 2PY -0.16693 0.14779 0.06932 -0.00219 -0.03549 160 2PZ 0.14091 -0.08903 0.01784 0.08271 0.12261 161 3S -0.50280 -0.48063 0.83626 -0.45714 -0.38520 162 3PX 0.01722 -0.37297 0.07140 0.42621 0.07632 163 3PY 0.19432 -0.08767 -0.17937 0.20251 0.08936 164 3PZ -0.14114 0.15245 0.01007 -0.01434 -0.29237 165 4XX 0.05345 -0.08476 0.01650 -0.09525 0.10476 166 4YY 0.00464 0.19259 -0.13340 -0.01263 0.09050 167 4ZZ 0.04010 -0.03458 -0.04824 0.18337 -0.14680 168 4XY -0.19224 0.04000 0.06364 -0.26943 0.02618 169 4XZ 0.04150 -0.11463 -0.08626 -0.02857 0.01759 170 4YZ 0.14761 -0.09282 -0.06462 -0.06528 0.22784 171 21 C 1S -0.00005 0.00014 0.03156 -0.02231 -0.03149 172 2S -0.00059 0.00034 0.08937 0.02850 -0.02712 173 2PX -0.00023 -0.00001 -0.09467 0.04566 0.12536 174 2PY 0.29520 -0.17697 -0.00045 0.00037 0.00030 175 2PZ 0.00058 0.00028 0.03836 -0.15601 -0.01722 176 3S 0.00050 -0.00357 -0.97434 0.81961 0.86703 177 3PX -0.00034 0.00282 -0.03299 -0.54410 0.39760 178 3PY -0.16805 0.13892 0.00014 0.00013 -0.00044 179 3PZ -0.00145 0.00293 0.15119 -0.47405 0.46196 180 4XX 0.00118 -0.00198 -0.04331 0.31223 -0.24907 181 4YY -0.00268 0.00205 0.15816 -0.06830 -0.06610 182 4ZZ 0.00143 -0.00025 -0.12909 -0.19967 0.34019 183 4XY -0.39492 0.32100 0.00057 -0.00055 -0.00050 184 4XZ -0.00081 -0.00027 -0.11009 0.11679 0.35819 185 4YZ 0.41411 -0.29875 -0.00019 0.00046 -0.00026 186 22 H 1S -0.00083 0.00274 0.16964 -0.50499 0.10619 187 2S -0.00031 0.00135 0.13290 -0.24571 0.04483 188 23 H 1S -0.00023 -0.00054 0.21928 0.19836 -0.60078 189 2S 0.00061 -0.00074 0.00902 0.03189 -0.13669 146 147 148 149 150 V V V V V Eigenvalues -- 2.08888 2.12024 2.14080 2.16027 2.23008 1 1 C 1S -0.00638 -0.00550 0.00636 0.00595 0.00037 2 2S -0.02849 -0.18421 -0.02695 -0.13077 -0.16825 3 2PX -0.11275 0.10365 0.02682 0.00507 -0.01185 4 2PY 0.01505 0.04342 -0.03249 -0.07850 -0.03852 5 2PZ 0.21715 -0.01093 -0.02864 -0.00470 -0.02015 6 3S -0.12943 0.68807 -0.21119 -0.00541 0.26028 7 3PX -0.16432 -0.41855 -0.44568 -0.05024 0.04410 8 3PY -0.18253 0.14749 -0.36148 0.25621 0.29816 9 3PZ -0.09410 -0.06851 -0.07628 -0.06357 0.18552 10 4XX 0.19767 0.22923 -0.08112 0.02929 0.14410 11 4YY -0.02398 -0.09788 0.17659 0.06552 -0.14420 12 4ZZ -0.20334 -0.06092 -0.12759 -0.07119 0.00826 13 4XY -0.04175 -0.27258 -0.16361 -0.11448 0.07033 14 4XZ -0.10165 0.19376 -0.08311 -0.06201 -0.02314 15 4YZ -0.09038 0.06912 -0.09266 -0.05950 0.00291 16 2 H 1S 0.01170 0.04536 -0.16831 0.02362 0.12667 17 2S -0.10604 -0.06143 -0.15099 0.09033 0.03841 18 3 C 1S -0.02415 0.00762 -0.00697 0.00309 -0.00496 19 2S -0.50663 0.37161 0.10840 0.03786 0.03627 20 2PX 0.05213 -0.14153 -0.00843 -0.00334 0.00801 21 2PY -0.16458 0.05225 0.06224 0.02735 0.07327 22 2PZ -0.06290 0.11542 0.02191 0.00751 -0.03318 23 3S 0.60818 -0.94670 0.35571 -0.09049 -0.28822 24 3PX -0.35923 0.37193 -0.04640 0.05218 -0.09257 25 3PY 0.22457 -0.32628 -0.19053 -0.08946 -0.22316 26 3PZ 0.36765 -0.32228 0.14828 0.00051 -0.13571 27 4XX -0.07858 0.04244 -0.05264 -0.01374 0.10019 28 4YY 0.24087 0.11431 -0.18192 -0.03659 0.03292 29 4ZZ -0.22850 -0.11466 0.25519 0.06690 -0.18424 30 4XY 0.17165 -0.08386 -0.04917 0.05195 -0.09604 31 4XZ -0.21363 0.18756 -0.15425 -0.01381 -0.06103 32 4YZ -0.07703 -0.07986 -0.00231 -0.06105 -0.18806 33 4 H 1S 0.09172 0.09742 -0.14098 0.02329 0.04671 34 2S 0.12134 -0.14728 0.03663 -0.01572 -0.05378 35 5 C 1S -0.02425 -0.00771 -0.00687 0.00307 0.00492 36 2S -0.50821 -0.37269 0.10836 0.03815 -0.03646 37 2PX 0.05229 0.14156 -0.00740 -0.00369 -0.00808 38 2PY 0.16453 0.05300 -0.06221 -0.02743 0.07292 39 2PZ -0.06284 -0.11554 0.02131 0.00774 0.03308 40 3S 0.61870 0.94985 0.34329 -0.08648 0.29015 41 3PX -0.36300 -0.37363 -0.04343 0.05053 0.09165 42 3PY -0.22880 -0.32739 0.19342 0.08854 -0.22266 43 3PZ 0.37128 0.32245 0.14296 0.00248 0.13550 44 4XX -0.07809 -0.04167 -0.05195 -0.01307 -0.09871 45 4YY 0.24044 -0.11378 -0.18248 -0.03660 -0.03326 46 4ZZ -0.22857 0.11312 0.25449 0.06645 0.18318 47 4XY -0.17237 -0.08353 0.04887 -0.05157 -0.09631 48 4XZ -0.21426 -0.18852 -0.15509 -0.01357 0.06025 49 4YZ 0.07737 -0.08087 0.00105 0.06111 -0.18914 50 6 H 1S 0.09206 -0.09777 -0.14156 0.02379 -0.04736 51 2S 0.12274 0.14774 0.03513 -0.01525 0.05397 52 7 C 1S -0.00627 0.00582 0.00612 0.00601 -0.00031 53 2S -0.02606 0.18735 -0.03048 -0.12958 0.16952 54 2PX -0.11339 -0.10423 0.02679 0.00502 0.01181 55 2PY -0.01581 0.04334 0.03331 0.07816 -0.03850 56 2PZ 0.21745 0.01081 -0.02868 -0.00437 0.02016 57 3S -0.13797 -0.69986 -0.19775 -0.01041 -0.26372 58 3PX -0.16396 0.42242 -0.44225 -0.05182 -0.04391 59 3PY 0.18716 0.14930 0.35243 -0.25265 0.29946 60 3PZ -0.09334 0.07024 -0.07436 -0.06471 -0.18435 61 4XX 0.19678 -0.22867 -0.08189 0.02983 -0.14339 62 4YY -0.02400 0.09675 0.17585 0.06561 0.14393 63 4ZZ -0.20279 0.06163 -0.12617 -0.07171 -0.00904 64 4XY 0.04161 -0.27356 0.16117 0.11541 0.06936 65 4XZ -0.10213 -0.19461 -0.08367 -0.06140 0.02286 66 4YZ 0.09048 0.06828 0.09337 0.05982 0.00251 67 8 H 1S 0.01134 -0.04401 -0.16756 0.02328 -0.12656 68 2S -0.10674 0.06202 -0.14894 0.08947 -0.03827 69 9 C 1S -0.00780 0.01016 -0.01550 -0.01203 -0.00442 70 2S 0.42860 0.25981 0.19584 -0.04802 -0.11202 71 2PX 0.01455 0.00900 0.02605 0.02387 0.03451 72 2PY -0.12045 -0.03380 -0.08273 -0.03272 0.02765 73 2PZ -0.09820 -0.05366 -0.09466 0.00032 0.00920 74 3S -0.16634 -0.44143 0.12136 0.24336 0.51225 75 3PX -0.06240 -0.09258 0.57151 0.00661 -0.04538 76 3PY 0.21715 0.15885 0.09875 0.14912 -0.11253 77 3PZ 0.33228 -0.00114 0.17821 0.01096 -0.03799 78 4XX 0.41134 -0.14063 -0.15344 0.01623 0.12079 79 4YY -0.21669 0.07292 -0.17023 -0.06504 -0.01454 80 4ZZ -0.24186 0.02975 0.24599 0.02909 -0.07151 81 4XY -0.00358 -0.13917 0.42548 0.10126 0.10191 82 4XZ -0.03531 0.05505 0.17214 0.01729 0.12131 83 4YZ 0.15262 -0.13894 0.07645 -0.04706 0.00679 84 10 H 1S -0.10240 0.12251 -0.36314 -0.08100 -0.12664 85 2S -0.02369 -0.01759 -0.17067 -0.01633 0.05161 86 11 H 1S -0.21130 0.04464 0.40600 0.05299 -0.05555 87 2S -0.06041 0.05260 -0.02620 -0.15314 -0.00797 88 12 C 1S -0.00789 -0.01014 -0.01565 -0.01189 0.00444 89 2S 0.42712 -0.26180 0.19424 -0.04691 0.11265 90 2PX 0.01441 -0.00894 0.02610 0.02383 -0.03445 91 2PY 0.12073 -0.03466 0.08252 0.03294 0.02768 92 2PZ -0.09755 0.05375 -0.09507 0.00064 -0.00953 93 3S -0.16523 0.44477 0.13260 0.23661 -0.51236 94 3PX -0.06122 0.09025 0.57336 0.00550 0.04654 95 3PY -0.21700 0.15950 -0.09633 -0.15111 -0.11264 96 3PZ 0.33253 -0.00141 0.17787 0.01178 0.03822 97 4XX 0.41129 0.13986 -0.15209 0.01586 -0.12139 98 4YY -0.21622 -0.07139 -0.17068 -0.06518 0.01475 99 4ZZ -0.24224 -0.03026 0.24533 0.02953 0.07178 100 4XY 0.00469 -0.13741 -0.42770 -0.10136 0.10120 101 4XZ -0.03405 -0.05615 0.17002 0.01711 -0.12090 102 4YZ -0.15225 -0.13861 -0.07824 0.04766 0.00641 103 13 H 1S -0.21099 -0.04574 0.40530 0.05360 0.05647 104 2S -0.06025 -0.05264 -0.02655 -0.15342 0.00831 105 14 H 1S -0.10293 -0.12069 -0.36436 -0.08022 0.12601 106 2S -0.02417 0.01813 -0.17115 -0.01622 -0.05208 107 15 C 1S 0.00266 0.00042 -0.00375 0.02936 0.00924 108 2S 0.03108 0.33165 -0.22685 0.49937 0.01120 109 2PX 0.07192 0.14961 -0.01827 -0.01347 0.02875 110 2PY -0.00536 0.00835 -0.11505 0.20740 -0.07052 111 2PZ -0.04576 0.02259 -0.03374 0.07251 -0.00179 112 3S -0.18727 -1.22882 0.07536 -0.52763 -0.67416 113 3PX -0.23759 -0.15506 -0.08382 0.35703 0.19355 114 3PY 0.15306 -0.13098 0.30850 -0.47229 -0.42220 115 3PZ 0.19972 -0.63363 0.20229 -0.40997 -0.26866 116 4XX 0.01347 -0.06074 -0.04957 -0.15234 0.09866 117 4YY -0.04337 0.01439 0.10285 -0.22302 -0.06353 118 4ZZ 0.02234 -0.09714 -0.03602 0.42250 -0.03357 119 4XY 0.05177 0.05811 0.05410 -0.03062 0.19483 120 4XZ -0.02503 -0.41706 -0.01258 0.16862 0.07766 121 4YZ -0.04534 0.00696 -0.01936 0.00808 0.34059 122 16 H 1S 0.09728 -0.04125 0.07778 -0.13451 -0.14429 123 2S 0.15423 -0.04387 0.09120 -0.18538 -0.08812 124 17 C 1S 0.00258 -0.00058 -0.00355 0.02927 -0.00937 125 2S 0.02866 -0.33186 -0.22553 0.49980 -0.01413 126 2PX 0.07153 -0.14997 -0.01886 -0.01349 -0.02874 127 2PY 0.00551 0.00706 0.11535 -0.20759 -0.06960 128 2PZ -0.04606 -0.02233 -0.03336 0.07215 0.00143 129 3S -0.17821 1.23485 0.06589 -0.52625 0.67792 130 3PX -0.23737 0.15779 -0.08117 0.35493 -0.19430 131 3PY -0.15550 -0.12724 -0.30386 0.47240 -0.42407 132 3PZ 0.20316 0.63354 0.19946 -0.41027 0.27068 133 4XX 0.01417 0.06149 -0.04974 -0.15260 -0.09909 134 4YY -0.04356 -0.01632 0.10269 -0.22293 0.06312 135 4ZZ 0.02230 0.09848 -0.03530 0.42229 0.03453 136 4XY -0.05153 0.05843 -0.05418 0.03106 0.19549 137 4XZ -0.02468 0.41864 -0.01101 0.16766 -0.07782 138 4YZ 0.04546 0.00714 0.01937 -0.00861 0.34186 139 18 H 1S 0.09729 0.04003 0.07753 -0.13505 0.14512 140 2S 0.15469 0.04217 0.09017 -0.18525 0.08855 141 19 O 1S 0.00834 0.00358 0.00128 0.01023 -0.00641 142 2S 0.02636 -0.40710 0.09674 -0.16466 -0.09661 143 2PX -0.02111 -0.12320 0.01850 0.10025 -0.04284 144 2PY 0.00417 -0.11699 0.03699 -0.13002 -0.01696 145 2PZ 0.04374 0.05890 0.05920 -0.07399 -0.06363 146 3S -0.25721 0.82566 -0.30557 0.11252 0.36334 147 3PX -0.03618 0.33786 -0.15669 0.05172 0.24549 148 3PY -0.11308 0.20532 -0.14604 0.10002 0.13425 149 3PZ -0.12578 -0.09306 -0.17340 -0.12467 0.17448 150 4XX 0.13465 -0.00449 0.09071 -0.21721 -0.11288 151 4YY 0.02488 -0.08758 0.06109 0.01708 -0.00474 152 4ZZ -0.12152 -0.04314 -0.11908 0.19856 0.08653 153 4XY -0.09787 -0.02138 -0.15993 -0.00462 0.29773 154 4XZ -0.04799 -0.06930 -0.03932 -0.05653 0.05800 155 4YZ -0.09302 0.01381 -0.10176 0.01161 0.24721 156 20 O 1S 0.00840 -0.00358 0.00118 0.01026 0.00639 157 2S 0.02755 0.40734 0.09731 -0.16475 0.09768 158 2PX -0.02080 0.12350 0.01904 0.10019 0.04275 159 2PY -0.00417 -0.11646 -0.03747 0.13045 -0.01745 160 2PZ 0.04376 -0.05975 0.05877 -0.07370 0.06384 161 3S -0.26136 -0.82617 -0.30371 0.11168 -0.36552 162 3PX -0.03788 -0.33807 -0.15682 0.05171 -0.24647 163 3PY 0.11372 0.20375 0.14591 -0.09976 0.13498 164 3PZ -0.12537 0.09512 -0.17308 -0.12459 -0.17419 165 4XX 0.13449 0.00251 0.09062 -0.21677 0.11122 166 4YY 0.02532 0.08767 0.06097 0.01708 0.00462 167 4ZZ -0.12128 0.04507 -0.11889 0.19807 -0.08460 168 4XY 0.09765 -0.02278 0.15985 0.00497 0.29754 169 4XZ -0.04811 0.06932 -0.03816 -0.05673 -0.05802 170 4YZ 0.09342 0.01337 0.10234 -0.01196 0.24752 171 21 C 1S 0.00182 -0.00002 0.00348 -0.02379 0.00004 172 2S -0.06297 0.00021 -0.11995 -0.54490 0.00063 173 2PX -0.01963 0.00027 -0.08077 -0.08789 0.00005 174 2PY 0.00010 0.09737 0.00006 -0.00011 0.02682 175 2PZ 0.00600 0.00006 0.03129 0.05950 0.00000 176 3S 0.19832 -0.00051 0.19632 0.89057 -0.00105 177 3PX 0.36915 -0.00226 0.56951 0.79258 -0.00120 178 3PY -0.00022 -0.07224 -0.00051 0.00068 0.03451 179 3PZ 0.29257 -0.00232 0.40610 -0.46957 0.00048 180 4XX -0.07065 -0.00005 -0.01325 -0.36955 -0.00028 181 4YY 0.05368 0.00013 -0.04602 0.32835 -0.00088 182 4ZZ 0.04960 -0.00020 0.10242 0.04523 0.00117 183 4XY 0.00003 -0.05179 -0.00032 0.00090 0.49473 184 4XZ 0.07217 -0.00074 0.17832 -0.59145 0.00153 185 4YZ 0.00003 0.11394 0.00011 0.00027 0.43059 186 22 H 1S 0.11019 -0.00040 0.08847 0.37319 -0.00034 187 2S 0.14949 -0.00120 0.26596 0.05099 -0.00024 188 23 H 1S -0.18751 0.00129 -0.31841 0.05212 -0.00035 189 2S -0.11885 0.00072 -0.06777 0.04157 0.00024 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26205 2.27983 2.29195 2.30956 1 1 C 1S -0.00504 0.02999 -0.00760 -0.00586 0.01788 2 2S -0.14779 0.63508 -0.02558 -0.14983 0.21194 3 2PX 0.02803 -0.06940 -0.00119 0.06007 -0.14351 4 2PY -0.01257 0.11337 0.00602 0.00801 -0.01583 5 2PZ -0.04327 0.04639 -0.00810 -0.01427 0.15001 6 3S 0.39061 -2.75844 0.11219 1.10710 -1.61634 7 3PX -0.20033 -0.53242 -0.00107 -0.18829 0.04967 8 3PY -0.18346 -1.82522 0.18107 0.51070 -0.87587 9 3PZ -0.24706 -0.42852 -0.01379 -0.01424 -0.25213 10 4XX -0.19007 -0.05978 -0.12040 -0.13421 0.09061 11 4YY 0.33724 0.20648 -0.07796 0.03744 -0.09351 12 4ZZ -0.12369 -0.24319 0.19402 0.14699 -0.08291 13 4XY -0.28046 -0.28950 0.03707 -0.05659 0.13931 14 4XZ -0.11062 -0.20632 0.09793 0.05073 -0.19898 15 4YZ -0.12214 -0.14754 -0.08129 -0.22566 -0.12552 16 2 H 1S -0.24749 -0.21239 0.06823 0.00703 0.01408 17 2S -0.10706 -0.41155 0.06039 0.08761 -0.18257 18 3 C 1S 0.00495 -0.02242 0.00020 0.01257 -0.02798 19 2S 0.29087 -0.29461 -0.03908 0.16923 -0.54704 20 2PX -0.06259 -0.01974 0.01851 0.03357 0.11345 21 2PY 0.06938 0.02245 -0.03703 -0.04732 0.04883 22 2PZ 0.07894 -0.02966 0.01385 0.04489 -0.11578 23 3S -0.27306 3.02302 -0.04835 -1.29080 2.45833 24 3PX 0.21745 -0.88242 0.06672 0.80823 -1.07331 25 3PY -0.01925 1.01011 0.01342 -0.62311 0.85843 26 3PZ -0.01446 1.37734 -0.03713 -0.44019 0.92292 27 4XX -0.14375 -0.20711 -0.13182 -0.32990 0.15534 28 4YY -0.15561 0.07048 0.10539 -0.06265 -0.03229 29 4ZZ 0.29245 0.19909 0.00565 0.34065 -0.12775 30 4XY -0.02823 -0.01947 -0.03525 0.34172 -0.02229 31 4XZ 0.10385 -0.02098 0.02608 0.00251 -0.18143 32 4YZ -0.08309 -0.05973 -0.05948 0.30532 -0.23161 33 4 H 1S 0.03717 0.08584 0.01677 -0.16526 0.11641 34 2S -0.04712 0.44801 -0.03157 -0.25797 0.33591 35 5 C 1S 0.00571 0.02232 0.00034 -0.01264 0.02748 36 2S 0.30136 0.28378 -0.03715 -0.17149 0.53935 37 2PX -0.06214 0.02217 0.01872 -0.03292 -0.11202 38 2PY -0.06882 0.02531 0.03812 -0.04581 0.05371 39 2PZ 0.07996 0.02704 0.01473 -0.04467 0.11717 40 3S -0.37384 -3.01510 -0.05932 1.29182 -2.44301 41 3PX 0.24791 0.87562 0.07823 -0.80729 1.06910 42 3PY 0.05201 1.01054 -0.00680 -0.62535 0.85779 43 3PZ -0.06007 -1.37453 -0.04067 0.43930 -0.91382 44 4XX -0.13766 0.20923 -0.13899 0.32574 -0.16943 45 4YY -0.15738 -0.06345 0.10435 0.06568 0.04118 46 4ZZ 0.28629 -0.20806 0.01337 -0.34010 0.13118 47 4XY 0.02748 -0.02017 0.03035 0.34265 -0.02124 48 4XZ 0.10473 0.01915 0.02580 -0.00199 0.17803 49 4YZ 0.07977 -0.06111 0.05493 0.30767 -0.22645 50 6 H 1S 0.03421 -0.08590 0.01357 0.16579 -0.11652 51 2S -0.06165 -0.44653 -0.03453 0.25758 -0.33447 52 7 C 1S -0.00617 -0.02998 -0.00756 0.00578 -0.01765 53 2S -0.16925 -0.63130 -0.02557 0.15016 -0.20899 54 2PX 0.03063 0.06815 -0.00040 -0.06051 0.14187 55 2PY 0.01628 0.11273 -0.00647 0.00773 -0.01649 56 2PZ -0.04497 -0.04459 -0.00878 0.01440 -0.14914 57 3S 0.48576 2.74992 0.12097 -1.10760 1.60279 58 3PX -0.18380 0.54190 -0.00588 0.18787 -0.05247 59 3PY 0.12369 -1.83262 -0.18291 0.50752 -0.86822 60 3PZ -0.23176 0.43274 -0.01652 0.01520 0.24970 61 4XX -0.18947 0.06502 -0.12372 0.13097 -0.10286 62 4YY 0.33186 -0.21805 -0.07598 -0.03838 0.09346 63 4ZZ -0.11567 0.24894 0.19597 -0.14289 0.09482 64 4XY 0.27099 -0.29922 -0.03505 -0.05718 0.13873 65 4XZ -0.10410 0.21022 0.09796 -0.04793 0.20559 66 4YZ 0.11722 -0.15122 0.08507 -0.22330 -0.11569 67 8 H 1S -0.24197 0.22101 0.06699 -0.00527 -0.01271 68 2S -0.09341 0.41474 0.06059 -0.08637 0.17926 69 9 C 1S -0.00830 0.04537 -0.00309 -0.00479 -0.00369 70 2S -0.01323 0.23803 -0.13487 -0.32508 -0.38706 71 2PX -0.04439 -0.02940 0.02784 0.03960 0.02874 72 2PY 0.02316 0.00181 -0.01323 0.05388 0.02395 73 2PZ -0.00726 0.12447 0.05819 0.04445 0.13801 74 3S 0.03954 -2.46691 0.15093 0.95118 0.09702 75 3PX -0.00539 -0.42938 -0.12463 -0.40452 -0.46945 76 3PY -0.02307 0.59309 0.02564 -0.00615 -0.10944 77 3PZ -0.12895 0.41614 -0.03756 -0.34840 0.10626 78 4XX 0.18113 -0.12682 -0.03337 0.22095 0.14685 79 4YY -0.02632 -0.09652 -0.04609 -0.13129 -0.10012 80 4ZZ -0.18136 0.22962 0.11053 -0.00414 0.02841 81 4XY -0.13224 -0.41752 -0.00510 0.10441 -0.03766 82 4XZ -0.45438 0.19271 0.21465 -0.01627 0.21941 83 4YZ -0.10290 -0.11066 0.04505 -0.03094 -0.12282 84 10 H 1S 0.27092 0.18696 -0.11778 -0.03286 -0.08374 85 2S -0.02554 0.06668 0.08173 0.08629 0.11795 86 11 H 1S -0.26051 0.07042 0.06146 -0.20387 -0.07286 87 2S 0.12389 -0.01982 -0.16924 -0.13706 -0.21235 88 12 C 1S -0.00974 -0.04499 -0.00303 0.00475 0.00347 89 2S -0.01918 -0.23784 -0.13910 0.32370 0.39250 90 2PX -0.04372 0.03048 0.02847 -0.03904 -0.02843 91 2PY -0.02289 0.00310 0.01224 0.05439 0.02632 92 2PZ -0.01188 -0.12336 0.05930 -0.04350 -0.13838 93 3S 0.11697 2.46278 0.15755 -0.94970 -0.09809 94 3PX 0.01160 0.42763 -0.13363 0.40141 0.46679 95 3PY 0.04053 0.59307 -0.02735 -0.00723 -0.10949 96 3PZ -0.14318 -0.41016 -0.04165 0.34824 -0.10832 97 4XX 0.18467 0.12323 -0.03055 -0.22191 -0.14608 98 4YY -0.02316 0.09694 -0.04842 0.13031 0.09433 99 4ZZ -0.18859 -0.22526 0.11135 0.00651 -0.02501 100 4XY 0.12011 -0.41926 0.00450 0.10476 -0.03313 101 4XZ -0.46033 -0.17818 0.21510 0.02106 -0.21655 102 4YZ 0.09939 -0.11391 -0.04562 -0.03176 -0.12535 103 13 H 1S -0.26197 -0.06377 0.05828 0.20487 0.07023 104 2S 0.12557 0.01604 -0.17205 0.13422 0.21337 105 14 H 1S 0.26517 -0.19478 -0.11794 0.03047 0.08293 106 2S -0.02840 -0.06527 0.08376 -0.08439 -0.11483 107 15 C 1S 0.00897 -0.00594 0.01455 -0.00432 -0.03601 108 2S 0.06014 -0.06682 0.41606 -0.32953 -0.81907 109 2PX -0.03240 -0.01985 -0.01655 0.05073 0.11573 110 2PY -0.01102 -0.02148 0.15935 0.00360 0.05799 111 2PZ 0.00234 0.04086 0.03650 -0.10847 -0.22804 112 3S -0.23250 0.58308 -0.43920 0.88235 3.33894 113 3PX 0.02467 0.12272 0.08475 -0.32813 -0.96976 114 3PY 0.11215 0.24079 -0.24084 0.65364 1.54053 115 3PZ -0.16177 0.03565 -0.40664 0.37613 1.84324 116 4XX 0.08693 0.02470 0.32848 0.17432 0.14754 117 4YY 0.02568 -0.01539 -0.20886 -0.02111 0.02592 118 4ZZ -0.10191 0.01476 -0.14871 -0.10949 -0.07674 119 4XY 0.03530 0.03279 0.04769 0.02020 -0.00082 120 4XZ -0.00252 0.14639 0.16348 -0.20467 -0.20585 121 4YZ 0.09135 0.07090 0.14695 0.02245 -0.06628 122 16 H 1S -0.00915 -0.01743 -0.00197 0.06363 0.22693 123 2S -0.01697 -0.05187 -0.15562 0.23059 0.60977 124 17 C 1S 0.00936 0.00577 0.01439 0.00441 0.03579 125 2S 0.06538 0.06709 0.40932 0.33548 0.81649 126 2PX -0.03261 0.02080 -0.01592 -0.05092 -0.11573 127 2PY 0.01038 -0.02250 -0.15958 0.00128 0.05884 128 2PZ 0.00204 -0.04082 0.03434 0.10902 0.22834 129 3S -0.26357 -0.57789 -0.41634 -0.88711 -3.33365 130 3PX 0.02449 -0.12369 0.07736 0.32862 0.96638 131 3PY -0.09852 0.24588 0.22732 0.65751 1.54252 132 3PZ -0.17032 -0.03180 -0.39789 -0.37953 -1.83545 133 4XX 0.08541 -0.02671 0.33151 -0.16964 -0.15165 134 4YY 0.02666 0.01368 -0.20840 0.01767 -0.02456 135 4ZZ -0.10205 -0.01148 -0.15121 0.10749 0.07943 136 4XY -0.03360 0.03421 -0.04775 0.01899 -0.00146 137 4XZ -0.00555 -0.14635 0.16040 0.20668 0.20290 138 4YZ -0.08808 0.07346 -0.14628 0.02008 -0.06511 139 18 H 1S -0.00894 0.01756 -0.00041 -0.06395 -0.22749 140 2S -0.01811 0.05199 -0.15149 -0.23203 -0.60759 141 19 O 1S -0.00067 -0.00377 0.01167 0.01394 0.02470 142 2S -0.02006 0.11123 -0.11371 -0.16196 0.08674 143 2PX 0.01428 0.03696 -0.00142 -0.11131 -0.07219 144 2PY -0.00711 0.03279 -0.05132 -0.05875 -0.06691 145 2PZ 0.00941 -0.02435 -0.05076 0.03566 0.09278 146 3S 0.10820 -0.15003 0.08050 -0.08766 -1.26969 147 3PX 0.04615 -0.03958 0.20836 0.15834 -0.32753 148 3PY -0.01826 -0.08037 -0.01976 -0.01656 -0.15911 149 3PZ -0.04830 0.03994 0.01833 0.01387 -0.02105 150 4XX 0.15495 -0.06005 0.44428 0.03307 0.07341 151 4YY -0.03033 0.00549 -0.04886 -0.04287 0.07274 152 4ZZ -0.13656 0.06674 -0.35860 0.02320 -0.06089 153 4XY -0.02835 0.06750 -0.10071 0.10990 -0.03821 154 4XZ 0.03520 0.02308 0.14058 -0.11738 -0.32546 155 4YZ 0.01425 0.07511 -0.01388 0.13109 -0.08614 156 20 O 1S -0.00068 0.00387 0.01193 -0.01376 -0.02465 157 2S -0.02312 -0.11103 -0.11530 0.16080 -0.08369 158 2PX 0.01380 -0.03764 -0.00314 0.11115 0.07181 159 2PY 0.00764 0.03272 0.05232 -0.05803 -0.06737 160 2PZ 0.00984 0.02383 -0.04993 -0.03643 -0.09251 161 3S 0.11696 0.14653 0.07529 0.08758 1.26269 162 3PX 0.04772 0.03944 0.20956 -0.15542 0.32563 163 3PY 0.01561 -0.08072 0.02087 -0.01585 -0.15729 164 3PZ -0.04983 -0.03806 0.01853 -0.01323 0.02248 165 4XX 0.15703 0.05615 0.44539 -0.02684 -0.07847 166 4YY -0.03062 -0.00501 -0.04912 0.04182 -0.07279 167 4ZZ -0.13910 -0.06262 -0.35905 -0.02775 0.06671 168 4XY 0.03115 0.06627 0.09938 0.11098 -0.04169 169 4XZ 0.03602 -0.02350 0.13911 0.11983 0.32472 170 4YZ -0.01111 0.07511 0.01328 0.13138 -0.08792 171 21 C 1S -0.00308 0.00000 -0.01734 -0.00011 0.00004 172 2S -0.02645 0.00009 -0.22522 -0.00102 0.00286 173 2PX 0.01469 -0.00009 0.00265 0.00018 0.00076 174 2PY -0.00036 -0.02986 0.00002 0.02850 -0.00317 175 2PZ -0.00715 0.00002 -0.00542 -0.00012 -0.00049 176 3S 0.14844 -0.00091 0.59250 0.00357 -0.00327 177 3PX 0.09949 -0.00139 0.38700 0.00193 -0.00369 178 3PY 0.00002 0.00448 0.00080 -0.05826 -0.00054 179 3PZ 0.03658 -0.00141 -0.23904 -0.00159 0.00016 180 4XX 0.05864 -0.00122 0.22123 0.00160 -0.00241 181 4YY 0.02491 -0.00026 0.17275 0.00095 -0.00102 182 4ZZ -0.08626 0.00146 -0.39393 -0.00263 0.00297 183 4XY 0.00250 0.12300 0.00016 0.12016 -0.17998 184 4XZ -0.07847 0.00056 -0.33342 -0.00192 0.00105 185 4YZ 0.00255 0.11204 -0.00032 0.20561 -0.11473 186 22 H 1S 0.00461 0.00011 -0.01879 -0.00034 0.00049 187 2S 0.02722 -0.00074 0.07718 0.00033 -0.00156 188 23 H 1S 0.04270 -0.00037 0.21642 0.00167 -0.00127 189 2S -0.10814 0.00160 -0.07883 -0.00053 0.00117 156 157 158 159 160 V V V V V Eigenvalues -- 2.31854 2.37118 2.40151 2.43437 2.44809 1 1 C 1S -0.01242 -0.00966 0.01360 -0.05894 -0.02195 2 2S -0.11269 -0.49700 -0.39245 -1.20190 -0.06717 3 2PX 0.04177 0.06023 0.08608 -0.02539 -0.00560 4 2PY -0.03146 -0.14155 -0.11402 -0.20350 0.03085 5 2PZ -0.01657 -0.05739 -0.20419 0.13271 0.04825 6 3S 0.54166 0.59061 0.54668 3.62643 0.73991 7 3PX 0.12436 -0.09684 -0.11125 -0.01190 0.10995 8 3PY 0.31669 0.76665 0.42769 1.90845 0.18743 9 3PZ 0.09981 -0.00655 -0.15161 0.47523 0.09021 10 4XX 0.39165 0.17619 -0.12093 0.05606 -0.25190 11 4YY -0.00194 -0.20270 0.13850 0.05287 0.21174 12 4ZZ -0.38277 0.08469 0.13050 0.08263 0.04062 13 4XY 0.03573 0.06825 -0.11138 -0.02607 0.08550 14 4XZ -0.19431 0.00727 0.09003 -0.23744 -0.05627 15 4YZ 0.31615 -0.21565 -0.07828 0.13811 0.09921 16 2 H 1S -0.03029 0.21480 -0.02640 0.02059 -0.15604 17 2S 0.11179 0.17065 0.11847 0.36838 0.05309 18 3 C 1S 0.01619 0.00551 0.00273 -0.03309 0.01167 19 2S 0.19552 0.04827 0.02146 -0.20662 0.07517 20 2PX -0.04123 0.07411 -0.03254 0.12556 -0.00466 21 2PY 0.14768 0.04622 -0.07473 0.16129 -0.02643 22 2PZ -0.05430 -0.04202 0.00964 -0.08289 0.00927 23 3S -0.44799 -1.15109 -0.53155 -0.59715 -0.43156 24 3PX 0.09366 0.29226 0.32131 0.39298 0.15478 25 3PY -0.07267 -0.70912 -0.16977 0.16393 0.10192 26 3PZ -0.23094 -0.28049 -0.36005 -0.42229 -0.10850 27 4XX 0.44100 -0.02154 -0.22431 -0.14337 -0.07972 28 4YY -0.22228 -0.03298 -0.03908 0.25155 0.08762 29 4ZZ -0.16276 -0.01986 0.27761 -0.13100 -0.01182 30 4XY 0.06846 0.17688 -0.44874 0.15878 0.02454 31 4XZ 0.12003 -0.08387 -0.11389 -0.29613 0.15010 32 4YZ 0.14995 -0.04220 -0.19960 0.13079 -0.07063 33 4 H 1S 0.02489 -0.00551 -0.18384 -0.13796 0.11090 34 2S -0.04405 -0.19291 -0.09151 -0.01961 -0.03305 35 5 C 1S 0.01695 -0.00566 -0.00285 0.03259 0.01151 36 2S 0.21183 -0.04849 -0.02256 0.20586 0.07297 37 2PX -0.04415 -0.07427 0.03327 -0.12640 -0.00344 38 2PY -0.14690 0.04605 -0.07459 0.16040 0.02541 39 2PZ -0.05132 0.04212 -0.00976 0.08353 0.00849 40 3S -0.52548 1.15524 0.53506 0.61438 -0.43661 41 3PX 0.12467 -0.29356 -0.32188 -0.39967 0.15734 42 3PY 0.09998 -0.70971 -0.17016 0.16755 -0.10271 43 3PZ -0.25944 0.28109 0.36063 0.42708 -0.11123 44 4XX 0.43856 0.02139 0.22308 0.14541 -0.08025 45 4YY -0.22021 0.03251 0.03923 -0.25519 0.08875 46 4ZZ -0.16253 0.02015 -0.27698 0.13236 -0.01238 47 4XY -0.06956 0.17712 -0.44736 0.15934 -0.02653 48 4XZ 0.12562 0.08266 0.11217 0.28873 0.14831 49 4YZ -0.15717 -0.04253 -0.19913 0.12848 0.06992 50 6 H 1S 0.02230 0.00458 0.18255 0.13344 0.11029 51 2S -0.05403 0.19368 0.09168 0.02110 -0.03307 52 7 C 1S -0.01322 0.00994 -0.01333 0.06032 -0.02243 53 2S -0.12114 0.49913 0.39411 1.20565 -0.07573 54 2PX 0.04552 -0.06003 -0.08580 0.02548 -0.00559 55 2PY 0.03132 -0.14163 -0.11446 -0.20128 -0.02952 56 2PZ -0.01982 0.05706 0.20328 -0.13453 0.04939 57 3S 0.59937 -0.60117 -0.55556 -3.66528 0.76673 58 3PX 0.12516 0.09657 0.11143 0.00790 0.11057 59 3PY -0.34947 0.77145 0.42898 1.91814 -0.20145 60 3PZ 0.11116 0.00656 0.15108 -0.47521 0.09315 61 4XX 0.39004 -0.17605 0.12055 -0.04750 -0.25125 62 4YY 0.00033 0.20315 -0.14110 -0.06098 0.21218 63 4ZZ -0.38104 -0.08546 -0.12747 -0.08220 0.04072 64 4XY -0.03188 0.06833 -0.11077 -0.02181 -0.08635 65 4XZ -0.18811 -0.00689 -0.08861 0.24064 -0.05845 66 4YZ -0.32167 -0.21447 -0.07551 0.14279 -0.09972 67 8 H 1S -0.02953 -0.21452 0.02881 -0.01344 -0.15594 68 2S 0.11848 -0.17160 -0.11891 -0.37051 0.05588 69 9 C 1S 0.00922 0.03628 0.01014 -0.08754 0.01664 70 2S -0.14797 0.30677 0.04517 -0.54458 0.09536 71 2PX -0.00398 -0.07035 0.01130 -0.00208 -0.01846 72 2PY 0.05671 0.08816 0.06827 -0.06108 -0.01339 73 2PZ 0.02515 -0.08798 -0.01364 -0.13823 0.05396 74 3S -0.08803 -0.74366 -0.00183 4.02160 -0.51892 75 3PX 0.05810 0.12588 -0.19990 0.77252 -0.06166 76 3PY -0.01913 0.46686 -0.08484 -0.99508 -0.07309 77 3PZ 0.13638 0.51161 0.11924 -1.14235 0.19161 78 4XX 0.00575 0.41655 0.31040 -0.37494 0.09130 79 4YY 0.18132 -0.17460 -0.12210 0.21668 0.05165 80 4ZZ -0.13444 -0.23368 -0.15654 0.15204 -0.13938 81 4XY 0.13832 -0.32167 -0.11074 -0.11761 -0.03238 82 4XZ -0.02422 -0.05916 0.08367 0.01287 0.14624 83 4YZ -0.06334 -0.28815 0.41436 0.14769 0.03394 84 10 H 1S -0.00969 0.12733 -0.10376 -0.23009 -0.01552 85 2S -0.08439 -0.28069 0.06038 -0.08739 0.02008 86 11 H 1S 0.09629 -0.23934 -0.21569 -0.06012 -0.02791 87 2S -0.04530 0.08103 0.02159 0.21021 0.13007 88 12 C 1S 0.00895 -0.03641 -0.01028 0.08698 0.01599 89 2S -0.13683 -0.30701 -0.04591 0.54078 0.09027 90 2PX -0.00489 0.07049 -0.01114 0.00328 -0.01847 91 2PY -0.05514 0.08792 0.06834 -0.06239 0.01360 92 2PZ 0.02008 0.08763 0.01360 0.13677 0.05318 93 3S -0.07755 0.74825 0.00587 -4.00526 -0.48765 94 3PX 0.07717 -0.12510 0.19930 -0.77280 -0.05745 95 3PY 0.01966 0.46725 -0.08507 -0.99861 0.08036 96 3PZ 0.12906 -0.51341 -0.12243 1.12775 0.18243 97 4XX -0.00176 -0.41730 -0.31128 0.37141 0.08870 98 4YY 0.18621 0.17466 0.11965 -0.21894 0.05296 99 4ZZ -0.13479 0.23416 0.15987 -0.14618 -0.13785 100 4XY -0.14114 -0.32229 -0.10995 -0.11644 0.03318 101 4XZ -0.03286 0.05698 -0.08529 -0.02006 0.14670 102 4YZ 0.06052 -0.28824 0.41425 0.15031 -0.03432 103 13 H 1S 0.09986 0.23942 0.21500 0.05814 -0.02884 104 2S -0.03777 -0.08092 -0.02154 -0.20831 0.13133 105 14 H 1S -0.00704 -0.12718 0.10429 0.23359 -0.01710 106 2S -0.08859 0.28070 -0.05956 0.08903 0.01974 107 15 C 1S 0.00565 0.02956 0.01470 0.03463 0.00267 108 2S 0.09676 0.67325 0.06301 0.35821 -0.06235 109 2PX 0.00356 -0.02410 0.06264 -0.00270 0.01800 110 2PY 0.04791 -0.04989 -0.03666 -0.07561 0.00728 111 2PZ -0.00813 0.14782 -0.03046 0.01465 -0.01501 112 3S -0.13090 -2.73104 -0.64356 -1.86843 -0.01875 113 3PX 0.05965 0.45906 -0.12481 -0.26719 0.16778 114 3PY -0.03906 -1.25476 -0.13902 -0.59244 -0.04484 115 3PZ -0.11815 -1.20208 -0.05266 -0.40899 0.02787 116 4XX 0.09912 -0.22699 -0.02302 0.08568 -0.28055 117 4YY -0.05308 -0.02303 -0.04635 -0.08002 0.03303 118 4ZZ -0.04946 0.14142 0.06391 -0.03006 0.27002 119 4XY 0.01188 0.07920 0.09011 0.17149 -0.04697 120 4XZ 0.06682 0.02462 -0.06029 -0.10260 -0.01917 121 4YZ 0.05462 0.06392 0.06168 0.15504 0.00533 122 16 H 1S -0.00762 -0.15630 0.01287 0.00642 -0.11108 123 2S -0.02557 -0.40394 0.02540 -0.00633 0.03334 124 17 C 1S 0.00677 -0.02964 -0.01480 -0.03487 0.00280 125 2S 0.12435 -0.67531 -0.06288 -0.35651 -0.06148 126 2PX -0.00054 0.02437 -0.06266 0.00394 0.01795 127 2PY -0.04604 -0.04940 -0.03679 -0.07589 -0.00715 128 2PZ -0.00040 -0.14806 0.03067 -0.01416 -0.01551 129 3S -0.24182 2.73407 0.64536 1.87027 -0.02279 130 3PX 0.09198 -0.45807 0.12478 0.26906 0.16321 131 3PY 0.09278 -1.25721 -0.13871 -0.59234 0.04359 132 3PZ -0.17941 1.20081 0.05250 0.40819 0.02963 133 4XX 0.09332 0.22713 0.02354 -0.08900 -0.28022 134 4YY -0.05347 0.02321 0.04570 0.07862 0.03307 135 4ZZ -0.04681 -0.14154 -0.06412 0.03329 0.26969 136 4XY -0.01217 0.07986 0.09014 0.17213 0.04710 137 4XZ 0.07335 -0.02373 0.06042 0.10263 -0.02027 138 4YZ -0.05663 0.06501 0.06192 0.15463 -0.00595 139 18 H 1S -0.01573 0.15708 -0.01271 -0.00756 -0.11043 140 2S -0.04632 0.40313 -0.02584 0.00590 0.03552 141 19 O 1S -0.00028 -0.01633 -0.00066 0.01010 -0.01361 142 2S -0.08916 -0.07080 -0.09512 -0.11000 -0.05360 143 2PX 0.00482 0.05288 -0.02077 -0.05414 0.04976 144 2PY -0.02330 0.02587 -0.02708 -0.03257 -0.00408 145 2PZ -0.01081 -0.02559 0.02204 -0.01950 0.03767 146 3S 0.15847 0.84553 0.19536 0.22215 0.34022 147 3PX 0.06069 0.13173 0.06453 0.21171 -0.13834 148 3PY 0.04290 0.16241 0.07913 0.05661 0.15585 149 3PZ -0.04409 -0.05427 -0.06377 0.05381 -0.23230 150 4XX 0.15136 -0.03352 0.03761 0.21956 -0.18525 151 4YY 0.01221 -0.01440 0.00461 -0.03548 0.04330 152 4ZZ -0.17966 -0.02759 -0.06716 -0.15215 0.07263 153 4XY -0.08775 -0.09253 -0.03309 -0.02913 -0.24401 154 4XZ 0.01968 0.17175 -0.04452 0.16012 -0.10073 155 4YZ -0.04878 -0.10983 -0.07859 -0.03617 -0.35424 156 20 O 1S -0.00106 0.01625 0.00070 -0.01025 -0.01350 157 2S -0.09172 0.07073 0.09572 0.11073 -0.05408 158 2PX 0.00728 -0.05271 0.02074 0.05480 0.04927 159 2PY 0.02122 0.02574 -0.02714 -0.03297 0.00420 160 2PZ -0.01399 0.02578 -0.02203 0.02032 0.03758 161 3S 0.19950 -0.84422 -0.19691 -0.22019 0.33880 162 3PX 0.07083 -0.13252 -0.06456 -0.21324 -0.13726 163 3PY -0.04838 0.16149 0.07965 0.05637 -0.15500 164 3PZ -0.04294 0.05420 0.06408 -0.05755 -0.23204 165 4XX 0.14848 0.03282 -0.03720 -0.22070 -0.18436 166 4YY 0.01008 0.01481 -0.00470 0.03507 0.04191 167 4ZZ -0.17728 0.02751 0.06699 0.15291 0.07365 168 4XY 0.08662 -0.09206 -0.03302 -0.02432 0.24422 169 4XZ 0.03128 -0.17257 0.04483 -0.16115 -0.10028 170 4YZ 0.04684 -0.10937 -0.07836 -0.02905 0.35386 171 21 C 1S -0.00228 0.00003 -0.00003 -0.00006 0.00406 172 2S -0.17396 0.00029 0.00070 0.00222 -0.01202 173 2PX -0.05149 0.00003 0.00036 0.00086 -0.03026 174 2PY -0.00004 0.00364 0.01965 -0.01622 -0.00002 175 2PZ 0.02226 0.00016 -0.00016 -0.00060 -0.00129 176 3S 0.19898 -0.00123 0.00011 -0.00085 -0.14598 177 3PX 0.24661 -0.00082 -0.00074 -0.00240 -0.04781 178 3PY -0.00004 0.03434 -0.01721 -0.10851 0.00017 179 3PZ 0.02413 -0.00011 -0.00048 0.00044 0.23869 180 4XX 0.14736 0.00036 0.00050 0.00708 0.64471 181 4YY 0.08162 -0.00006 0.00007 0.00004 0.01957 182 4ZZ -0.19868 -0.00034 -0.00080 -0.00777 -0.64577 183 4XY -0.00274 -0.06850 -0.09069 -0.15309 0.00021 184 4XZ -0.06368 0.00024 -0.00028 0.00009 0.10485 185 4YZ -0.00147 -0.12411 -0.08202 -0.03673 0.00053 186 22 H 1S -0.02671 -0.00027 -0.00037 -0.00412 -0.34729 187 2S 0.11115 -0.00016 -0.00033 0.00060 0.17203 188 23 H 1S 0.07222 0.00014 0.00048 0.00429 0.33267 189 2S -0.08976 0.00041 0.00006 -0.00208 -0.28880 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52229 2.54540 2.59889 1 1 C 1S -0.05742 -0.01407 0.02279 0.01264 -0.00754 2 2S -0.16850 -0.27753 0.29491 0.67705 -0.01950 3 2PX 0.01036 0.03334 0.00365 0.00803 0.03752 4 2PY 0.07639 -0.03917 0.06396 0.15924 0.00625 5 2PZ 0.07348 -0.04813 -0.08602 0.03355 -0.02239 6 3S 1.73284 0.51990 -0.92441 -1.33417 0.15709 7 3PX 0.09595 -0.08480 0.32171 -0.36593 0.06662 8 3PY 0.45331 0.12827 -0.48661 -0.98542 0.15552 9 3PZ 0.17577 -0.24163 -0.25019 0.14708 -0.07587 10 4XX -0.37469 0.05318 0.01637 -0.11668 0.03184 11 4YY 0.36648 -0.02813 -0.03776 0.00295 -0.18626 12 4ZZ -0.02108 0.01917 0.00754 -0.07050 0.15682 13 4XY 0.17637 0.01722 -0.07002 0.04194 -0.02790 14 4XZ -0.17705 0.02673 0.10197 0.03936 -0.09909 15 4YZ 0.21549 -0.08839 -0.12829 0.10879 -0.05491 16 2 H 1S -0.31995 -0.03175 0.05166 -0.09823 0.11006 17 2S 0.12810 0.03060 -0.11456 -0.25502 0.02771 18 3 C 1S 0.02215 0.00316 0.00731 0.00397 0.00833 19 2S 0.09367 -0.06945 0.30663 0.10867 0.07369 20 2PX 0.01479 0.02460 -0.06979 -0.07489 0.03990 21 2PY -0.00740 0.00234 -0.00305 -0.03056 0.07340 22 2PZ -0.00669 -0.00913 0.05354 0.03726 -0.03023 23 3S -0.80713 -0.16828 -0.41281 0.71862 -0.27151 24 3PX 0.30205 0.11903 0.28553 -0.31713 0.12999 25 3PY 0.16814 0.05163 -0.02248 -0.10414 -0.01977 26 3PZ -0.26519 -0.17673 -0.13664 0.37582 -0.06818 27 4XX -0.06856 0.00671 -0.09917 0.04647 -0.02752 28 4YY 0.12974 -0.01295 0.00144 -0.04097 -0.06636 29 4ZZ -0.05807 0.02220 0.01891 -0.00878 0.08447 30 4XY 0.02876 -0.08769 0.08450 -0.05399 -0.08130 31 4XZ 0.31541 0.02685 0.11453 0.08571 0.00830 32 4YZ -0.07741 -0.10161 0.01037 0.01114 0.03877 33 4 H 1S 0.18791 0.00527 0.05255 0.03149 -0.03663 34 2S -0.08766 -0.06932 -0.08889 0.07044 -0.00682 35 5 C 1S 0.02313 -0.00316 -0.00734 -0.00399 0.00808 36 2S 0.09866 0.06939 -0.30712 -0.10962 0.07300 37 2PX 0.01210 -0.02441 0.06981 0.07506 0.03977 38 2PY 0.01151 0.00226 -0.00267 -0.03036 -0.07377 39 2PZ -0.00489 0.00902 -0.05331 -0.03748 -0.03017 40 3S -0.79231 0.16781 0.41435 -0.71705 -0.26361 41 3PX 0.29140 -0.11874 -0.28619 0.31690 0.12808 42 3PY -0.16443 0.05113 -0.02293 -0.10314 0.01806 43 3PZ -0.25285 0.17675 0.13726 -0.37510 -0.06628 44 4XX -0.06412 -0.00727 0.09881 -0.04632 -0.02844 45 4YY 0.12246 0.01324 -0.00130 0.04092 -0.06500 46 4ZZ -0.05462 -0.02210 -0.01850 0.00892 0.08391 47 4XY -0.02761 -0.08734 0.08462 -0.05396 0.08161 48 4XZ 0.32440 -0.02689 -0.11476 -0.08612 0.00656 49 4YZ 0.08075 -0.10157 0.01059 0.01094 -0.03925 50 6 H 1S 0.19285 -0.00539 -0.05261 -0.03172 -0.03751 51 2S -0.08657 0.06930 0.08910 -0.07025 -0.00602 52 7 C 1S -0.05603 0.01412 -0.02274 -0.01260 -0.00746 53 2S -0.13509 0.27725 -0.29525 -0.67664 -0.02049 54 2PX 0.01091 -0.03292 -0.00392 -0.00838 0.03704 55 2PY -0.08247 -0.03926 0.06392 0.15941 -0.00556 56 2PZ 0.07072 0.04787 0.08639 -0.03356 -0.02221 57 3S 1.63823 -0.52049 0.92345 1.33140 0.15390 58 3PX 0.09912 0.08511 -0.32195 0.36679 0.06616 59 3PY -0.40205 0.12755 -0.48640 -0.98452 -0.15578 60 3PZ 0.16307 0.24166 0.24912 -0.14977 -0.07533 61 4XX -0.37602 -0.05348 -0.01676 0.11773 0.03236 62 4YY 0.36549 0.02819 0.03808 -0.00403 -0.18702 63 4ZZ -0.02493 -0.01876 -0.00723 0.07035 0.15757 64 4XY -0.17845 0.01736 -0.06967 0.04219 0.02915 65 4XZ -0.17290 -0.02664 -0.10157 -0.03897 -0.09843 66 4YZ -0.21148 -0.08734 -0.12834 0.10919 0.05401 67 8 H 1S -0.32084 0.03220 -0.05171 0.09889 0.11087 68 2S 0.11797 -0.03083 0.11440 0.25486 0.02807 69 9 C 1S 0.02534 0.01993 0.05255 -0.00481 0.00353 70 2S 0.16100 0.23757 0.42386 -0.09470 -0.24111 71 2PX -0.05143 -0.01958 -0.03168 0.04953 0.03320 72 2PY -0.04645 0.03112 0.05663 -0.04511 0.03150 73 2PZ 0.06811 -0.02881 -0.01286 0.09510 0.10869 74 3S -0.73571 -0.74575 -2.12509 -0.32535 0.06907 75 3PX -0.01826 0.09961 0.48524 -0.90753 -0.19797 76 3PY -0.08324 0.27860 0.64275 0.11259 -0.08502 77 3PZ 0.53057 0.24584 0.90375 -0.32761 -0.21751 78 4XX 0.15858 0.09307 0.01393 0.04802 0.08436 79 4YY 0.09272 -0.09088 -0.18734 0.10927 0.01248 80 4ZZ -0.25525 -0.03804 0.15147 -0.14317 -0.00188 81 4XY 0.03429 -0.02031 0.32893 -0.16344 -0.06070 82 4XZ 0.31597 0.09005 0.41080 -0.42670 -0.02414 83 4YZ 0.11152 -0.03785 -0.06774 -0.10368 0.03737 84 10 H 1S -0.13581 -0.02076 -0.28895 0.42913 0.03857 85 2S -0.06160 -0.07871 -0.13442 0.20584 0.15217 86 11 H 1S 0.07764 0.01575 0.46478 -0.31637 -0.11733 87 2S -0.05132 0.09428 -0.07199 -0.10225 0.06604 88 12 C 1S 0.02750 -0.01997 -0.05254 0.00473 0.00356 89 2S 0.17364 -0.23760 -0.42393 0.09469 -0.24017 90 2PX -0.05128 0.01965 0.03153 -0.04948 0.03285 91 2PY 0.04486 0.03119 0.05665 -0.04501 -0.03169 92 2PZ 0.07189 0.02887 0.01286 -0.09554 0.10844 93 3S -0.83688 0.74624 2.12592 0.32726 0.06712 94 3PX -0.03819 -0.09999 -0.48432 0.90780 -0.19500 95 3PY 0.05674 0.27874 0.64391 0.11193 0.08526 96 3PZ 0.55861 -0.24586 -0.90287 0.32759 -0.21630 97 4XX 0.16552 -0.09294 -0.01351 -0.04894 0.08415 98 4YY 0.08737 0.09061 0.18782 -0.10938 0.01281 99 4ZZ -0.25659 0.03813 -0.15235 0.14412 -0.00216 100 4XY -0.03876 -0.02014 0.32933 -0.16390 0.06097 101 4XZ 0.31723 -0.09047 -0.41003 0.42566 -0.02358 102 4YZ -0.10605 -0.03772 -0.06715 -0.10388 -0.03713 103 13 H 1S 0.08091 -0.01590 -0.46460 0.31624 -0.11674 104 2S -0.05769 -0.09457 0.07174 0.10236 0.06726 105 14 H 1S -0.13062 0.02087 0.28879 -0.42900 0.03824 106 2S -0.05892 0.07894 0.13406 -0.20602 0.15128 107 15 C 1S 0.00892 -0.01127 0.00398 -0.01699 0.03367 108 2S -0.11915 0.51103 0.11214 -0.54533 0.01492 109 2PX -0.03134 -0.09596 -0.00988 0.06901 0.22957 110 2PY -0.02511 0.16262 -0.01949 -0.01120 0.15582 111 2PZ -0.03353 0.09497 0.07583 -0.10280 -0.09662 112 3S -0.07832 -0.01800 -0.83836 1.62174 -0.71755 113 3PX -0.02766 -0.66281 0.75465 0.05499 0.40304 114 3PY 0.07011 0.40146 -0.73978 0.67590 -0.20857 115 3PZ 0.00582 -0.27160 -0.74826 0.52684 -0.53700 116 4XX 0.10370 0.29355 0.01537 0.30070 -0.09022 117 4YY 0.04410 0.23431 -0.00425 -0.03139 0.09104 118 4ZZ -0.07638 -0.62792 -0.04110 -0.17372 0.03566 119 4XY 0.03345 -0.29745 0.31588 0.32450 0.04094 120 4XZ 0.03502 0.02266 0.13636 0.14554 0.39517 121 4YZ -0.02441 -0.11376 0.23685 0.26356 0.00684 122 16 H 1S 0.05352 0.23361 -0.20436 0.01239 0.01940 123 2S 0.02860 0.00333 -0.36728 0.13928 -0.19857 124 17 C 1S 0.00790 0.01124 -0.00396 0.01695 0.03382 125 2S -0.13154 -0.50965 -0.11155 0.54546 0.01733 126 2PX -0.03155 0.09552 0.00966 -0.06961 0.22958 127 2PY 0.02303 0.16246 -0.01927 -0.01104 -0.15466 128 2PZ -0.03438 -0.09445 -0.07581 0.10301 -0.09637 129 3S -0.01964 0.01888 0.83747 -1.62069 -0.72816 130 3PX -0.01972 0.66353 -0.75498 -0.05644 0.40358 131 3PY -0.08902 0.40235 -0.74114 0.67690 0.21558 132 3PZ 0.02002 0.27193 0.74645 -0.52472 -0.53978 133 4XX 0.10170 -0.29389 -0.01440 -0.30021 -0.09037 134 4YY 0.04621 -0.23435 0.00329 0.03029 0.08953 135 4ZZ -0.07538 0.62806 0.04077 0.17428 0.03646 136 4XY -0.02868 -0.29772 0.31629 0.32451 -0.04204 137 4XZ 0.03811 -0.02335 -0.13573 -0.14587 0.39512 138 4YZ 0.02941 -0.11656 0.23707 0.26338 -0.00521 139 18 H 1S 0.05356 -0.23500 0.20512 -0.01214 0.01946 140 2S 0.02959 -0.00310 0.36666 -0.13917 -0.20002 141 19 O 1S 0.00152 0.00301 -0.02140 0.00525 -0.06146 142 2S -0.08265 0.21737 -0.01850 -0.11360 -0.92393 143 2PX -0.02131 -0.00664 0.06433 -0.05070 0.01503 144 2PY -0.01455 0.08682 0.00858 -0.02701 -0.08646 145 2PZ -0.02239 -0.05666 0.02608 0.01071 -0.02248 146 3S 0.11943 -0.43998 0.63037 -0.06829 3.05710 147 3PX 0.05430 0.10932 -0.04491 0.01796 0.25838 148 3PY 0.05222 -0.32779 0.19709 0.05622 1.28060 149 3PZ 0.09600 0.24631 -0.10312 0.03752 -0.01192 150 4XX 0.02791 0.38489 0.11916 0.26141 -0.22166 151 4YY 0.04262 -0.12874 0.07781 0.08041 0.37408 152 4ZZ -0.06207 -0.21878 -0.31357 -0.30783 -0.42542 153 4XY 0.11076 -0.02730 -0.05733 0.04571 0.09074 154 4XZ 0.01007 0.23582 0.06046 -0.03202 -0.31757 155 4YZ 0.20476 0.24660 -0.15957 -0.04121 0.09868 156 20 O 1S 0.00125 -0.00299 0.02147 -0.00512 -0.06143 157 2S -0.07945 -0.21645 0.01904 0.11534 -0.92396 158 2PX -0.01980 0.00680 -0.06433 0.05060 0.01489 159 2PY 0.01379 0.08663 0.00871 -0.02711 0.08671 160 2PZ -0.02176 0.05663 -0.02609 -0.01072 -0.02223 161 3S 0.11181 0.43794 -0.63281 0.06234 3.05763 162 3PX 0.04777 -0.10942 0.04519 -0.01811 0.25945 163 3PY -0.05077 -0.32673 0.19770 0.05859 -1.28078 164 3PZ 0.09432 -0.24657 0.10343 -0.03700 -0.01443 165 4XX 0.02138 -0.38451 -0.11858 -0.26087 -0.22187 166 4YY 0.04445 0.12776 -0.07725 -0.08053 0.37432 167 4ZZ -0.05824 0.21959 0.31280 0.30795 -0.42557 168 4XY -0.11193 -0.02699 -0.05779 0.04541 -0.09087 169 4XZ 0.00510 -0.23563 -0.06019 0.03292 -0.31693 170 4YZ -0.20562 0.24648 -0.16088 -0.04203 -0.09675 171 21 C 1S 0.01004 -0.00005 -0.00004 -0.00007 0.07429 172 2S -0.17422 0.00002 -0.00046 0.00057 -0.43906 173 2PX -0.08380 0.00014 0.00003 0.00039 -0.37915 174 2PY -0.00031 -0.08054 0.00671 0.02814 -0.00019 175 2PZ 0.05886 -0.00023 -0.00004 -0.00036 0.41702 176 3S -0.06289 0.00107 0.00187 0.00185 -2.14710 177 3PX 0.11016 0.00054 0.00091 0.00027 -0.79032 178 3PY -0.00154 -0.05020 0.12112 0.02718 -0.00015 179 3PZ 0.03613 -0.00037 -0.00055 -0.00041 0.57002 180 4XX -0.36903 0.00014 -0.00077 -0.00031 0.10328 181 4YY 0.01288 -0.00013 0.00073 0.00049 0.02708 182 4ZZ 0.41643 -0.00012 0.00015 -0.00043 0.04200 183 4XY -0.00239 -0.03663 -0.16072 -0.09192 -0.00028 184 4XZ 0.04212 -0.00038 -0.00047 -0.00042 0.56713 185 4YZ -0.00117 0.00427 -0.31416 -0.17786 -0.00044 186 22 H 1S 0.21971 -0.00005 0.00045 0.00005 -0.01730 187 2S -0.01294 0.00006 -0.00012 -0.00025 0.04495 188 23 H 1S -0.23295 0.00000 -0.00054 -0.00003 0.09796 189 2S 0.09431 -0.00005 0.00034 -0.00015 0.06391 166 167 168 169 170 V V V V V Eigenvalues -- 2.62740 2.64517 2.67570 2.69296 2.69442 1 1 C 1S -0.05656 0.05200 0.01594 -0.00471 -0.00402 2 2S 0.00867 0.62640 0.01404 0.19161 -0.07543 3 2PX 0.17996 -0.13292 -0.07431 -0.14840 -0.18065 4 2PY 0.15260 0.03905 -0.04984 0.03232 -0.06963 5 2PZ -0.10533 0.11462 0.06748 0.13049 0.25653 6 3S 1.48631 -3.28703 -0.56408 -0.85864 -0.09517 7 3PX 0.28910 -0.49584 -0.24039 -0.11801 -0.61257 8 3PY 0.66316 -1.77103 -0.22542 -0.51098 -0.00222 9 3PZ -0.09792 0.14018 -0.18497 0.13497 0.86134 10 4XX 0.03671 0.08801 -0.19035 -0.30853 -0.20049 11 4YY -0.39024 -0.18192 -0.02262 -0.14662 -0.24130 12 4ZZ 0.29625 0.00284 0.14675 0.35584 0.38496 13 4XY 0.19837 -0.21248 -0.07164 -0.10507 -0.43250 14 4XZ -0.63410 0.23632 0.05463 0.08953 0.03304 15 4YZ -0.18532 0.10363 -0.17726 -0.00774 0.52166 16 2 H 1S 0.20386 0.05722 0.01545 0.07373 0.12115 17 2S 0.03349 -0.33829 -0.13675 -0.13302 -0.05341 18 3 C 1S 0.03620 -0.09134 0.00243 -0.05616 -0.02074 19 2S -0.07678 -0.29554 0.03092 -0.05979 0.08345 20 2PX 0.27656 -0.11567 -0.01075 -0.03480 -0.16073 21 2PY 0.27678 0.18440 -0.12173 0.22426 -0.04208 22 2PZ -0.20664 0.07130 0.02481 0.05138 0.16093 23 3S -0.94711 4.83746 -0.18362 2.12127 0.87170 24 3PX 0.41000 -1.32341 -0.09802 -0.46057 -0.31917 25 3PY 0.05861 1.45588 -0.45592 0.72958 -0.43240 26 3PZ -0.38808 1.40997 0.32052 0.37739 0.27251 27 4XX -0.07552 -0.19361 -0.09694 -0.36700 0.14438 28 4YY -0.08822 0.44815 -0.24073 0.43720 -0.22515 29 4ZZ 0.16272 -0.23891 0.26508 -0.09109 0.20018 30 4XY -0.31780 -0.10219 0.11004 -0.11185 0.10902 31 4XZ 0.23970 -0.46473 -0.11102 -0.18940 -0.38809 32 4YZ 0.24474 0.23593 -0.32470 -0.28354 -0.12735 33 4 H 1S -0.10026 -0.20974 0.07940 -0.01275 -0.11785 34 2S -0.07710 0.56218 -0.02362 0.13228 0.09966 35 5 C 1S 0.03680 0.09115 -0.00234 0.05436 -0.02488 36 2S -0.07489 0.29598 -0.03132 0.06568 0.07929 37 2PX 0.27728 0.11416 0.01170 0.02206 -0.16312 38 2PY -0.27385 0.18593 -0.12285 0.22750 0.02520 39 2PZ -0.20713 -0.06996 -0.02560 -0.03839 0.16433 40 3S -0.97498 -4.83082 0.18217 -2.04706 1.02496 41 3PX 0.41677 1.31988 0.09920 0.43349 -0.35283 42 3PY -0.04621 1.46003 -0.45433 0.76095 0.37793 43 3PZ -0.39378 -1.40454 -0.32197 -0.35314 0.30025 44 4XX -0.07536 0.19384 0.09696 0.37691 0.11692 45 4YY -0.09157 -0.44891 0.24073 -0.45224 -0.19336 46 4ZZ 0.16569 0.23953 -0.26472 0.10514 0.19339 47 4XY 0.31756 -0.10364 0.11082 -0.11964 -0.09988 48 4XZ 0.24233 0.46264 0.11150 0.15922 -0.40196 49 4YZ -0.24258 0.23625 -0.32435 -0.27345 0.14757 50 6 H 1S -0.09935 0.20986 -0.08014 0.00403 -0.11843 51 2S -0.08003 -0.56139 0.02364 -0.12406 0.10888 52 7 C 1S -0.05668 -0.05166 -0.01620 0.00459 -0.00432 53 2S 0.00629 -0.62597 -0.01422 -0.19698 -0.06155 54 2PX 0.18094 0.13196 0.07446 0.13403 -0.19135 55 2PY -0.15178 0.04012 -0.04995 0.03824 0.06659 56 2PZ -0.10611 -0.11405 -0.06728 -0.11066 0.26572 57 3S 1.49873 3.27635 0.56977 0.84351 -0.15817 58 3PX 0.29107 0.49635 0.24103 0.07152 -0.62032 59 3PY -0.66998 -1.76536 -0.22877 -0.50627 0.03746 60 3PZ -0.10025 -0.14216 0.18707 -0.07186 0.86938 61 4XX 0.03643 -0.08673 0.19041 0.29353 -0.22460 62 4YY -0.39045 0.18167 0.02017 0.12846 -0.24927 63 4ZZ 0.29682 -0.00360 -0.14487 -0.32699 0.40994 64 4XY -0.19766 -0.21114 -0.07113 -0.07139 0.43932 65 4XZ -0.63590 -0.23370 -0.05730 -0.08513 0.04130 66 4YZ 0.18412 0.10273 -0.17788 -0.04575 -0.52049 67 8 H 1S 0.20366 -0.05725 -0.01381 -0.06456 0.12640 68 2S 0.03451 0.33713 0.13673 0.12803 -0.06321 69 9 C 1S 0.02361 0.02583 -0.04794 0.00256 0.04185 70 2S 0.04034 -0.03681 -0.01579 0.28782 -0.05239 71 2PX -0.04965 -0.01430 0.02146 -0.01153 -0.06503 72 2PY -0.11816 0.01585 -0.20983 0.01658 -0.08337 73 2PZ 0.11413 0.11220 0.02086 -0.06260 0.18668 74 3S -0.49566 -1.44359 0.82790 -0.92131 -0.77561 75 3PX 0.03289 -0.28903 -0.31636 0.25414 -0.08023 76 3PY 0.04428 0.42306 -0.69475 0.42433 -0.21532 77 3PZ 0.33273 0.32241 0.11598 0.23381 0.45280 78 4XX 0.20484 0.11974 -0.36858 -0.11891 0.23237 79 4YY -0.04677 -0.07516 0.65270 -0.01703 0.13037 80 4ZZ -0.11123 0.03927 -0.40802 0.02257 -0.29341 81 4XY 0.00367 0.01509 0.08478 0.15797 -0.08332 82 4XZ -0.00099 -0.04260 0.02787 -0.12911 0.16686 83 4YZ 0.20582 -0.04457 -0.11678 -0.32178 0.26698 84 10 H 1S -0.06365 0.07382 0.10656 0.08800 -0.03899 85 2S -0.05861 0.03271 0.01676 -0.15883 -0.02525 86 11 H 1S -0.02338 0.01125 0.07774 0.16752 -0.04192 87 2S 0.04330 -0.05027 -0.15064 0.06073 -0.04831 88 12 C 1S 0.02329 -0.02598 0.04816 0.00044 0.04175 89 2S 0.03928 0.03564 0.01565 -0.29165 -0.03096 90 2PX -0.04949 0.01459 -0.02180 0.00682 -0.06598 91 2PY 0.11890 0.01531 -0.20906 0.02209 0.08214 92 2PZ 0.11420 -0.11253 -0.02020 0.07605 0.18144 93 3S -0.48342 1.44772 -0.83228 0.86398 -0.83806 94 3PX 0.03016 0.28938 0.31646 -0.25971 -0.06141 95 3PY -0.03898 0.42432 -0.69409 0.43974 0.18406 96 3PZ 0.33054 -0.32445 -0.11419 -0.20117 0.46957 97 4XX 0.20317 -0.12057 0.36993 0.13489 0.22111 98 4YY -0.04329 0.07538 -0.65202 0.02785 0.13107 99 4ZZ -0.11349 -0.03868 0.40650 -0.04452 -0.29198 100 4XY -0.00254 0.01517 0.08570 0.16390 0.07099 101 4XZ 0.00027 0.04206 -0.02712 0.14138 0.15816 102 4YZ -0.20641 -0.04353 -0.12032 -0.33965 -0.24081 103 13 H 1S -0.02398 -0.01156 -0.07790 -0.17043 -0.02865 104 2S 0.04235 0.05067 0.15054 -0.06396 -0.04418 105 14 H 1S -0.06347 -0.07348 -0.10694 -0.09028 -0.03253 106 2S -0.05773 -0.03233 -0.01707 0.15705 -0.03756 107 15 C 1S -0.00052 -0.03919 -0.02974 0.03031 0.00075 108 2S -0.05764 -0.17701 -0.08315 0.11006 -0.00161 109 2PX -0.10465 0.08536 0.01825 -0.00617 0.00641 110 2PY -0.02380 0.24176 0.18959 -0.23504 0.00790 111 2PZ 0.02044 -0.06652 -0.03207 0.03654 -0.02373 112 3S 0.21921 1.67015 1.23721 -1.21895 -0.03219 113 3PX -0.08533 -0.03189 -0.12153 -0.01670 0.00551 114 3PY -0.04321 0.88988 0.76039 -0.74648 0.08021 115 3PZ 0.09688 0.46059 0.27645 -0.09613 0.02427 116 4XX 0.01312 -0.21814 -0.22583 0.23785 -0.01855 117 4YY -0.00290 0.43691 0.37392 -0.48089 0.02373 118 4ZZ 0.05157 -0.17919 -0.11243 0.16517 -0.01492 119 4XY -0.01035 -0.10118 -0.03291 -0.02146 -0.02923 120 4XZ -0.14091 0.13185 -0.01492 0.02457 -0.00928 121 4YZ 0.00096 0.05204 0.13446 -0.15479 0.03218 122 16 H 1S -0.05700 0.00406 -0.07152 0.11197 -0.01326 123 2S 0.02556 0.19569 0.19789 -0.15256 0.07297 124 17 C 1S -0.00074 0.03922 0.02972 -0.03015 0.00295 125 2S -0.05897 0.17765 0.08282 -0.10833 0.00687 126 2PX -0.10537 -0.08441 -0.01843 0.00653 0.00607 127 2PY 0.02282 0.24081 0.18953 -0.23511 0.00879 128 2PZ 0.02043 0.06675 0.03246 -0.03836 -0.02099 129 3S 0.22947 -1.67174 -1.23582 1.21145 -0.12318 130 3PX -0.08668 0.03305 0.12138 0.01735 0.00573 131 3PY 0.03836 0.89217 0.76119 -0.74960 -0.02458 132 3PZ 0.09895 -0.46044 -0.27424 0.09425 0.01531 133 4XX 0.01244 0.21760 0.22592 -0.23873 -0.00205 134 4YY -0.00115 -0.43737 -0.37454 0.48193 -0.01031 135 4ZZ 0.05086 0.17954 0.11309 -0.16671 -0.00299 136 4XY 0.01050 -0.10091 -0.03273 -0.01968 0.03085 137 4XZ -0.14166 -0.13095 0.01411 -0.02460 -0.00722 138 4YZ -0.00237 0.05011 0.13280 -0.15472 -0.02126 139 18 H 1S -0.05778 -0.00452 0.07085 -0.11224 -0.00554 140 2S 0.02665 -0.19633 -0.19735 0.15651 0.06108 141 19 O 1S 0.01851 -0.02786 -0.01414 0.01328 0.00054 142 2S 0.21299 -0.11844 -0.06457 0.19382 0.09392 143 2PX -0.00917 0.04502 0.02455 -0.00764 0.01160 144 2PY 0.01341 0.02119 0.01447 -0.01863 0.00665 145 2PZ -0.00159 -0.01143 -0.01159 0.01819 0.00363 146 3S -0.78340 0.40199 0.19113 -0.51863 -0.25844 147 3PX -0.09364 -0.18548 -0.13910 0.10634 0.02056 148 3PY -0.29121 0.22202 0.11250 -0.22248 -0.14279 149 3PZ 0.03244 0.07117 0.08070 -0.13884 -0.07980 150 4XX 0.04058 -0.11753 -0.07640 0.06087 0.04627 151 4YY -0.06713 0.13533 0.09150 -0.16320 -0.09363 152 4ZZ 0.11375 -0.10263 -0.04255 0.08639 0.04005 153 4XY -0.05729 -0.05723 -0.08119 0.10618 0.03055 154 4XZ 0.08934 -0.21131 -0.10426 0.09098 -0.02358 155 4YZ -0.01708 0.08594 0.06949 -0.10165 -0.03655 156 20 O 1S 0.01855 0.02768 0.01421 -0.01324 0.00140 157 2S 0.21374 0.11660 0.06617 -0.18815 0.10737 158 2PX -0.00908 -0.04485 -0.02453 0.00848 0.01125 159 2PY -0.01359 0.02124 0.01423 -0.01859 -0.00526 160 2PZ -0.00181 0.01130 0.01155 -0.01795 0.00490 161 3S -0.78625 -0.39488 -0.19619 0.50322 -0.29269 162 3PX -0.09481 0.18599 0.13864 -0.10398 0.02810 163 3PY 0.29201 0.21930 0.11500 -0.21454 0.15773 164 3PZ 0.03393 -0.07078 -0.08045 0.13236 -0.08955 165 4XX 0.04062 0.11724 0.07720 -0.05831 0.05020 166 4YY -0.06703 -0.13545 -0.09310 0.15846 -0.10529 167 4ZZ 0.11398 0.10226 0.04367 -0.08487 0.04617 168 4XY 0.05770 -0.05780 -0.08105 0.10329 -0.03804 169 4XZ 0.08977 0.20997 0.10416 -0.09155 -0.01745 170 4YZ 0.01648 0.08549 0.06937 -0.09827 0.04347 171 21 C 1S -0.01676 0.00007 -0.00006 -0.00039 -0.01205 172 2S 0.00900 -0.00008 0.00028 -0.00132 -0.01419 173 2PX 0.06132 -0.00032 0.00028 0.00097 0.03738 174 2PY 0.00006 0.25163 0.17478 -0.26562 0.00943 175 2PZ -0.08962 0.00062 -0.00023 -0.00221 -0.06556 176 3S 0.59899 -0.00281 0.00194 0.01394 0.41467 177 3PX 0.27664 -0.00100 0.00113 0.00811 0.24174 178 3PY -0.00006 0.35155 0.23154 -0.32572 0.01155 179 3PZ -0.12380 0.00087 -0.00027 -0.00147 -0.04749 180 4XX 0.00343 0.00043 0.00013 -0.00117 -0.02285 181 4YY -0.01666 0.00009 -0.00008 0.00082 0.00869 182 4ZZ 0.00404 -0.00044 -0.00009 0.00149 0.03930 183 4XY 0.00006 0.26261 0.17517 -0.26196 0.00938 184 4XZ -0.14420 0.00072 -0.00050 -0.00291 -0.09199 185 4YZ 0.00010 -0.26593 -0.18243 0.26964 -0.00957 186 22 H 1S -0.00072 -0.00017 -0.00001 0.00096 0.02308 187 2S 0.02556 0.00014 0.00022 0.00137 0.04216 188 23 H 1S -0.03126 0.00020 -0.00020 -0.00190 -0.05768 189 2S -0.06388 0.00018 -0.00009 -0.00143 -0.03425 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76595 2.80387 2.86686 2.87992 1 1 C 1S -0.07986 -0.00403 -0.01694 -0.00219 -0.01092 2 2S -0.83750 -0.03200 -0.48244 -0.16633 -0.07334 3 2PX 0.12903 0.01634 0.04262 -0.00106 0.02484 4 2PY 0.01624 0.00277 -0.08052 -0.02812 0.00851 5 2PZ 0.01721 -0.01854 -0.09834 0.04602 -0.02247 6 3S 4.27981 0.15011 1.05657 0.35899 0.44532 7 3PX 0.17116 0.02276 0.05155 -0.08387 0.04761 8 3PY 1.92125 0.02531 0.68666 0.18275 0.15644 9 3PZ 0.39850 -0.11427 -0.18523 0.05365 -0.17520 10 4XX -0.24060 0.02719 0.18533 -0.02004 0.03304 11 4YY 0.17022 0.01083 0.00249 0.02491 0.00321 12 4ZZ 0.29028 -0.03113 -0.05352 0.06310 -0.02636 13 4XY 0.19856 0.02960 -0.03047 -0.01947 0.04615 14 4XZ -0.28962 0.00015 0.04654 -0.01717 -0.03651 15 4YZ 0.07320 -0.02841 -0.12952 0.04433 -0.04075 16 2 H 1S -0.11662 -0.02535 0.04130 -0.01883 -0.02170 17 2S 0.44652 0.01537 0.11984 0.05353 0.03656 18 3 C 1S 0.03643 0.00310 0.00782 0.00507 0.00692 19 2S 0.29454 0.05920 0.04144 -0.01543 0.13534 20 2PX 0.12040 0.00258 0.03293 0.00524 0.01203 21 2PY 0.19089 0.00754 0.00841 -0.03250 0.04057 22 2PZ -0.08415 -0.01734 -0.01735 0.00478 -0.02922 23 3S -3.14684 -0.19851 -1.03474 -0.26873 -0.42589 24 3PX 1.23047 0.07928 0.40670 0.03802 0.19580 25 3PY -0.53473 0.05401 -0.22229 -0.14425 0.04450 26 3PZ -1.31532 -0.01917 -0.38901 -0.03337 -0.09488 27 4XX -0.22835 -0.02221 0.00535 0.01811 -0.04955 28 4YY 0.29266 0.00168 -0.00569 -0.04837 -0.01506 29 4ZZ -0.05868 -0.00923 -0.01541 0.05290 0.00241 30 4XY -0.06511 -0.00886 0.03108 0.01537 -0.02477 31 4XZ 0.34550 0.03647 0.02861 -0.03098 0.06137 32 4YZ -0.19994 0.00549 0.01922 -0.04922 0.01972 33 4 H 1S 0.12376 0.02173 -0.01167 0.00239 0.02002 34 2S -0.42567 0.00075 -0.13477 -0.01612 -0.02756 35 5 C 1S -0.03643 0.00336 -0.00786 -0.00507 0.00696 36 2S -0.29363 0.06071 -0.04152 0.01535 0.13552 37 2PX -0.12058 0.00323 -0.03313 -0.00519 0.01183 38 2PY 0.19031 -0.00805 0.00865 -0.03256 -0.03979 39 2PZ 0.08436 -0.01786 0.01766 -0.00481 -0.02904 40 3S 3.14430 -0.21744 1.03532 0.26919 -0.42707 41 3PX -1.22930 0.08603 -0.40706 -0.03805 0.19499 42 3PY -0.53803 -0.04959 -0.22358 -0.14404 -0.04154 43 3PZ 1.31312 -0.02594 0.38885 0.03302 -0.09408 44 4XX 0.22861 -0.02271 -0.00549 -0.01800 -0.04901 45 4YY -0.29246 0.00239 0.00584 0.04845 -0.01607 46 4ZZ 0.05767 -0.00939 0.01546 -0.05303 0.00290 47 4XY -0.06382 0.00876 0.03091 0.01526 0.02421 48 4XZ -0.34489 0.03828 -0.02885 0.03103 0.06089 49 4YZ -0.20091 -0.00491 0.01946 -0.04902 -0.01911 50 6 H 1S -0.12355 0.02234 0.01173 -0.00246 0.02013 51 2S 0.42527 -0.00152 0.13491 0.01607 -0.02759 52 7 C 1S 0.07980 -0.00442 0.01703 0.00218 -0.01091 53 2S 0.83719 -0.03703 0.48211 0.16633 -0.07340 54 2PX -0.12912 0.01715 -0.04229 0.00103 0.02446 55 2PY 0.01595 -0.00255 -0.08058 -0.02805 -0.00822 56 2PZ -0.01708 -0.01875 0.09854 -0.04601 -0.02200 57 3S -4.27590 0.17267 -1.05835 -0.35858 0.44459 58 3PX -0.17373 0.02327 -0.05221 0.08345 0.04660 59 3PY 1.91974 -0.03585 0.68755 0.18259 -0.15614 60 3PZ -0.39570 -0.11243 0.18573 -0.05248 -0.17377 61 4XX 0.23922 0.02696 -0.18592 0.01999 0.03282 62 4YY -0.16874 0.01173 -0.00157 -0.02505 0.00294 63 4ZZ -0.29020 -0.03031 0.05338 -0.06287 -0.02602 64 4XY 0.19880 -0.03058 -0.03044 -0.01933 -0.04561 65 4XZ 0.28909 -0.00139 -0.04582 0.01680 -0.03654 66 4YZ 0.07369 0.02819 -0.12965 0.04417 0.03984 67 8 H 1S 0.11581 -0.02594 -0.04168 0.01883 -0.02163 68 2S -0.44572 0.01795 -0.11990 -0.05346 0.03669 69 9 C 1S -0.03528 -0.00437 0.01176 -0.00770 -0.00607 70 2S -0.21491 -0.04610 0.27635 -0.03897 0.02161 71 2PX 0.06082 0.00907 -0.05045 0.01272 -0.01714 72 2PY 0.12114 0.01025 -0.03995 0.01735 -0.00870 73 2PZ -0.20583 -0.00047 -0.06670 -0.02570 -0.00314 74 3S 2.28218 0.11836 -0.19904 0.33485 0.04015 75 3PX 0.34251 -0.03170 0.49670 -0.02476 0.05205 76 3PY 0.21185 0.01803 -0.04653 -0.02013 0.04474 77 3PZ -0.97181 -0.04358 0.40331 -0.15939 0.01800 78 4XX -0.01256 -0.00320 -0.06125 -0.01234 -0.01500 79 4YY -0.35518 -0.00755 0.13328 -0.04034 -0.02478 80 4ZZ 0.36163 0.01908 -0.14073 0.04822 0.00273 81 4XY 0.04714 0.00776 -0.04533 0.00382 0.02312 82 4XZ -0.17479 0.00276 0.08602 -0.02010 0.01372 83 4YZ -0.15848 -0.01564 0.03265 -0.01510 -0.01004 84 10 H 1S -0.08228 -0.00700 -0.06366 -0.00164 -0.02122 85 2S -0.07238 0.01805 -0.22390 0.01489 -0.02822 86 11 H 1S -0.09106 0.00583 0.11180 -0.02474 0.02023 87 2S -0.08295 -0.05607 0.10173 -0.00530 0.00225 88 12 C 1S 0.03531 -0.00453 -0.01176 0.00773 -0.00607 89 2S 0.21566 -0.04726 -0.27640 0.03921 0.02163 90 2PX -0.06108 0.00932 0.05055 -0.01281 -0.01700 91 2PY 0.12100 -0.01067 -0.04013 0.01735 0.00840 92 2PZ 0.20604 -0.00146 0.06661 0.02584 -0.00332 93 3S -2.28405 0.13071 0.19972 -0.33619 0.04030 94 3PX -0.34401 -0.02988 -0.49658 0.02461 0.05162 95 3PY 0.20977 -0.01840 -0.04608 -0.02007 -0.04591 96 3PZ 0.97338 -0.04811 -0.40417 0.15981 0.01684 97 4XX 0.01226 -0.00316 0.06143 0.01236 -0.01483 98 4YY 0.35577 -0.00894 -0.13336 0.04045 -0.02567 99 4ZZ -0.36223 0.02053 0.14068 -0.04843 0.00351 100 4XY 0.04673 -0.00764 -0.04521 0.00379 -0.02322 101 4XZ 0.17594 0.00214 -0.08629 0.02034 0.01332 102 4YZ -0.15709 0.01580 0.03226 -0.01509 0.01012 103 13 H 1S 0.09132 0.00526 -0.11184 0.02479 0.02006 104 2S 0.08216 -0.05665 -0.10180 0.00553 0.00215 105 14 H 1S 0.08217 -0.00756 0.06377 0.00164 -0.02111 106 2S 0.07235 0.01762 0.22406 -0.01486 -0.02792 107 15 C 1S 0.02047 0.02603 0.10186 -0.01591 0.02804 108 2S 0.15056 -0.09252 0.64178 0.06157 -0.18683 109 2PX 0.04752 0.25693 0.27622 0.09530 0.32215 110 2PY 0.13925 0.17840 -0.23322 0.28253 0.08277 111 2PZ -0.05943 -0.16142 -0.03115 -0.07230 -0.22892 112 3S -1.08097 -0.60430 -5.68224 0.43178 -0.97151 113 3PX 0.11884 0.18859 0.75613 0.02164 0.36989 114 3PY -0.02790 0.16286 -2.30449 0.29571 0.32745 115 3PZ -0.50521 -0.19447 -1.89810 -0.01263 -0.33065 116 4XX -0.21047 -0.03638 0.18676 -0.23064 -0.22074 117 4YY 0.32746 -0.04617 -0.47782 0.55800 0.21486 118 4ZZ -0.03519 0.09107 0.11850 -0.30938 -0.07947 119 4XY -0.04372 -0.25544 -0.00859 0.44793 -0.13317 120 4XZ 0.00926 0.18743 0.42180 0.10703 0.37880 121 4YZ 0.05564 0.18797 -0.39050 -0.50400 0.10534 122 16 H 1S -0.04890 -0.02711 0.25057 0.27637 0.05051 123 2S 0.04089 0.05110 -0.71729 -0.10456 0.01781 124 17 C 1S -0.02040 0.02621 -0.10188 0.01586 0.02801 125 2S -0.15220 -0.09029 -0.64237 -0.06176 -0.18651 126 2PX -0.04605 0.25708 -0.27619 -0.09544 0.32181 127 2PY 0.13865 -0.17856 -0.23399 0.28277 -0.08258 128 2PZ 0.05880 -0.16168 0.03029 0.07310 -0.22865 129 3S 1.07933 -0.61503 5.68265 -0.43093 -0.96873 130 3PX -0.11839 0.19027 -0.75590 -0.02162 0.37036 131 3PY -0.03129 -0.16084 -2.30753 0.29595 -0.32775 132 3PZ 0.50559 -0.19984 1.89250 0.01328 -0.33075 133 4XX 0.21069 -0.03839 -0.18595 0.23077 -0.22147 134 4YY -0.32773 -0.04382 0.47880 -0.55599 0.21638 135 4ZZ 0.03566 0.09103 -0.12018 0.30705 -0.07985 136 4XY -0.04245 0.25706 -0.00707 0.44682 0.13171 137 4XZ -0.00884 0.18816 -0.42115 -0.10580 0.37871 138 4YZ 0.05358 -0.18949 -0.38871 -0.50552 -0.10456 139 18 H 1S 0.04889 -0.02826 -0.24980 -0.27578 0.05022 140 2S -0.03995 0.05112 0.71589 0.10411 0.01795 141 19 O 1S -0.02208 -0.04836 -0.03133 0.03046 0.00134 142 2S -0.42741 -0.32722 -0.85492 0.04192 0.00670 143 2PX -0.00661 -0.00134 -0.05068 -0.03000 -0.04381 144 2PY 0.00647 0.07688 -0.04201 -0.02997 0.05007 145 2PZ -0.01046 0.00327 0.01558 0.02249 0.03258 146 3S 1.35772 1.34629 2.86607 -0.44365 -0.01949 147 3PX 0.11376 0.25809 0.65446 0.18023 1.07671 148 3PY 0.45606 0.16973 0.97025 -0.06255 -0.43967 149 3PZ 0.05604 -0.12623 -0.17069 -0.15491 -0.86952 150 4XX -0.07316 0.23338 0.02358 -0.04101 0.31445 151 4YY 0.16904 -0.51252 0.23121 0.15230 -0.30301 152 4ZZ -0.09828 0.06986 -0.25481 0.07162 0.05327 153 4XY -0.11113 -0.11304 0.06504 0.43330 0.65027 154 4XZ -0.16235 -0.60747 -0.24055 0.17765 -0.18637 155 4YZ 0.13789 0.13841 0.13058 -0.28938 -0.54338 156 20 O 1S 0.02189 -0.04869 0.03122 -0.03029 0.00139 157 2S 0.42687 -0.33137 0.85314 -0.04193 0.00719 158 2PX 0.00656 -0.00124 0.05079 0.02981 -0.04386 159 2PY 0.00582 -0.07710 -0.04183 -0.02971 -0.05007 160 2PZ 0.01058 0.00298 -0.01571 -0.02242 0.03255 161 3S -1.35429 1.36079 -2.86024 0.44170 -0.02149 162 3PX -0.11280 0.25806 -0.65508 -0.17971 1.07629 163 3PY 0.45729 -0.17427 0.96706 -0.06306 0.44225 164 3PZ -0.05614 -0.12499 0.17282 0.15448 -0.86832 165 4XX 0.07491 0.23262 -0.02408 0.04069 0.31476 166 4YY -0.17322 -0.51056 -0.23121 -0.14924 -0.30507 167 4ZZ 0.09981 0.06802 0.25502 -0.07330 0.05501 168 4XY -0.11062 0.11703 0.06529 0.43264 -0.64990 169 4XZ 0.15905 -0.60917 0.23948 -0.17524 -0.18701 170 4YZ 0.13687 -0.14233 0.12904 -0.28859 0.54267 171 21 C 1S 0.00004 0.02773 0.00011 -0.00005 -0.07866 172 2S 0.00064 -0.01874 -0.00056 -0.00012 0.25252 173 2PX 0.00017 -0.05931 -0.00043 0.00009 0.29584 174 2PY 0.39083 -0.00273 0.51814 -0.34035 0.00068 175 2PZ 0.00023 0.07556 0.00101 -0.00036 -0.32714 176 3S -0.00086 -0.75675 -0.00254 0.00129 2.15244 177 3PX 0.00022 -0.00933 -0.00080 -0.00016 0.37843 178 3PY 0.38411 -0.00257 0.28892 -0.32210 0.00046 179 3PZ -0.00008 -0.03194 0.00023 -0.00013 -0.35517 180 4XX 0.00096 0.39423 0.00043 -0.00066 -0.35307 181 4YY -0.00159 -0.74228 -0.00015 0.00092 0.56672 182 4ZZ 0.00060 0.40234 0.00002 -0.00030 -0.24818 183 4XY 0.35247 -0.00173 0.39848 -0.12380 0.00015 184 4XZ -0.00037 -0.14355 0.00064 0.00021 -0.16513 185 4YZ -0.31657 0.00088 -0.32455 0.27958 0.00073 186 22 H 1S -0.00024 -0.07781 -0.00012 0.00010 0.00241 187 2S 0.00037 0.16848 0.00006 -0.00034 -0.15178 188 23 H 1S -0.00032 -0.09322 0.00000 0.00017 -0.05893 189 2S 0.00061 0.22025 0.00062 -0.00043 -0.15268 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10579 3.13118 4.00625 4.10573 1 1 C 1S -0.00268 -0.00732 0.05165 0.01881 0.02680 2 2S 0.22329 -0.37753 0.09994 -0.25495 -0.58490 3 2PX 0.21122 0.01245 -0.17934 0.02142 0.05964 4 2PY 0.14455 -0.05424 -0.05589 -0.00589 -0.00041 5 2PZ -0.24013 -0.02614 0.11052 -0.02749 -0.03781 6 3S 0.36151 0.85205 -1.91580 0.29082 1.22912 7 3PX 0.85921 -0.08797 -0.11678 0.05114 -0.09068 8 3PY -0.03396 0.47465 -0.86126 0.18096 0.81123 9 3PZ -1.13001 0.03598 -0.21971 -0.07105 0.20602 10 4XX 0.15665 0.07155 -0.09802 0.13855 0.26293 11 4YY 0.04421 0.11079 0.46059 0.10360 0.20364 12 4ZZ -0.17180 -0.02600 -0.34402 0.09674 0.23445 13 4XY 0.39116 -0.01026 0.01616 0.03128 0.01392 14 4XZ -0.17174 0.07747 0.44790 -0.01473 -0.08619 15 4YZ -0.46140 0.01169 0.00176 -0.04407 0.00791 16 2 H 1S -0.03111 -0.04432 -0.20529 -0.01775 -0.00203 17 2S -0.00285 0.14006 -0.04771 0.08698 0.23863 18 3 C 1S 0.00098 0.00433 -0.05716 -0.03376 -0.00811 19 2S -0.02764 0.22691 0.08205 0.31025 0.38973 20 2PX 0.17658 -0.01772 -0.08625 0.02373 0.02803 21 2PY 0.40596 -0.01751 0.07845 0.03280 -0.02168 22 2PZ -0.16351 -0.00499 0.04937 -0.03622 -0.03571 23 3S 0.11087 -1.02752 2.10684 -0.18795 -1.45366 24 3PX 0.67959 0.37071 -0.62029 0.11941 0.55494 25 3PY 1.46998 -0.34267 0.58749 0.03510 -0.60779 26 3PZ -0.45907 -0.21268 0.71576 -0.05034 -0.45568 27 4XX -0.35247 -0.04157 -0.14097 -0.18774 -0.14669 28 4YY 0.64412 -0.00409 0.38905 -0.14204 -0.21825 29 4ZZ -0.26132 -0.05637 -0.35691 -0.15335 -0.09691 30 4XY -0.27818 0.13542 0.55046 -0.01530 -0.01988 31 4XZ 0.38689 0.03633 -0.02750 0.03902 0.07215 32 4YZ 0.31131 -0.08225 -0.45001 0.01226 0.04286 33 4 H 1S 0.00038 0.07460 0.29573 0.03215 -0.00524 34 2S 0.02809 -0.12664 0.07936 -0.03792 -0.21838 35 5 C 1S -0.00101 -0.00437 0.05711 -0.03380 0.00972 36 2S 0.02709 -0.22672 -0.08192 0.31127 -0.40120 37 2PX -0.17698 0.01767 0.08598 0.02380 -0.02789 38 2PY 0.40563 -0.01743 0.07917 -0.03263 -0.02149 39 2PZ 0.16386 0.00512 -0.04898 -0.03628 0.03543 40 3S -0.11116 1.02772 -2.10564 -0.19138 1.45126 41 3PX -0.68144 -0.37061 0.61949 0.12112 -0.55498 42 3PY 1.46790 -0.34341 0.58909 -0.03443 -0.60896 43 3PZ 0.46122 0.21202 -0.71412 -0.05160 0.45513 44 4XX 0.35331 0.04123 0.13973 -0.18822 0.15318 45 4YY -0.64521 0.00446 -0.38667 -0.14241 0.22405 46 4ZZ 0.26164 0.05607 0.35556 -0.15366 0.10332 47 4XY -0.27666 0.13552 0.55072 0.01521 -0.01972 48 4XZ -0.38753 -0.03612 0.02854 0.03921 -0.07225 49 4YZ 0.30919 -0.08227 -0.45090 -0.01223 0.04285 50 6 H 1S -0.00024 -0.07463 -0.29563 0.03221 0.00444 51 2S -0.02798 0.12662 -0.07924 -0.03840 0.21981 52 7 C 1S 0.00271 0.00740 -0.05159 0.01867 -0.02542 53 2S -0.22319 0.37731 -0.10017 -0.25482 0.57613 54 2PX -0.21140 -0.01223 0.17924 0.02144 -0.05988 55 2PY 0.14381 -0.05429 -0.05526 0.00602 -0.00019 56 2PZ 0.24007 0.02628 -0.11039 -0.02750 0.03781 57 3S -0.36157 -0.85306 1.91395 0.29413 -1.23289 58 3PX -0.85890 0.08782 0.11788 0.05187 0.08938 59 3PY -0.03663 0.47517 -0.86045 -0.18266 0.81102 60 3PZ 1.12960 -0.03553 0.21842 -0.07191 -0.20470 61 4XX -0.15781 -0.07194 0.09838 0.13843 -0.25824 62 4YY -0.04184 -0.11032 -0.46028 0.10307 -0.19795 63 4ZZ 0.17073 0.02631 0.34346 0.09646 -0.22971 64 4XY 0.39053 -0.00995 0.01757 -0.03132 0.01398 65 4XZ 0.17332 -0.07742 -0.44701 -0.01498 0.08658 66 4YZ -0.46122 0.01135 -0.00047 0.04411 0.00827 67 8 H 1S 0.03102 0.04411 0.20516 -0.01764 0.00126 68 2S 0.00280 -0.14011 0.04745 0.08742 -0.23693 69 9 C 1S 0.00106 0.00690 0.03687 0.06645 -0.01543 70 2S -0.06625 0.19574 -0.02990 -0.46024 -0.07283 71 2PX -0.03428 -0.02770 -0.02554 0.01898 0.03801 72 2PY -0.12643 0.00899 -0.05811 0.02753 0.01926 73 2PZ 0.12775 -0.05874 0.14366 0.00926 -0.03072 74 3S -0.24465 -0.11467 -1.19723 -0.20642 0.86749 75 3PX -0.09351 0.34145 -0.16150 -0.12579 0.03427 76 3PY -0.72645 0.15689 0.02029 -0.03457 -0.17277 77 3PZ 0.55308 0.09814 0.32350 0.00257 -0.47765 78 4XX -0.01163 -0.01189 0.20095 0.28849 -0.04941 79 4YY 0.36499 -0.06428 0.00043 0.24051 0.00132 80 4ZZ -0.34528 -0.00601 -0.07807 0.24835 0.04497 81 4XY -0.04044 -0.02388 -0.06221 0.00050 -0.00709 82 4XZ 0.11536 0.00292 -0.01377 0.02084 -0.06500 83 4YZ 0.10647 0.03776 0.31202 0.00147 -0.01841 84 10 H 1S 0.00179 -0.03760 0.01603 -0.02330 0.01801 85 2S 0.00281 -0.13854 0.07825 0.11729 0.06103 86 11 H 1S 0.01109 0.03983 -0.04586 -0.01849 -0.10102 87 2S -0.00870 0.10169 0.09747 -0.03425 0.14611 88 12 C 1S -0.00108 -0.00689 -0.03694 0.06655 0.01689 89 2S 0.06646 -0.19549 0.03004 -0.46123 0.06385 90 2PX 0.03459 0.02764 0.02581 0.01907 -0.03806 91 2PY -0.12617 0.00893 -0.05810 -0.02750 0.01913 92 2PZ -0.12807 0.05872 -0.14399 0.00922 0.03102 93 3S 0.24534 0.11470 1.19830 -0.20528 -0.87195 94 3PX 0.09411 -0.34131 0.16204 -0.12604 -0.03473 95 3PY -0.72587 0.15680 0.02090 0.03516 -0.17332 96 3PZ -0.55429 -0.09807 -0.32387 0.00200 0.47675 97 4XX 0.01187 0.01187 -0.20110 0.28898 0.05512 98 4YY -0.36549 0.06421 -0.00141 0.24104 0.00370 99 4ZZ 0.34545 0.00601 0.07893 0.24876 -0.03947 100 4XY -0.04016 -0.02401 -0.06263 -0.00048 -0.00706 101 4XZ -0.11593 -0.00300 0.01300 0.02079 0.06529 102 4YZ 0.10513 0.03790 0.31218 -0.00157 -0.01861 103 13 H 1S -0.01121 -0.03977 0.04584 -0.01873 0.10045 104 2S 0.00849 -0.10159 -0.09741 -0.03421 -0.14493 105 14 H 1S -0.00175 0.03761 -0.01599 -0.02332 -0.01864 106 2S -0.00276 0.13844 -0.07828 0.11753 -0.05923 107 15 C 1S -0.01525 0.05489 -0.02323 -0.01573 -0.08208 108 2S -0.20053 0.14310 -0.05584 0.24600 0.76429 109 2PX -0.01469 0.40500 -0.06194 0.05274 0.15465 110 2PY 0.06650 0.23620 -0.04001 0.04202 -0.10402 111 2PZ -0.03079 -0.19924 0.03815 -0.00422 -0.06221 112 3S 1.13342 -2.85695 1.07733 -0.87217 -2.54154 113 3PX -0.19136 1.00628 -0.26758 0.33918 1.11947 114 3PY 0.48884 -0.28717 0.34334 0.07275 -0.49059 115 3PZ 0.48650 -1.49326 0.47311 -0.33684 -1.34411 116 4XX -0.03878 -0.30753 0.04763 -0.04328 -0.40193 117 4YY 0.12569 0.24438 -0.03998 -0.07620 -0.50161 118 4ZZ -0.00489 0.00985 -0.03502 -0.05259 -0.37198 119 4XY 0.02592 -0.44198 0.06515 0.08603 0.01233 120 4XZ -0.03184 0.47028 -0.07874 0.05442 0.12124 121 4YZ -0.01444 0.33474 -0.07155 -0.06476 -0.03989 122 16 H 1S 0.01783 -0.14802 0.05657 0.08758 0.06977 123 2S 0.14513 -0.20867 0.09798 -0.04080 -0.39954 124 17 C 1S 0.01519 -0.05503 0.02323 -0.01599 0.08375 125 2S 0.20128 -0.14412 0.05625 0.24820 -0.77625 126 2PX 0.01409 -0.40496 0.06189 0.05300 -0.15523 127 2PY 0.06660 0.23553 -0.04000 -0.04185 -0.10363 128 2PZ 0.03143 0.19929 -0.03812 -0.00454 0.06216 129 3S -1.13188 2.85878 -1.07752 -0.87360 2.53747 130 3PX 0.19077 -1.00634 0.26766 0.33995 -1.11871 131 3PY 0.49059 -0.28976 0.34466 -0.07239 -0.49338 132 3PZ -0.48522 1.49309 -0.47268 -0.33736 1.34266 133 4XX 0.03905 0.30805 -0.04784 -0.04457 0.40948 134 4YY -0.12605 -0.24568 0.04012 -0.07775 0.50804 135 4ZZ 0.00492 -0.00924 0.03485 -0.05368 0.37866 136 4XY 0.02536 -0.44088 0.06497 -0.08584 0.01256 137 4XZ 0.03107 -0.47136 0.07894 0.05432 -0.12132 138 4YZ -0.01467 0.33413 -0.07154 0.06438 -0.03948 139 18 H 1S -0.01806 0.14796 -0.05666 0.08760 -0.07057 140 2S -0.14513 0.20816 -0.09801 -0.04060 0.40038 141 19 O 1S 0.00778 0.00146 -0.00816 -0.38201 -0.40016 142 2S 0.14704 -0.40982 0.13677 -0.38911 -0.57624 143 2PX -0.00756 0.00757 0.00146 -0.05578 -0.07611 144 2PY 0.00940 0.02960 -0.00261 -0.13497 -0.17072 145 2PZ 0.00772 -0.00944 0.00616 0.02048 0.00402 146 3S -0.59175 1.45527 -0.41006 4.65110 5.24393 147 3PX -0.06355 1.36932 -0.28321 0.17976 0.81891 148 3PY -0.20443 -0.03277 -0.06817 0.95503 0.82612 149 3PZ -0.02774 -0.98163 0.16687 -0.01489 -0.39162 150 4XX -0.00184 0.49999 -0.12354 -1.23262 -1.20424 151 4YY -0.04046 -0.38691 0.02778 -1.13331 -1.25955 152 4ZZ 0.04642 0.13340 -0.04526 -1.29710 -1.35638 153 4XY 0.04359 0.42546 -0.07242 -0.03984 0.14541 154 4XZ 0.02134 -0.40001 0.06599 -0.08276 -0.23240 155 4YZ -0.07241 -0.38151 0.05809 0.08602 -0.07030 156 20 O 1S -0.00778 -0.00148 0.00815 -0.38243 0.39992 157 2S -0.14667 0.41036 -0.13678 -0.38963 0.57608 158 2PX 0.00768 -0.00731 -0.00149 -0.05585 0.07584 159 2PY 0.00956 0.02950 -0.00258 0.13507 -0.17057 160 2PZ -0.00772 0.00937 -0.00617 0.02071 -0.00400 161 3S 0.59089 -1.45568 0.41007 4.65601 -5.24092 162 3PX 0.06158 -1.37012 0.28336 0.18101 -0.81951 163 3PY -0.20503 -0.03508 -0.06777 -0.95565 0.82464 164 3PZ 0.02875 0.98114 -0.16686 -0.01716 0.39280 165 4XX 0.00119 -0.50080 0.12364 -1.23366 1.20262 166 4YY 0.04130 0.38836 -0.02806 -1.13443 1.25944 167 4ZZ -0.04691 -0.13411 0.04525 -1.29877 1.35521 168 4XY 0.04454 0.42450 -0.07230 0.03978 0.14555 169 4XZ -0.02067 0.40085 -0.06612 -0.08310 0.23321 170 4YZ -0.07303 -0.37990 0.05786 -0.08558 -0.07071 171 21 C 1S 0.00004 -0.00002 0.00000 -0.11845 -0.00038 172 2S -0.00022 -0.00001 -0.00003 0.95148 0.00182 173 2PX -0.00023 0.00009 -0.00003 -0.13757 -0.00004 174 2PY -0.14721 -0.36047 0.02400 -0.00011 0.06087 175 2PZ 0.00008 -0.00032 0.00001 0.11876 0.00021 176 3S -0.00146 0.00019 0.00003 -2.06040 0.00192 177 3PX 0.00006 0.00008 0.00015 -0.55642 0.00002 178 3PY -0.11067 -0.80262 0.11839 -0.00078 0.41054 179 3PZ 0.00031 -0.00096 0.00018 0.60132 -0.00001 180 4XX 0.00020 0.00001 -0.00001 -0.55717 -0.00134 181 4YY -0.00046 -0.00059 0.00007 -0.37547 -0.00160 182 4ZZ 0.00025 0.00049 -0.00006 -0.55294 -0.00122 183 4XY -0.09555 -0.36576 0.03359 -0.00002 -0.04189 184 4XZ 0.00002 -0.00042 0.00002 0.05093 -0.00020 185 4YZ 0.09443 0.34639 -0.03858 0.00012 0.11128 186 22 H 1S 0.00008 -0.00001 0.00002 0.22760 0.00009 187 2S 0.00023 -0.00010 0.00009 0.00603 -0.00049 188 23 H 1S -0.00001 0.00004 -0.00003 0.22974 0.00017 189 2S 0.00005 0.00009 -0.00003 -0.03663 -0.00036 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25201 4.26810 4.36205 4.37019 1 1 C 1S -0.10983 -0.06735 -0.02816 -0.12625 -0.19477 2 2S 0.69394 0.34221 0.06350 0.55555 0.68214 3 2PX 0.05165 -0.09105 0.03148 0.00700 0.09420 4 2PY 0.04700 -0.05468 0.00653 -0.02396 -0.04412 5 2PZ -0.00576 0.10244 -0.00144 0.01746 -0.02713 6 3S 0.24303 0.50291 0.05764 0.67332 1.50194 7 3PX 0.03828 0.16192 -0.10860 -0.07526 0.07937 8 3PY 0.00853 0.15532 0.10771 0.09922 0.70569 9 3PZ -0.03852 -0.19911 0.06614 -0.13901 0.01808 10 4XX -0.38275 -0.31891 -0.05049 -0.39937 -0.61662 11 4YY -0.43421 -0.27919 -0.10409 -0.49233 -0.60867 12 4ZZ -0.33132 -0.22041 -0.01432 -0.40408 -0.55289 13 4XY 0.03508 -0.07474 -0.01682 -0.03161 0.05340 14 4XZ -0.07374 0.04731 -0.02942 0.03659 -0.13741 15 4YZ 0.00676 0.09570 0.01755 0.00647 -0.01193 16 2 H 1S 0.06187 0.03227 0.03195 0.04736 0.07646 17 2S -0.09471 -0.01842 0.01538 -0.11243 0.06855 18 3 C 1S -0.19912 0.26111 -0.08434 -0.04464 -0.23407 19 2S 1.36213 -1.42437 0.52436 0.30526 1.44038 20 2PX 0.01088 -0.10545 0.01624 -0.01684 0.05115 21 2PY 0.05840 -0.05475 0.03027 -0.00735 -0.17057 22 2PZ 0.00883 0.06996 0.00820 0.04123 -0.00997 23 3S 0.34991 -1.13072 0.30705 -0.08122 0.43086 24 3PX 0.04552 0.24736 -0.00181 0.07825 0.22290 25 3PY -0.02365 0.03286 -0.08890 0.01352 0.12438 26 3PZ -0.07203 -0.16189 -0.04699 -0.08512 -0.35864 27 4XX -0.78792 1.01512 -0.31877 -0.14779 -0.89752 28 4YY -0.73525 0.88816 -0.30612 -0.15960 -1.13781 29 4ZZ -0.78876 1.02428 -0.33835 -0.17023 -0.89944 30 4XY -0.00331 0.02570 -0.00044 0.02800 -0.02927 31 4XZ 0.01772 -0.02808 0.01095 -0.00838 0.00789 32 4YZ -0.00156 -0.03129 -0.00867 -0.04183 -0.00265 33 4 H 1S 0.08716 -0.09953 0.02922 0.04011 0.06167 34 2S -0.18679 0.14619 -0.11998 -0.08944 -0.28268 35 5 C 1S -0.19896 0.26092 -0.08415 -0.04625 0.23405 36 2S 1.35795 -1.42324 0.52317 0.31517 -1.43990 37 2PX 0.01072 -0.10550 0.01628 -0.01651 -0.05147 38 2PY -0.05871 0.05463 -0.03044 0.00844 -0.17031 39 2PZ 0.00904 0.06994 0.00813 0.04116 0.01028 40 3S 0.36258 -1.12970 0.30597 -0.07975 -0.43395 41 3PX 0.04061 0.24742 -0.00202 0.08027 -0.22208 42 3PY 0.01795 -0.03240 0.09002 -0.01352 0.12323 43 3PZ -0.06807 -0.16151 -0.04683 -0.08809 0.35762 44 4XX -0.78631 1.01449 -0.31802 -0.15381 0.89796 45 4YY -0.73269 0.88715 -0.30523 -0.16761 1.13778 46 4ZZ -0.78759 1.02356 -0.33762 -0.17637 0.89952 47 4XY 0.00302 -0.02550 0.00040 -0.02781 -0.02996 48 4XZ 0.01704 -0.02815 0.01096 -0.00843 -0.00823 49 4YZ 0.00214 0.03095 0.00877 0.04188 -0.00175 50 6 H 1S 0.08720 -0.09945 0.02914 0.04051 -0.06145 51 2S -0.18472 0.14612 -0.11997 -0.09161 0.28225 52 7 C 1S -0.10997 -0.06749 -0.02798 -0.12782 0.19289 53 2S 0.69815 0.34300 0.06211 0.56097 -0.67237 54 2PX 0.05115 -0.09097 0.03143 0.00753 -0.09423 55 2PY -0.04684 0.05441 -0.00648 0.02435 -0.04381 56 2PZ -0.00540 0.10235 -0.00140 0.01727 0.02711 57 3S 0.23242 0.50292 0.05762 0.68614 -1.49086 58 3PX 0.03961 0.16180 -0.10925 -0.07483 -0.08092 59 3PY -0.00151 -0.15468 -0.10843 -0.10525 0.70419 60 3PZ -0.04047 -0.19947 0.06666 -0.13901 -0.01761 61 4XX -0.38459 -0.31962 -0.04977 -0.40440 0.60964 62 4YY -0.43572 -0.27928 -0.10323 -0.49714 0.60157 63 4ZZ -0.33300 -0.22117 -0.01350 -0.40851 0.54580 64 4XY -0.03486 0.07455 0.01694 0.03120 0.05364 65 4XZ -0.07285 0.04760 -0.02934 0.03568 0.13803 66 4YZ -0.00697 -0.09557 -0.01792 -0.00661 -0.01165 67 8 H 1S 0.06192 0.03232 0.03186 0.04796 -0.07599 68 2S -0.09676 -0.01858 0.01577 -0.11158 -0.07006 69 9 C 1S -0.14569 -0.21543 -0.11499 -0.13224 0.11898 70 2S 0.90769 1.08753 0.64891 0.60889 -0.81956 71 2PX 0.00357 -0.01854 0.01035 0.04729 -0.01329 72 2PY -0.02235 -0.00014 -0.01534 0.01505 -0.03969 73 2PZ -0.01955 0.03379 0.03520 0.03770 -0.02207 74 3S 0.49101 0.94683 0.35389 0.53352 0.07862 75 3PX -0.01740 0.02366 -0.07066 -0.18654 0.21741 76 3PY 0.06694 0.06715 0.01882 0.02723 -0.13357 77 3PZ 0.08385 -0.04627 0.02170 -0.07301 -0.30270 78 4XX -0.57880 -0.82272 -0.44263 -0.48644 0.48289 79 4YY -0.50051 -0.70312 -0.39517 -0.42889 0.56183 80 4ZZ -0.56874 -0.80088 -0.46480 -0.45775 0.46887 81 4XY 0.00703 -0.00236 -0.00013 -0.00624 -0.01886 82 4XZ -0.00304 -0.01463 0.01217 -0.01372 0.02747 83 4YZ -0.01479 -0.01435 -0.00116 -0.04852 0.03747 84 10 H 1S 0.05464 0.05954 0.04202 0.05753 -0.08164 85 2S -0.17644 -0.22825 -0.07726 -0.01627 0.14899 86 11 H 1S 0.06146 0.06896 0.03415 0.02847 -0.03710 87 2S -0.18135 -0.21773 -0.14873 -0.26837 0.21321 88 12 C 1S -0.14559 -0.21547 -0.11489 -0.13117 -0.11933 89 2S 0.90836 1.08820 0.64780 0.60160 0.82053 90 2PX 0.00319 -0.01855 0.01044 0.04723 0.01381 91 2PY 0.02254 0.00010 0.01530 -0.01474 -0.03992 92 2PZ -0.01928 0.03377 0.03520 0.03750 0.02207 93 3S 0.48384 0.94644 0.35454 0.53389 -0.07876 94 3PX -0.01724 0.02332 -0.07127 -0.18492 -0.21955 95 3PY -0.06846 -0.06750 -0.01893 -0.02615 -0.13403 96 3PZ 0.08809 -0.04587 0.02072 -0.07597 0.30239 97 4XX -0.57837 -0.82293 -0.44215 -0.48203 -0.48394 98 4YY -0.50072 -0.70343 -0.39459 -0.42399 -0.56294 99 4ZZ -0.56915 -0.80125 -0.46418 -0.45350 -0.46936 100 4XY -0.00715 0.00232 0.00010 0.00637 -0.01885 101 4XZ -0.00248 -0.01459 0.01203 -0.01365 -0.02772 102 4YZ 0.01472 0.01452 0.00135 0.04824 0.03793 103 13 H 1S 0.06244 0.06900 0.03393 0.02807 0.03721 104 2S -0.18264 -0.21814 -0.14878 -0.26663 -0.21490 105 14 H 1S 0.05434 0.05964 0.04207 0.05692 0.08194 106 2S -0.17714 -0.22842 -0.07689 -0.01491 -0.14828 107 15 C 1S -0.19179 -0.07323 0.14505 0.25635 -0.11691 108 2S 1.23461 0.54395 -0.63341 -1.31406 0.92265 109 2PX 0.05298 0.01542 -0.00530 -0.01112 0.03729 110 2PY 0.06921 0.06621 0.00615 -0.03741 -0.08672 111 2PZ -0.03611 -0.00415 0.04882 0.08660 -0.03171 112 3S 0.45545 -0.12378 -0.41211 -1.24108 0.31022 113 3PX -0.04651 0.27479 -0.01836 -0.01872 -0.32879 114 3PY -0.04001 -0.04755 -0.18506 0.09238 -0.03727 115 3PZ -0.00887 -0.29418 -0.16561 -0.24557 -0.02458 116 4XX -0.77909 -0.32441 0.50667 0.99997 -0.55559 117 4YY -0.69452 -0.27607 0.44692 0.87600 -0.63706 118 4ZZ -0.76469 -0.32162 0.52685 0.98474 -0.51567 119 4XY -0.01163 -0.00361 0.02668 0.05002 -0.03197 120 4XZ 0.01833 0.06150 0.00867 -0.06510 0.00571 121 4YZ -0.00499 0.02036 0.00685 0.00376 -0.00804 122 16 H 1S 0.09985 0.01262 -0.08133 -0.07125 0.08952 123 2S -0.18895 -0.17326 0.01657 0.20867 -0.13610 124 17 C 1S -0.19079 -0.07299 0.14497 0.25521 0.11901 125 2S 1.22566 0.54229 -0.63302 -1.30514 -0.93290 126 2PX 0.05133 0.01525 -0.00529 -0.01084 -0.03721 127 2PY -0.07029 -0.06638 -0.00623 0.03804 -0.08640 128 2PZ -0.03559 -0.00415 0.04874 0.08627 0.03212 129 3S 0.47919 -0.12278 -0.41107 -1.23741 -0.32219 130 3PX -0.05727 0.27355 -0.01885 -0.02166 0.32903 131 3PY 0.03545 0.04779 0.18455 -0.09184 -0.03921 132 3PZ 0.00426 -0.29327 -0.16519 -0.24572 0.02248 133 4XX -0.77426 -0.32338 0.50629 0.99447 0.56366 134 4YY -0.68854 -0.27473 0.44665 0.86976 0.64418 135 4ZZ -0.76025 -0.32074 0.52653 0.97972 0.52356 136 4XY 0.01177 0.00346 -0.02674 -0.04968 -0.03243 137 4XZ 0.01704 0.06130 0.00863 -0.06508 -0.00616 138 4YZ 0.00486 -0.02022 -0.00708 -0.00422 -0.00775 139 18 H 1S 0.09905 0.01258 -0.08136 -0.07059 -0.08968 140 2S -0.18494 -0.17292 0.01688 0.20748 0.13836 141 19 O 1S -0.02082 -0.09710 0.06209 -0.11378 0.05468 142 2S -0.04480 -0.20547 -0.03615 -0.09117 0.03403 143 2PX 0.03414 0.00233 -0.04233 -0.04621 0.02245 144 2PY -0.00434 -0.02751 0.05064 -0.07993 0.03073 145 2PZ -0.03323 -0.00127 0.03430 0.01611 -0.02028 146 3S 0.30180 1.48043 -0.67395 1.52886 -0.67745 147 3PX 0.02516 0.14866 -0.04649 0.11350 0.04146 148 3PY 0.10809 0.36511 0.07393 0.10098 -0.05996 149 3PZ 0.01666 -0.05689 0.08287 0.00395 0.00955 150 4XX -0.00972 -0.26659 0.16917 -0.44152 0.23039 151 4YY -0.07687 -0.25409 0.41429 -0.46551 0.18652 152 4ZZ -0.04149 -0.31372 0.17559 -0.43640 0.19694 153 4XY 0.05022 0.01910 -0.14329 0.01982 0.03246 154 4XZ -0.06994 -0.07575 -0.01366 0.13484 -0.04323 155 4YZ -0.02863 0.01129 0.14899 -0.02468 -0.02485 156 20 O 1S -0.01713 -0.09691 0.06208 -0.11314 -0.05584 157 2S -0.03924 -0.20505 -0.03609 -0.09060 -0.03515 158 2PX 0.03481 0.00229 -0.04231 -0.04588 -0.02294 159 2PY 0.00290 0.02746 -0.05078 0.07951 0.03133 160 2PZ -0.03320 -0.00116 0.03419 0.01598 0.02053 161 3S 0.25263 1.47748 -0.67411 1.52097 0.69301 162 3PX 0.01708 0.14816 -0.04649 0.11376 -0.03985 163 3PY -0.10030 -0.36441 -0.07412 -0.10019 -0.06103 164 3PZ 0.02039 -0.05710 0.08274 0.00375 -0.01015 165 4XX 0.00131 -0.26606 0.16910 -0.43902 -0.23464 166 4YY -0.06541 -0.25350 0.41490 -0.46341 -0.19091 167 4ZZ -0.02896 -0.31324 0.17516 -0.43395 -0.20134 168 4XY -0.04864 -0.01882 0.14325 -0.02035 0.03230 169 4XZ -0.06773 -0.07553 -0.01342 0.13436 0.04422 170 4YZ 0.02778 -0.01130 -0.14847 0.02497 -0.02470 171 21 C 1S 0.06725 -0.05224 -0.40603 0.21147 0.00071 172 2S -0.25836 0.36783 2.24895 -1.34934 -0.00469 173 2PX -0.00838 -0.05104 -0.11174 0.04493 0.00008 174 2PY 0.00030 -0.00003 -0.00015 0.00007 0.00150 175 2PZ 0.00503 0.06337 0.10709 -0.04131 -0.00016 176 3S -0.67836 -0.51437 2.05237 -1.32804 -0.00500 177 3PX -0.13180 -0.20288 0.09275 0.02958 0.00022 178 3PY 0.00170 -0.00013 -0.00002 0.00086 -0.14474 179 3PZ 0.09216 0.13840 -0.02563 -0.04806 0.00005 180 4XX 0.21283 -0.22248 -1.53791 0.88444 0.00298 181 4YY 0.23202 -0.21084 -1.73878 0.98664 0.00353 182 4ZZ 0.22393 -0.24172 -1.56258 0.85045 0.00288 183 4XY -0.00021 -0.00004 -0.00004 0.00004 0.00712 184 4XZ 0.03894 0.03603 0.03276 -0.07873 -0.00030 185 4YZ 0.00051 0.00006 -0.00016 0.00019 -0.00641 186 22 H 1S 0.00426 0.05862 0.08718 -0.02327 0.00001 187 2S 0.07089 -0.04017 -0.42386 0.27725 0.00110 188 23 H 1S 0.00033 0.06927 0.08071 -0.02109 -0.00005 189 2S 0.12994 0.03797 -0.44936 0.33229 0.00096 186 187 188 189 V V V V Eigenvalues -- 4.44855 4.48935 4.64964 4.87450 1 1 C 1S -0.30986 -0.01711 0.06294 0.39735 2 2S 1.68079 0.20565 -0.63357 -0.87018 3 2PX -0.01720 -0.06181 0.02313 -0.03955 4 2PY -0.09749 -0.04315 0.02355 0.23832 5 2PZ 0.00173 0.06094 -0.02857 -0.00257 6 3S 2.08208 0.17730 -0.58060 -5.57588 7 3PX -0.10501 0.23122 -0.07536 0.02294 8 3PY 0.20599 0.16608 -0.01737 -2.17214 9 3PZ 0.09638 -0.15285 -0.18191 -0.16828 10 4XX -1.20437 -0.20500 0.35074 1.24908 11 4YY -1.18827 -0.11023 0.29584 1.23902 12 4ZZ -1.30292 -0.05836 0.44183 1.26383 13 4XY -0.03541 -0.04979 -0.04072 0.05462 14 4XZ 0.10844 0.04950 -0.03879 -0.08137 15 4YZ -0.01107 0.09005 0.02040 -0.02984 16 2 H 1S 0.05468 0.03336 -0.00479 -0.08324 17 2S -0.29974 0.04658 0.07234 -0.13465 18 3 C 1S 0.04368 0.24195 -0.03734 -0.11030 19 2S -0.21678 -1.18922 0.29987 0.33685 20 2PX -0.09779 -0.08921 0.01809 0.05855 21 2PY -0.07983 0.11213 -0.02025 0.02668 22 2PZ 0.08321 0.06546 -0.01295 -0.07680 23 3S -0.60112 -2.23612 0.13766 3.99706 24 3PX 0.15537 0.42175 0.08817 -1.25081 25 3PY 0.05234 -0.47896 -0.09197 0.81288 26 3PZ -0.11904 -0.33634 -0.07170 1.24817 27 4XX 0.22213 0.88134 -0.17557 -0.40044 28 4YY 0.18793 1.09582 -0.25482 -0.47370 29 4ZZ 0.22787 0.90262 -0.16762 -0.40668 30 4XY 0.10539 0.05568 -0.05215 -0.12980 31 4XZ -0.07629 -0.02417 0.04109 0.07567 32 4YZ -0.07657 -0.05235 -0.00138 0.11048 33 4 H 1S 0.00513 -0.07278 0.00567 0.04275 34 2S 0.02462 0.06603 -0.11373 0.30481 35 5 C 1S 0.04196 -0.24241 0.03738 0.11014 36 2S -0.20774 1.19131 -0.30005 -0.33632 37 2PX -0.09738 0.08966 -0.01821 -0.05847 38 2PY 0.08059 0.11205 -0.02017 0.02645 39 2PZ 0.08299 -0.06561 0.01304 0.07654 40 3S -0.59012 2.23931 -0.13934 -3.99499 41 3PX 0.15445 -0.42234 -0.08778 1.25002 42 3PY -0.05482 -0.47998 -0.09274 0.81612 43 3PZ -0.11860 0.33623 0.07154 -1.24558 44 4XX 0.21620 -0.88332 0.17586 0.40005 45 4YY 0.17936 -1.09724 0.25486 0.47254 46 4ZZ 0.22161 -0.90471 0.16804 0.40649 47 4XY -0.10483 0.05624 -0.05235 -0.12983 48 4XZ -0.07650 0.02462 -0.04134 -0.07594 49 4YZ 0.07617 -0.05291 -0.00114 0.11042 50 6 H 1S 0.00562 0.07295 -0.00559 -0.04264 51 2S 0.02357 -0.06624 0.11401 -0.30465 52 7 C 1S -0.31056 0.01823 -0.06363 -0.39726 53 2S 1.68186 -0.21206 0.63725 0.86870 54 2PX -0.01677 0.06182 -0.02294 0.03898 55 2PY 0.09738 -0.04336 0.02361 0.23814 56 2PZ 0.00159 -0.06097 0.02885 0.00259 57 3S 2.08716 -0.18507 0.58475 5.57601 58 3PX -0.10587 -0.23120 0.07583 -0.02150 59 3PY -0.20727 0.16637 -0.01727 -2.17101 60 3PZ 0.09618 0.15202 0.18147 0.16521 61 4XX -1.20586 0.20989 -0.35363 -1.24785 62 4YY -1.19015 0.11431 -0.29858 -1.23866 63 4ZZ -1.30443 0.06335 -0.44455 -1.26317 64 4XY 0.03509 -0.04980 -0.04076 0.05439 65 4XZ 0.10772 -0.05005 0.03862 0.08167 66 4YZ 0.01176 0.09012 0.02076 -0.02977 67 8 H 1S 0.05469 -0.03362 0.00484 0.08316 68 2S -0.30014 -0.04536 -0.07341 0.13388 69 9 C 1S 0.16785 0.21022 0.29801 0.02099 70 2S -0.86667 -1.00615 -1.24126 -0.07119 71 2PX 0.01017 0.02448 -0.02144 0.03677 72 2PY 0.02364 -0.03247 -0.02916 0.01341 73 2PZ -0.07686 -0.03349 -0.10528 0.09493 74 3S -1.27614 -1.68993 -2.92649 -2.19363 75 3PX -0.00849 -0.11127 0.25122 -0.69923 76 3PY -0.12550 0.16563 0.45965 0.12892 77 3PZ 0.23347 0.09152 0.39031 0.65246 78 4XX 0.64143 0.75500 1.00265 0.04221 79 4YY 0.57600 0.86570 1.18774 0.08410 80 4ZZ 0.75124 0.73979 1.07471 0.10603 81 4XY 0.02907 0.02884 0.00096 0.03446 82 4XZ -0.05146 0.00100 -0.01520 -0.05011 83 4YZ -0.09822 -0.01025 -0.07548 -0.09363 84 10 H 1S -0.01376 0.00443 -0.00312 0.14582 85 2S 0.13811 0.27327 0.14870 0.16916 86 11 H 1S -0.01865 -0.00392 0.06360 0.04790 87 2S 0.21736 0.17438 0.41176 -0.18153 88 12 C 1S 0.16803 -0.21083 -0.29777 -0.02110 89 2S -0.86817 1.00910 1.24022 0.07140 90 2PX 0.01010 -0.02441 0.02136 -0.03689 91 2PY -0.02340 -0.03248 -0.02931 0.01347 92 2PZ -0.07707 0.03364 0.10507 -0.09477 93 3S -1.27471 1.69533 2.92478 2.19424 94 3PX -0.00759 0.11081 -0.25108 0.70054 95 3PY 0.12494 0.16512 0.46028 0.13091 96 3PZ 0.23289 -0.09219 -0.38928 -0.65236 97 4XX 0.64233 -0.75737 -1.00176 -0.04258 98 4YY 0.57668 -0.86767 -1.18675 -0.08423 99 4ZZ 0.75222 -0.74245 -1.07389 -0.10660 100 4XY -0.02888 0.02902 0.00101 0.03459 101 4XZ -0.05168 -0.00074 0.01514 0.05019 102 4YZ 0.09783 -0.01081 -0.07548 -0.09369 103 13 H 1S -0.01873 0.00393 -0.06362 -0.04799 104 2S 0.21794 -0.17563 -0.41144 0.18228 105 14 H 1S -0.01399 -0.00434 0.00313 -0.14579 106 2S 0.13776 -0.27362 -0.14864 -0.16927 107 15 C 1S 0.00587 -0.17809 0.24152 -0.21122 108 2S 0.16715 0.98003 -0.91627 0.15213 109 2PX 0.00836 0.01937 0.00516 -0.08710 110 2PY -0.00357 -0.09664 0.10304 -0.04898 111 2PZ -0.01522 -0.02688 0.11084 -0.04977 112 3S -0.34256 1.01517 -3.28266 5.19033 113 3PX -0.09395 0.41293 0.36026 -0.33783 114 3PY 0.12836 0.07980 -1.05888 1.23387 115 3PZ -0.04708 -0.34421 -0.93992 1.67803 116 4XX -0.07729 -0.72181 0.85698 -0.48352 117 4YY -0.01930 -0.84981 0.97489 -0.67513 118 4ZZ -0.02316 -0.68587 0.83918 -0.56682 119 4XY 0.01690 -0.02079 -0.00861 0.00891 120 4XZ -0.01677 0.07020 0.00940 -0.01523 121 4YZ 0.00904 0.04262 -0.04789 0.04238 122 16 H 1S 0.03097 -0.03389 -0.07916 -0.01554 123 2S 0.07532 -0.31696 -0.14451 0.19396 124 17 C 1S 0.00677 0.17860 -0.24171 0.21151 125 2S 0.16341 -0.98296 0.91728 -0.15182 126 2PX 0.00794 -0.01937 -0.00526 0.08685 127 2PY 0.00317 -0.09665 0.10308 -0.04931 128 2PZ -0.01501 0.02670 -0.11066 0.04971 129 3S -0.34922 -1.01724 3.28403 -5.19329 130 3PX -0.09730 -0.41247 -0.36051 0.33752 131 3PY -0.12688 0.07923 -1.05999 1.23769 132 3PZ -0.04634 0.34444 0.93739 -1.67613 133 4XX -0.07415 0.72408 -0.85772 0.48358 134 4YY -0.01544 0.85145 -0.97539 0.67546 135 4ZZ -0.02007 0.68797 -0.84012 0.56789 136 4XY -0.01698 -0.02053 -0.00857 0.00879 137 4XZ -0.01731 -0.07025 -0.00948 0.01504 138 4YZ -0.00882 0.04310 -0.04823 0.04252 139 18 H 1S 0.03116 0.03380 0.07905 0.01522 140 2S 0.07637 0.31730 0.14375 -0.19354 141 19 O 1S 0.02224 0.02117 -0.07039 0.15858 142 2S 0.01357 -0.04399 -0.12983 0.41043 143 2PX -0.00747 0.03173 -0.02758 0.06403 144 2PY 0.01800 0.02821 -0.03200 0.06993 145 2PZ 0.01785 -0.00968 0.01485 -0.00944 146 3S -0.29836 -0.07440 1.41285 -3.01500 147 3PX 0.05760 0.15153 0.21123 -0.68370 148 3PY -0.08025 0.00457 0.18140 -0.45774 149 3PZ -0.09272 -0.14388 -0.03781 0.20483 150 4XX 0.09165 0.15297 -0.24655 0.44278 151 4YY 0.09673 0.07874 -0.24775 0.51744 152 4ZZ 0.06763 0.10267 -0.25717 0.55335 153 4XY -0.02017 0.06400 -0.02911 -0.03263 154 4XZ -0.02604 -0.09090 0.09137 0.00218 155 4YZ 0.01570 -0.05795 0.02231 -0.00442 156 20 O 1S 0.02252 -0.02144 0.07053 -0.15851 157 2S 0.01434 0.04369 0.12995 -0.41031 158 2PX -0.00745 -0.03177 0.02760 -0.06400 159 2PY -0.01811 0.02833 -0.03197 0.06991 160 2PZ 0.01782 0.00971 -0.01488 0.00953 161 3S -0.30247 0.07823 -1.41489 3.01393 162 3PX 0.05642 -0.15160 -0.21150 0.68383 163 3PY 0.08113 0.00360 0.18122 -0.45712 164 3PZ -0.09153 0.14398 0.03816 -0.20550 165 4XX 0.09215 -0.15416 0.24704 -0.44250 166 4YY 0.09769 -0.07943 0.24832 -0.51708 167 4ZZ 0.06845 -0.10374 0.25770 -0.55317 168 4XY 0.02060 0.06389 -0.02889 -0.03261 169 4XZ -0.02537 0.09120 -0.09147 -0.00226 170 4YZ -0.01595 -0.05789 0.02231 -0.00452 171 21 C 1S -0.08857 0.00012 -0.00017 -0.00005 172 2S 0.39730 -0.00070 0.00066 0.00006 173 2PX -0.04050 0.00002 -0.00006 -0.00009 174 2PY -0.00002 -0.01240 0.02390 -0.07387 175 2PZ -0.00768 0.00004 0.00007 -0.00010 176 3S 0.79261 -0.00154 0.00152 0.00043 177 3PX 0.21507 -0.00026 0.00032 0.00046 178 3PY -0.00009 -0.15136 0.07408 -0.10257 179 3PZ 0.06633 -0.00021 -0.00023 0.00032 180 4XX -0.33185 0.00051 -0.00061 -0.00008 181 4YY -0.33321 0.00053 -0.00070 -0.00013 182 4ZZ -0.31748 0.00046 -0.00051 -0.00025 183 4XY -0.00003 -0.01474 -0.01886 -0.00686 184 4XZ -0.00224 -0.00006 -0.00005 0.00001 185 4YZ 0.00003 -0.00055 0.02225 -0.04358 186 22 H 1S 0.02024 0.00002 0.00001 0.00003 187 2S -0.02661 0.00009 -0.00016 0.00022 188 23 H 1S -0.02601 0.00006 -0.00004 -0.00005 189 2S -0.23872 0.00043 -0.00013 -0.00043 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05498 2 2S -0.06133 0.32634 3 2PX -0.00315 0.00482 0.35439 4 2PY 0.00191 0.00377 0.02302 0.41152 5 2PZ 0.00214 0.00093 -0.03997 0.00391 0.38402 6 3S -0.19776 0.29063 -0.01217 -0.00350 -0.02805 7 3PX 0.00757 -0.01602 0.19643 -0.01983 0.03221 8 3PY -0.00757 -0.00823 0.00466 0.13003 -0.01762 9 3PZ 0.00296 -0.00461 0.04860 -0.01432 0.17018 10 4XX -0.01132 -0.01297 0.00888 0.00493 -0.00135 11 4YY -0.01838 0.00158 -0.00427 -0.02195 -0.00257 12 4ZZ -0.01398 -0.00730 -0.00781 0.01078 0.00472 13 4XY -0.00161 0.00345 0.00763 -0.00003 -0.00416 14 4XZ 0.00249 -0.00560 -0.00452 -0.00528 0.00114 15 4YZ -0.00081 0.00154 -0.00335 -0.00235 0.01081 16 2 H 1S -0.05969 0.11295 -0.02932 -0.26414 -0.02290 17 2S -0.01311 0.02598 -0.00919 -0.24492 -0.02223 18 3 C 1S 0.01789 -0.03385 -0.05511 -0.03913 0.04363 19 2S -0.03603 0.06177 0.11742 0.07561 -0.08978 20 2PX 0.05987 -0.12157 0.00739 -0.13800 0.21162 21 2PY 0.03628 -0.07550 -0.13538 -0.05099 0.08023 22 2PZ -0.04302 0.08350 0.24245 0.06417 -0.01509 23 3S 0.01165 0.01684 0.04567 0.10489 -0.05010 24 3PX 0.00738 -0.03360 0.07543 -0.06149 0.08995 25 3PY 0.00605 -0.00952 -0.09240 0.00958 0.03207 26 3PZ 0.00474 0.00617 0.09978 0.00565 0.03879 27 4XX -0.00160 0.00277 -0.00837 0.00424 -0.00519 28 4YY 0.00117 -0.00342 -0.00217 -0.01332 0.00244 29 4ZZ -0.00024 0.00007 0.00219 0.00189 0.01018 30 4XY -0.00374 0.00672 0.00235 -0.00160 -0.00839 31 4XZ 0.00329 -0.00636 -0.00294 -0.00725 -0.00074 32 4YZ 0.00332 -0.00627 -0.00858 0.00160 0.00096 33 4 H 1S 0.01338 -0.02791 -0.03269 -0.00426 0.03215 34 2S 0.01888 -0.03229 -0.07740 0.00132 0.06795 35 5 C 1S -0.00340 0.00823 0.00831 0.01168 -0.00445 36 2S 0.00831 -0.01880 -0.02653 -0.02677 0.01367 37 2PX -0.00082 0.00171 -0.00642 0.00246 -0.02038 38 2PY -0.01225 0.03291 0.03167 0.03378 -0.01504 39 2PZ 0.00586 -0.01499 -0.02710 -0.00708 -0.00553 40 3S -0.00302 -0.01978 0.05045 -0.09129 -0.01054 41 3PX 0.00672 -0.00624 -0.04994 0.00080 -0.00964 42 3PY -0.00509 0.01885 -0.02134 0.05080 -0.00760 43 3PZ -0.00511 -0.00130 0.00963 0.00114 -0.02947 44 4XX 0.00018 -0.00040 0.00314 -0.00097 0.00188 45 4YY -0.00097 0.00214 0.00148 0.00423 -0.00325 46 4ZZ -0.00025 0.00079 -0.00076 0.00076 -0.00147 47 4XY -0.00180 0.00376 -0.00179 0.00592 -0.00818 48 4XZ 0.00008 -0.00016 -0.00173 0.00002 0.00048 49 4YZ 0.00116 -0.00224 -0.01076 -0.00219 -0.00079 50 6 H 1S -0.00753 0.01708 0.03029 0.01514 -0.01497 51 2S -0.01234 0.02411 0.06560 0.03050 -0.02982 52 7 C 1S -0.00468 0.00678 -0.00446 0.01024 -0.00219 53 2S 0.00678 -0.01943 0.01500 -0.02847 0.00307 54 2PX -0.00441 0.01487 -0.09411 0.02682 -0.03861 55 2PY -0.01024 0.02845 -0.02693 0.03619 -0.01446 56 2PZ -0.00218 0.00305 -0.03869 0.01458 -0.06997 57 3S 0.02824 -0.03181 -0.02292 -0.03188 0.02406 58 3PX -0.00344 0.01212 -0.08557 0.02902 -0.03404 59 3PY -0.01060 0.00749 0.01958 -0.01164 -0.01756 60 3PZ -0.00233 0.00642 -0.04464 0.01710 -0.05608 61 4XX -0.00045 -0.00046 -0.00092 -0.00052 -0.00105 62 4YY -0.00084 0.00068 -0.00196 0.00122 -0.00054 63 4ZZ -0.00046 0.00014 0.00232 -0.00074 0.00066 64 4XY -0.00044 0.00070 0.00076 0.00097 -0.00145 65 4XZ -0.00005 -0.00038 0.00002 -0.00024 -0.00003 66 4YZ -0.00001 0.00005 -0.00161 0.00042 0.00128 67 8 H 1S -0.00252 0.00795 -0.01090 0.00925 -0.00291 68 2S -0.00361 0.01395 -0.03440 0.02542 -0.00581 69 9 C 1S -0.00202 0.00420 -0.00310 0.00913 0.00490 70 2S 0.00459 -0.00918 0.00432 -0.01812 -0.01665 71 2PX 0.00180 -0.00338 0.00565 -0.00362 -0.00162 72 2PY -0.01024 0.02611 -0.00238 0.03525 0.03068 73 2PZ -0.00337 0.01376 -0.00369 0.00755 0.02390 74 3S -0.00081 -0.01381 0.04775 -0.07648 0.00214 75 3PX -0.00043 -0.00408 0.00899 -0.00860 0.00185 76 3PY -0.00686 0.01928 -0.00925 0.05185 0.01858 77 3PZ 0.00015 0.00718 -0.01329 0.00335 0.01589 78 4XX -0.00043 0.00104 -0.00159 0.00085 -0.00002 79 4YY -0.00056 0.00087 -0.00257 0.00191 0.00052 80 4ZZ 0.00017 -0.00091 0.00294 -0.00150 0.00092 81 4XY 0.00034 -0.00060 -0.00054 -0.00070 -0.00295 82 4XZ 0.00007 -0.00013 0.00227 -0.00069 0.00231 83 4YZ -0.00151 0.00341 -0.00258 0.00453 0.00723 84 10 H 1S -0.00193 0.00809 0.00892 0.00397 0.02440 85 2S -0.00257 0.00828 0.01196 0.01242 0.03381 86 11 H 1S -0.00422 0.01110 -0.01223 0.01108 0.01097 87 2S -0.00628 0.01442 -0.02774 0.02015 0.01343 88 12 C 1S 0.01252 -0.02297 0.02146 -0.02951 -0.05187 89 2S -0.02336 0.03914 -0.04305 0.05537 0.10801 90 2PX -0.01712 0.03382 0.00045 0.02747 0.08319 91 2PY 0.02344 -0.04856 0.02052 -0.03134 -0.11020 92 2PZ 0.06433 -0.13744 0.10122 -0.12184 -0.23465 93 3S 0.00257 0.02397 -0.09371 0.11170 0.08691 94 3PX -0.00271 0.01331 -0.00006 0.01602 0.03744 95 3PY 0.00570 -0.01143 0.01354 0.00271 -0.05327 96 3PZ 0.01310 -0.04404 0.04357 -0.05761 -0.11722 97 4XX 0.00196 -0.00450 0.00736 -0.00166 -0.00375 98 4YY 0.00081 -0.00224 0.00073 -0.00982 -0.00227 99 4ZZ -0.00457 0.00848 -0.00575 0.00738 0.00104 100 4XY 0.00115 -0.00204 -0.00142 0.00104 -0.00361 101 4XZ 0.00265 -0.00525 -0.00784 -0.00344 -0.00573 102 4YZ -0.00409 0.00766 -0.00392 -0.00344 0.00868 103 13 H 1S 0.00809 -0.01963 0.02500 -0.00181 -0.02345 104 2S 0.01421 -0.02687 0.08203 -0.01214 -0.02896 105 14 H 1S 0.00809 -0.02346 0.00303 -0.00512 -0.02614 106 2S 0.01254 -0.02987 -0.00774 -0.01025 -0.05904 107 15 C 1S -0.00195 0.00260 0.00840 -0.00426 0.00242 108 2S 0.00085 -0.01172 -0.01017 0.00285 -0.00667 109 2PX -0.00436 0.00249 -0.10001 0.03471 -0.05642 110 2PY -0.00057 0.00519 0.02522 -0.01766 0.00963 111 2PZ -0.00770 0.01088 -0.08812 0.02312 -0.05943 112 3S 0.01939 -0.00896 -0.03365 0.03749 0.01778 113 3PX 0.00116 -0.00241 -0.06900 0.02651 -0.05822 114 3PY 0.00041 0.00592 0.01878 0.00962 0.01996 115 3PZ 0.00289 0.00279 -0.07199 0.01845 -0.02547 116 4XX -0.00166 0.00290 -0.00639 0.00236 -0.00505 117 4YY -0.00015 -0.00072 0.00199 -0.00233 0.00113 118 4ZZ 0.00005 -0.00094 0.00300 -0.00032 0.00307 119 4XY 0.00065 -0.00175 0.00231 0.00081 0.00134 120 4XZ -0.00087 0.00214 -0.00443 0.00155 -0.00101 121 4YZ 0.00069 -0.00188 0.00160 0.00050 0.00103 122 16 H 1S 0.00599 -0.01490 0.02502 -0.00208 0.02145 123 2S 0.00672 -0.01321 0.02729 -0.00710 0.02813 124 17 C 1S -0.00096 0.00324 -0.00344 0.00440 -0.00065 125 2S 0.00309 -0.00397 0.00798 -0.00649 0.00420 126 2PX 0.00601 -0.01967 0.00550 -0.00668 0.00166 127 2PY -0.00166 0.00256 -0.02185 0.01609 -0.01215 128 2PZ 0.00541 -0.01604 0.01138 -0.00644 0.00571 129 3S -0.00391 -0.01546 0.01236 -0.04100 -0.01993 130 3PX 0.00524 -0.01579 0.01442 -0.00809 0.01697 131 3PY 0.00344 -0.00095 -0.00305 0.01498 0.01065 132 3PZ 0.00094 -0.01382 0.02188 -0.00939 -0.00460 133 4XX -0.00015 0.00009 0.00101 0.00028 0.00082 134 4YY 0.00008 -0.00001 -0.00030 -0.00009 -0.00049 135 4ZZ -0.00011 0.00080 -0.00015 0.00084 0.00001 136 4XY 0.00037 -0.00017 0.00560 -0.00230 0.00325 137 4XZ 0.00016 -0.00052 0.00163 -0.00076 0.00149 138 4YZ 0.00043 -0.00030 0.00505 -0.00154 0.00330 139 18 H 1S -0.00217 0.00569 -0.01890 0.00821 -0.01270 140 2S -0.00428 0.00821 -0.02248 0.01243 -0.02171 141 19 O 1S -0.00006 0.00124 -0.00403 0.00015 0.00063 142 2S 0.00144 -0.00356 0.00920 -0.00011 0.00159 143 2PX 0.00870 -0.01380 0.06019 -0.01145 0.01993 144 2PY -0.00185 0.00158 -0.00863 -0.00099 -0.00436 145 2PZ 0.00814 -0.00917 0.05237 -0.01314 0.02775 146 3S -0.00561 -0.00091 0.01761 -0.00056 -0.01788 147 3PX 0.00391 -0.00999 0.05170 -0.01068 0.01447 148 3PY -0.00167 0.00082 -0.00517 -0.00135 -0.00724 149 3PZ 0.00723 -0.00760 0.04916 -0.01411 0.03125 150 4XX 0.00025 -0.00022 -0.00249 0.00102 -0.00083 151 4YY 0.00041 0.00028 -0.00014 -0.00053 0.00077 152 4ZZ 0.00077 -0.00013 0.00221 -0.00025 0.00242 153 4XY 0.00030 -0.00069 0.00263 -0.00048 0.00036 154 4XZ -0.00009 0.00043 -0.00077 0.00003 -0.00006 155 4YZ 0.00035 -0.00059 0.00103 0.00015 0.00079 156 20 O 1S -0.00022 -0.00083 0.00029 -0.00057 -0.00037 157 2S -0.00032 0.00189 -0.00260 0.00159 -0.00240 158 2PX -0.00195 0.01051 -0.00513 0.00636 -0.00385 159 2PY 0.00012 -0.00069 0.00505 -0.00591 0.00206 160 2PZ -0.00038 0.00617 0.01084 -0.00505 0.00364 161 3S 0.00417 0.00261 0.00464 0.00353 0.01627 162 3PX -0.00086 0.00949 -0.00801 0.00668 -0.00036 163 3PY -0.00084 -0.00064 0.00068 -0.00533 -0.00212 164 3PZ -0.00100 0.00694 0.00651 -0.00313 0.00011 165 4XX 0.00013 -0.00070 0.00054 -0.00032 -0.00035 166 4YY -0.00035 0.00001 -0.00039 0.00001 -0.00100 167 4ZZ -0.00059 0.00049 -0.00161 0.00047 -0.00142 168 4XY -0.00006 -0.00032 -0.00006 0.00005 -0.00023 169 4XZ 0.00001 -0.00012 0.00025 -0.00009 0.00015 170 4YZ 0.00000 -0.00005 0.00046 -0.00022 0.00048 171 21 C 1S 0.00031 0.00016 0.00230 -0.00028 0.00028 172 2S -0.00014 0.00011 -0.00529 0.00125 -0.00036 173 2PX -0.00106 0.00104 -0.00789 0.00129 -0.00106 174 2PY 0.00029 -0.00035 0.00362 0.00069 -0.00186 175 2PZ -0.00089 0.00172 0.00116 -0.00103 0.00273 176 3S -0.00167 -0.00067 -0.01412 0.00313 -0.00051 177 3PX -0.00070 -0.00067 -0.00053 -0.00011 -0.00160 178 3PY -0.00010 0.00080 -0.00121 -0.00034 -0.00116 179 3PZ -0.00013 0.00145 0.01061 -0.00170 0.00865 180 4XX 0.00047 -0.00028 0.00260 -0.00032 0.00062 181 4YY 0.00012 -0.00014 0.00035 -0.00024 0.00036 182 4ZZ -0.00034 0.00032 -0.00261 0.00052 -0.00089 183 4XY -0.00036 0.00074 -0.00234 0.00068 -0.00100 184 4XZ 0.00011 -0.00015 0.00004 0.00016 0.00005 185 4YZ -0.00050 0.00078 -0.00242 0.00047 -0.00097 186 22 H 1S 0.00142 -0.00087 0.01077 -0.00153 0.00282 187 2S 0.00191 -0.00083 0.02158 -0.00370 0.00567 188 23 H 1S -0.00145 0.00102 -0.00986 0.00186 -0.00338 189 2S -0.00191 0.00051 -0.01929 0.00327 -0.01359 6 7 8 9 10 6 3S 0.30042 7 3PX -0.02125 0.12493 8 3PY 0.00558 -0.00627 0.05320 9 3PZ -0.02576 0.05278 -0.01516 0.09658 10 4XX -0.01129 0.00518 0.00166 0.00076 0.00149 11 4YY 0.00386 -0.00113 -0.00652 -0.00039 -0.00052 12 4ZZ -0.00678 -0.00449 0.00329 -0.00005 0.00007 13 4XY 0.00321 0.00320 0.00012 -0.00028 0.00000 14 4XZ -0.00351 -0.00169 -0.00145 -0.00063 0.00001 15 4YZ 0.00062 -0.00006 -0.00164 0.00357 -0.00014 16 2 H 1S 0.11234 -0.00495 -0.08409 -0.00414 -0.00852 17 2S 0.03321 0.01111 -0.07232 0.00208 -0.00500 18 3 C 1S -0.00917 -0.01229 -0.00985 0.00436 -0.00196 19 2S 0.03349 0.03506 0.02578 -0.01207 0.00316 20 2PX -0.13100 0.04986 -0.05365 0.09570 0.01090 21 2PY -0.05015 -0.06236 -0.00548 0.03271 -0.00514 22 2PZ 0.09086 0.12897 0.02379 0.02882 0.00698 23 3S -0.02622 -0.00789 0.01886 -0.00663 0.00430 24 3PX -0.02877 0.06578 -0.01765 0.05090 0.00751 25 3PY -0.00110 -0.05179 0.00216 -0.00023 -0.00330 26 3PZ 0.00205 0.06086 -0.00262 0.03336 0.00591 27 4XX 0.00394 -0.00569 0.00159 -0.00483 -0.00025 28 4YY -0.00285 0.00026 -0.00408 0.00198 -0.00020 29 4ZZ -0.00162 0.00269 -0.00056 0.00448 0.00012 30 4XY 0.00854 -0.00002 -0.00026 -0.00455 -0.00005 31 4XZ -0.00401 -0.00054 -0.00162 -0.00042 -0.00004 32 4YZ -0.00762 -0.00549 0.00012 -0.00163 0.00034 33 4 H 1S -0.05772 -0.01768 -0.01042 0.00729 0.00308 34 2S -0.05899 -0.03767 -0.01148 0.01281 0.00158 35 5 C 1S 0.00597 0.00436 0.00284 -0.00411 0.00055 36 2S -0.02037 -0.01393 -0.01069 0.00851 -0.00122 37 2PX 0.03771 -0.00498 0.00160 -0.03959 0.00653 38 2PY 0.02421 0.01849 -0.00561 -0.02549 0.00246 39 2PZ -0.04543 -0.03624 -0.01117 -0.01417 0.00489 40 3S -0.00893 0.03728 -0.02368 0.01305 -0.00039 41 3PX 0.00721 -0.03361 -0.00132 -0.03093 0.00408 42 3PY 0.01228 -0.01965 0.00592 -0.01857 0.00039 43 3PZ -0.00387 -0.00661 -0.00060 -0.02249 0.00387 44 4XX 0.00001 0.00305 0.00037 0.00163 0.00008 45 4YY 0.00136 -0.00078 0.00089 -0.00087 0.00005 46 4ZZ 0.00111 -0.00047 -0.00001 -0.00208 -0.00004 47 4XY 0.00563 -0.00236 0.00276 -0.00456 -0.00039 48 4XZ -0.00036 -0.00133 -0.00020 0.00042 0.00001 49 4YZ -0.00433 -0.00703 -0.00146 -0.00175 -0.00032 50 6 H 1S 0.04154 0.02561 0.00662 -0.01359 0.00034 51 2S 0.04889 0.04369 0.01576 -0.01523 0.00109 52 7 C 1S 0.02825 -0.00349 0.01063 -0.00234 -0.00045 53 2S -0.03183 0.01222 -0.00753 0.00648 -0.00045 54 2PX -0.02306 -0.08550 -0.01950 -0.04463 -0.00092 55 2PY 0.03177 -0.02909 -0.01165 -0.01710 0.00052 56 2PZ 0.02406 -0.03410 0.01768 -0.05611 -0.00106 57 3S -0.04410 -0.00575 -0.00618 0.01064 0.00048 58 3PX -0.00584 -0.07057 -0.00669 -0.04024 -0.00074 59 3PY 0.00611 0.00676 -0.01300 -0.00668 0.00022 60 3PZ 0.01060 -0.04021 0.00676 -0.04211 -0.00188 61 4XX 0.00048 -0.00075 -0.00022 -0.00188 0.00045 62 4YY 0.00050 -0.00168 -0.00039 -0.00021 -0.00016 63 4ZZ 0.00055 0.00205 0.00018 0.00145 -0.00017 64 4XY 0.00202 0.00098 0.00099 -0.00105 0.00001 65 4XZ 0.00018 -0.00004 0.00026 0.00009 0.00019 66 4YZ -0.00050 -0.00116 0.00007 0.00136 -0.00007 67 8 H 1S 0.00541 -0.01176 -0.00990 -0.00328 -0.00021 68 2S 0.01443 -0.02820 -0.00401 -0.00909 -0.00090 69 9 C 1S 0.00385 -0.00368 0.00396 0.00182 0.00030 70 2S -0.00945 0.00481 -0.00899 -0.00700 -0.00104 71 2PX -0.01300 -0.00200 -0.00020 0.00413 -0.00015 72 2PY 0.02809 -0.00942 0.01239 0.02230 0.00101 73 2PZ -0.00620 -0.01453 -0.02517 0.02492 0.00235 74 3S -0.01020 0.04242 -0.02366 0.01384 -0.00084 75 3PX -0.00775 0.00409 -0.00203 0.00494 -0.00010 76 3PY 0.01838 -0.01155 0.01564 0.00893 0.00038 77 3PZ -0.00338 -0.01373 -0.01144 0.01344 0.00078 78 4XX 0.00059 -0.00184 -0.00079 -0.00001 0.00012 79 4YY 0.00051 -0.00137 0.00036 -0.00118 -0.00021 80 4ZZ -0.00049 0.00226 0.00066 0.00161 0.00010 81 4XY -0.00114 -0.00075 -0.00018 -0.00084 0.00020 82 4XZ 0.00027 0.00192 -0.00021 0.00236 0.00014 83 4YZ 0.00211 -0.00125 0.00038 0.00342 -0.00004 84 10 H 1S -0.00363 0.00075 -0.00948 0.02494 0.00137 85 2S 0.00095 0.00615 -0.00184 0.02862 0.00250 86 11 H 1S 0.01106 -0.00908 -0.00455 0.00282 -0.00024 87 2S 0.01064 -0.02203 -0.00340 -0.00193 -0.00114 88 12 C 1S -0.00157 0.00447 -0.00706 -0.00574 0.00165 89 2S 0.01520 -0.01065 0.01662 0.02431 -0.00383 90 2PX 0.03863 0.00009 0.00296 0.01554 -0.00731 91 2PY -0.03611 0.00741 -0.01290 -0.05077 0.00064 92 2PZ -0.11063 0.03887 -0.01873 -0.09079 0.00543 93 3S 0.00027 -0.04855 0.02855 -0.00064 -0.00364 94 3PX 0.01156 -0.00166 -0.00036 0.00756 -0.00317 95 3PY -0.00985 0.00131 -0.00472 -0.02374 0.00081 96 3PZ -0.02322 0.01622 -0.00270 -0.04787 0.00128 97 4XX -0.00464 0.00411 0.00008 0.00010 0.00055 98 4YY -0.00178 0.00125 -0.00342 -0.00015 -0.00011 99 4ZZ 0.00861 -0.00456 0.00229 -0.00148 -0.00043 100 4XY -0.00249 -0.00118 0.00060 -0.00104 0.00026 101 4XZ -0.00332 -0.00506 -0.00034 -0.00513 -0.00024 102 4YZ 0.00611 -0.00154 -0.00277 0.00415 -0.00030 103 13 H 1S -0.03205 0.01670 0.00583 0.00224 0.00458 104 2S -0.04471 0.04625 -0.00375 0.01697 0.00610 105 14 H 1S -0.01620 -0.00410 0.00735 -0.02955 -0.00245 106 2S -0.01437 -0.01449 0.00681 -0.04307 -0.00104 107 15 C 1S 0.00480 -0.00167 -0.00190 0.00394 -0.00149 108 2S 0.00186 0.00233 0.00683 -0.00718 0.00263 109 2PX 0.00871 -0.06597 0.01516 -0.05402 0.00495 110 2PY -0.00304 0.01546 -0.00278 0.01962 -0.00345 111 2PZ 0.03423 -0.06250 0.01955 -0.05025 0.00290 112 3S 0.00630 -0.00812 0.01658 -0.00655 0.00471 113 3PX 0.01128 -0.04898 0.01404 -0.04816 0.00306 114 3PY -0.00143 0.01368 -0.00008 0.01789 -0.00193 115 3PZ 0.01274 -0.04713 0.01039 -0.03225 0.00246 116 4XX 0.00710 -0.00462 0.00312 -0.00457 -0.00044 117 4YY -0.00221 0.00123 -0.00110 0.00142 0.00004 118 4ZZ -0.00430 0.00195 -0.00250 0.00257 0.00018 119 4XY 0.00026 0.00166 0.00186 0.00108 0.00037 120 4XZ 0.00173 -0.00304 0.00074 -0.00144 -0.00022 121 4YZ 0.00001 0.00252 0.00115 -0.00021 0.00043 122 16 H 1S -0.01931 0.02448 -0.00640 0.01185 0.00237 123 2S -0.02500 0.02489 -0.01123 0.01822 0.00128 124 17 C 1S -0.00041 -0.00316 -0.00096 -0.00133 -0.00050 125 2S -0.00630 0.00578 -0.00158 0.00432 0.00122 126 2PX 0.01557 0.01636 0.02120 0.00018 0.00641 127 2PY 0.00891 -0.01836 0.00080 -0.01977 0.00217 128 2PZ 0.00403 0.02231 0.01478 -0.00083 0.00550 129 3S -0.00132 0.00668 -0.00009 -0.00730 0.00314 130 3PX 0.00106 0.01951 0.01031 0.00994 0.00456 131 3PY 0.00792 0.00138 0.00610 -0.00097 0.00246 132 3PZ 0.00823 0.02252 0.01126 -0.00260 0.00447 133 4XX 0.00048 0.00096 0.00073 0.00043 0.00002 134 4YY 0.00091 -0.00001 0.00034 -0.00014 0.00001 135 4ZZ -0.00076 -0.00058 -0.00107 -0.00012 -0.00011 136 4XY -0.00075 0.00378 -0.00101 0.00331 -0.00023 137 4XZ 0.00093 0.00169 0.00100 0.00148 0.00002 138 4YZ -0.00172 0.00389 -0.00112 0.00306 -0.00021 139 18 H 1S 0.00328 -0.01992 -0.00383 -0.01167 -0.00039 140 2S 0.00517 -0.02253 -0.00366 -0.01653 -0.00120 141 19 O 1S -0.00071 0.00229 -0.00273 -0.00409 0.00035 142 2S 0.00712 -0.00370 0.00815 0.00911 -0.00046 143 2PX -0.05998 0.03309 -0.03521 0.03600 0.00292 144 2PY 0.03809 0.01203 0.00563 -0.01762 -0.00032 145 2PZ -0.09354 0.02395 -0.05506 0.04414 0.00200 146 3S 0.00109 -0.00859 0.00725 0.00833 -0.00246 147 3PX -0.04680 0.02870 -0.02786 0.02874 0.00148 148 3PY 0.02468 0.00705 0.00352 -0.01326 -0.00033 149 3PZ -0.06946 0.02564 -0.04135 0.04027 0.00128 150 4XX -0.00102 -0.00167 -0.00027 -0.00090 0.00033 151 4YY 0.00234 0.00115 0.00012 -0.00071 -0.00001 152 4ZZ 0.00015 0.00190 0.00022 0.00145 -0.00001 153 4XY -0.00188 0.00172 -0.00110 0.00119 0.00010 154 4XZ -0.00061 -0.00059 -0.00050 -0.00008 0.00002 155 4YZ -0.00342 0.00027 -0.00176 0.00115 0.00021 156 20 O 1S 0.00478 -0.00035 0.00293 -0.00037 0.00005 157 2S -0.01174 -0.00061 -0.00710 -0.00262 0.00009 158 2PX -0.01335 -0.00596 -0.01712 -0.00465 -0.00283 159 2PY 0.01501 0.01028 0.00352 0.00624 -0.00057 160 2PZ -0.00932 0.00680 -0.01285 0.01132 -0.00299 161 3S -0.02203 0.00579 -0.01076 0.01414 -0.00127 162 3PX -0.00986 -0.00762 -0.01264 -0.00164 -0.00284 163 3PY 0.01201 0.00555 0.00297 0.00117 -0.00037 164 3PZ -0.00803 0.00209 -0.01195 0.00635 -0.00270 165 4XX -0.00027 0.00061 0.00014 -0.00022 0.00027 166 4YY -0.00009 -0.00059 -0.00005 -0.00108 0.00006 167 4ZZ 0.00112 -0.00155 0.00034 -0.00116 -0.00011 168 4XY 0.00078 -0.00003 0.00065 -0.00012 0.00012 169 4XZ 0.00042 0.00039 0.00024 0.00009 0.00002 170 4YZ -0.00012 0.00021 0.00012 0.00030 -0.00002 171 21 C 1S -0.00426 0.00078 -0.00192 0.00078 0.00004 172 2S 0.00569 -0.00093 0.00098 -0.00391 0.00020 173 2PX 0.01576 -0.00106 0.00454 -0.00863 -0.00021 174 2PY -0.00791 -0.00267 0.00139 0.00227 0.00035 175 2PZ 0.01034 0.00058 0.00639 0.00421 -0.00101 176 3S 0.00771 -0.00512 0.00323 -0.00671 0.00069 177 3PX 0.00050 0.00104 -0.00154 -0.00250 0.00030 178 3PY 0.00407 -0.00170 0.00207 -0.00056 -0.00023 179 3PZ -0.00683 0.00526 -0.00532 0.00991 -0.00113 180 4XX -0.00397 0.00129 -0.00246 0.00156 0.00006 181 4YY -0.00117 -0.00005 -0.00051 0.00071 -0.00003 182 4ZZ 0.00502 -0.00110 0.00301 -0.00210 -0.00004 183 4XY 0.00072 -0.00172 0.00061 -0.00133 -0.00015 184 4XZ -0.00051 -0.00014 0.00009 0.00040 0.00006 185 4YZ 0.00381 -0.00104 0.00135 -0.00158 -0.00024 186 22 H 1S -0.01830 0.00439 -0.01005 0.00826 0.00012 187 2S -0.02964 0.00964 -0.01782 0.01473 -0.00027 188 23 H 1S 0.02153 -0.00376 0.01271 -0.00669 -0.00018 189 2S 0.03426 -0.00897 0.02256 -0.01660 0.00052 11 12 13 14 15 11 4YY 0.00186 12 4ZZ -0.00073 0.00145 13 4XY 0.00013 -0.00035 0.00042 14 4XZ 0.00039 -0.00006 -0.00009 0.00069 15 4YZ 0.00011 0.00004 -0.00027 0.00008 0.00065 16 2 H 1S 0.01671 -0.00993 0.00154 0.00194 0.00173 17 2S 0.01588 -0.00874 0.00134 0.00309 0.00107 18 3 C 1S 0.00152 0.00017 -0.00334 0.00414 0.00299 19 2S -0.00337 -0.00118 0.00666 -0.00765 -0.00600 20 2PX 0.00152 -0.00180 -0.00345 0.00319 0.00807 21 2PY 0.01234 -0.00099 0.00257 0.00662 -0.00164 22 2PZ -0.00142 -0.01328 0.00807 -0.00046 -0.00179 23 3S -0.00595 0.00226 0.00402 -0.00597 -0.00438 24 3PX 0.00072 -0.00471 0.00043 0.00114 0.00323 25 3PY 0.00312 0.00133 -0.00007 0.00283 0.00034 26 3PZ -0.00082 -0.00632 0.00233 0.00064 0.00096 27 4XX -0.00024 0.00025 -0.00028 0.00009 0.00001 28 4YY 0.00096 -0.00038 0.00009 0.00031 0.00002 29 4ZZ -0.00047 0.00030 -0.00028 -0.00010 0.00044 30 4XY 0.00024 -0.00056 0.00027 0.00010 -0.00010 31 4XZ 0.00056 -0.00018 -0.00003 0.00045 -0.00005 32 4YZ -0.00029 0.00043 -0.00026 0.00003 0.00013 33 4 H 1S -0.00535 0.00632 -0.00349 -0.00387 0.00210 34 2S -0.00517 0.00695 -0.00519 -0.00177 0.00392 35 5 C 1S -0.00185 0.00071 -0.00099 -0.00064 0.00075 36 2S 0.00439 -0.00116 0.00185 0.00123 -0.00144 37 2PX -0.00163 -0.00388 0.00107 0.00246 0.00232 38 2PY -0.00979 0.00242 -0.00568 -0.00139 0.00451 39 2PZ 0.00043 -0.00350 0.00146 0.00178 0.00112 40 3S 0.00673 -0.00420 0.00341 0.00159 -0.00235 41 3PX -0.00057 -0.00209 -0.00024 0.00231 0.00190 42 3PY -0.00499 0.00247 -0.00201 -0.00038 0.00138 43 3PZ -0.00061 -0.00267 0.00151 0.00107 0.00022 44 4XX -0.00015 0.00001 -0.00021 -0.00001 0.00008 45 4YY -0.00003 -0.00001 0.00031 -0.00021 -0.00023 46 4ZZ -0.00027 0.00015 -0.00018 -0.00003 0.00018 47 4XY -0.00013 0.00015 0.00009 -0.00008 -0.00029 48 4XZ 0.00009 0.00001 0.00005 0.00004 -0.00004 49 4YZ 0.00012 0.00047 -0.00023 0.00001 0.00003 50 6 H 1S -0.00257 0.00002 -0.00085 -0.00030 0.00057 51 2S -0.00387 -0.00050 -0.00037 -0.00117 0.00017 52 7 C 1S -0.00084 -0.00046 0.00044 -0.00005 0.00001 53 2S 0.00068 0.00014 -0.00070 -0.00038 -0.00004 54 2PX -0.00196 0.00232 -0.00076 0.00001 0.00160 55 2PY -0.00122 0.00074 0.00097 0.00024 0.00042 56 2PZ -0.00053 0.00066 0.00146 -0.00002 -0.00128 57 3S 0.00050 0.00055 -0.00203 0.00018 0.00050 58 3PX -0.00169 0.00204 -0.00098 -0.00004 0.00116 59 3PY 0.00039 -0.00018 0.00099 -0.00026 0.00008 60 3PZ -0.00020 0.00145 0.00104 0.00010 -0.00136 61 4XX -0.00016 -0.00017 -0.00001 0.00018 0.00007 62 4YY 0.00037 -0.00008 0.00015 0.00005 0.00004 63 4ZZ -0.00008 0.00018 -0.00005 -0.00012 -0.00014 64 4XY -0.00015 0.00005 -0.00013 -0.00004 0.00005 65 4XZ 0.00005 -0.00012 0.00004 0.00005 0.00000 66 4YZ -0.00004 0.00014 0.00005 0.00000 -0.00025 67 8 H 1S 0.00086 -0.00008 0.00059 0.00023 0.00041 68 2S 0.00150 -0.00030 0.00078 0.00062 0.00057 69 9 C 1S -0.00148 0.00048 0.00035 -0.00008 -0.00111 70 2S 0.00319 -0.00116 -0.00074 0.00026 0.00199 71 2PX 0.00054 -0.00019 0.00001 -0.00081 0.00033 72 2PY -0.00817 0.00391 0.00174 -0.00099 -0.00725 73 2PZ -0.00101 0.00006 0.00057 0.00056 -0.00108 74 3S 0.00540 -0.00337 -0.00077 0.00033 0.00251 75 3PX 0.00059 -0.00022 0.00018 -0.00058 0.00018 76 3PY -0.00566 0.00313 0.00046 -0.00110 -0.00319 77 3PZ 0.00002 -0.00023 0.00014 0.00060 -0.00055 78 4XX -0.00023 0.00006 0.00006 0.00005 -0.00021 79 4YY 0.00009 0.00022 -0.00008 -0.00008 0.00034 80 4ZZ -0.00009 -0.00005 0.00001 -0.00003 -0.00021 81 4XY 0.00003 -0.00017 -0.00002 -0.00028 -0.00007 82 4XZ 0.00003 -0.00008 -0.00002 0.00001 -0.00004 83 4YZ -0.00020 0.00002 -0.00012 -0.00009 0.00018 84 10 H 1S -0.00100 -0.00013 0.00010 -0.00069 -0.00105 85 2S -0.00203 -0.00038 -0.00006 -0.00099 -0.00117 86 11 H 1S -0.00155 0.00123 0.00019 0.00082 -0.00098 87 2S -0.00211 0.00239 0.00041 0.00093 -0.00076 88 12 C 1S 0.00169 -0.00512 0.00133 0.00200 -0.00339 89 2S -0.00347 0.00885 -0.00249 -0.00368 0.00663 90 2PX -0.00096 0.00571 0.00080 0.00910 0.00319 91 2PY 0.00949 -0.00772 -0.00066 0.00272 0.00441 92 2PZ 0.00367 0.00067 0.00406 0.00360 -0.00853 93 3S -0.00686 0.01172 -0.00382 -0.00373 0.00653 94 3PX -0.00064 0.00266 0.00043 0.00421 0.00139 95 3PY 0.00361 -0.00391 0.00012 0.00107 0.00184 96 3PZ 0.00257 -0.00033 0.00240 0.00118 -0.00426 97 4XX -0.00029 0.00004 0.00017 -0.00027 -0.00039 98 4YY 0.00084 -0.00055 -0.00004 0.00019 0.00020 99 4ZZ -0.00039 0.00029 0.00001 0.00011 -0.00009 100 4XY -0.00005 -0.00009 -0.00006 -0.00038 -0.00013 101 4XZ 0.00016 0.00052 -0.00012 0.00062 -0.00011 102 4YZ 0.00031 -0.00033 -0.00008 -0.00002 0.00031 103 13 H 1S -0.00286 0.00115 0.00002 -0.00706 -0.00220 104 2S -0.00198 -0.00221 0.00148 -0.00574 -0.00328 105 14 H 1S -0.00242 0.00811 0.00105 0.00401 -0.00145 106 2S -0.00165 0.00535 0.00102 0.00503 -0.00280 107 15 C 1S 0.00012 -0.00031 0.00016 -0.00081 0.00007 108 2S -0.00134 -0.00051 -0.00064 0.00232 -0.00042 109 2PX -0.00229 -0.00005 -0.00255 0.00540 -0.00117 110 2PY 0.00230 -0.00011 -0.00040 -0.00261 -0.00041 111 2PZ -0.00079 -0.00138 -0.00184 0.00199 -0.00099 112 3S -0.00363 -0.00023 -0.00142 0.00284 0.00038 113 3PX -0.00184 0.00014 -0.00135 0.00369 -0.00132 114 3PY -0.00001 0.00089 -0.00003 -0.00203 0.00011 115 3PZ -0.00113 -0.00026 -0.00168 0.00204 0.00000 116 4XX 0.00003 0.00011 0.00002 -0.00022 -0.00008 117 4YY 0.00015 -0.00007 -0.00001 0.00004 0.00001 118 4ZZ -0.00003 0.00003 0.00004 0.00003 0.00010 119 4XY -0.00013 -0.00018 -0.00002 0.00006 0.00001 120 4XZ 0.00003 0.00010 -0.00009 -0.00004 0.00000 121 4YZ -0.00015 -0.00011 -0.00003 0.00023 -0.00001 122 16 H 1S -0.00130 0.00016 0.00041 0.00177 0.00041 123 2S -0.00061 0.00053 0.00025 0.00071 0.00066 124 17 C 1S -0.00011 0.00057 0.00027 -0.00026 0.00015 125 2S 0.00040 -0.00090 -0.00041 0.00034 -0.00011 126 2PX -0.00097 -0.00319 -0.00142 0.00301 -0.00054 127 2PY -0.00126 -0.00002 0.00057 0.00108 0.00046 128 2PZ -0.00060 -0.00255 -0.00099 0.00227 -0.00052 129 3S 0.00159 -0.00306 -0.00029 0.00172 -0.00054 130 3PX -0.00070 -0.00203 -0.00087 0.00155 -0.00013 131 3PY -0.00134 -0.00063 0.00000 0.00054 0.00041 132 3PZ -0.00045 -0.00255 -0.00032 0.00176 -0.00045 133 4XX -0.00003 -0.00003 0.00001 0.00002 -0.00004 134 4YY 0.00000 -0.00004 -0.00002 0.00003 -0.00001 135 4ZZ 0.00000 0.00012 0.00007 -0.00008 0.00007 136 4XY 0.00013 -0.00002 0.00010 -0.00023 0.00004 137 4XZ 0.00001 -0.00009 -0.00005 -0.00002 0.00000 138 4YZ 0.00009 0.00009 0.00009 -0.00015 0.00002 139 18 H 1S -0.00023 0.00048 0.00024 -0.00001 0.00028 140 2S -0.00024 0.00102 0.00025 -0.00013 0.00010 141 19 O 1S 0.00017 0.00016 -0.00005 0.00011 0.00000 142 2S -0.00051 -0.00055 0.00017 -0.00025 0.00013 143 2PX -0.00016 -0.00087 0.00093 0.00017 0.00009 144 2PY 0.00000 0.00000 0.00031 -0.00046 -0.00005 145 2PZ 0.00057 0.00045 -0.00014 0.00175 0.00007 146 3S 0.00011 0.00027 0.00047 -0.00070 -0.00070 147 3PX 0.00020 -0.00035 0.00083 -0.00011 -0.00009 148 3PY 0.00005 0.00008 0.00030 -0.00019 -0.00017 149 3PZ 0.00055 0.00015 0.00014 0.00076 0.00036 150 4XX -0.00011 -0.00007 -0.00008 0.00020 0.00001 151 4YY 0.00002 -0.00005 0.00002 -0.00001 0.00004 152 4ZZ -0.00003 -0.00002 0.00004 -0.00007 0.00006 153 4XY 0.00001 -0.00005 0.00003 -0.00002 -0.00002 154 4XZ 0.00003 0.00000 -0.00003 -0.00005 0.00000 155 4YZ -0.00004 0.00000 -0.00003 0.00017 0.00002 156 20 O 1S -0.00013 -0.00024 -0.00001 0.00001 -0.00001 157 2S 0.00025 0.00047 0.00007 0.00013 -0.00003 158 2PX 0.00074 0.00252 0.00087 -0.00148 0.00035 159 2PY 0.00051 -0.00016 -0.00024 -0.00050 0.00001 160 2PZ 0.00126 0.00185 0.00054 -0.00179 0.00037 161 3S 0.00029 0.00151 -0.00020 -0.00050 0.00001 162 3PX 0.00057 0.00228 0.00058 -0.00134 0.00031 163 3PY 0.00046 -0.00020 -0.00018 -0.00030 -0.00001 164 3PZ 0.00101 0.00155 0.00056 -0.00155 0.00032 165 4XX -0.00002 -0.00012 -0.00002 0.00009 0.00000 166 4YY -0.00002 -0.00004 0.00003 0.00004 -0.00001 167 4ZZ -0.00001 0.00003 0.00002 -0.00003 0.00001 168 4XY -0.00005 -0.00008 -0.00001 0.00007 -0.00001 169 4XZ -0.00001 -0.00002 0.00000 0.00001 0.00000 170 4YZ 0.00000 -0.00004 -0.00001 -0.00002 -0.00002 171 21 C 1S 0.00013 0.00003 0.00003 -0.00016 -0.00007 172 2S -0.00018 0.00009 0.00003 0.00059 0.00011 173 2PX -0.00006 0.00010 0.00012 0.00040 0.00005 174 2PY -0.00002 -0.00026 0.00017 -0.00029 -0.00002 175 2PZ 0.00037 0.00014 0.00013 -0.00018 0.00016 176 3S -0.00020 -0.00002 -0.00016 0.00112 0.00013 177 3PX 0.00012 -0.00010 0.00009 0.00002 0.00009 178 3PY 0.00008 -0.00009 0.00006 -0.00014 0.00004 179 3PZ 0.00041 0.00050 0.00026 -0.00024 0.00028 180 4XX 0.00002 0.00004 0.00004 -0.00007 0.00002 181 4YY 0.00002 0.00002 -0.00003 0.00003 0.00000 182 4ZZ -0.00004 -0.00008 -0.00001 0.00000 -0.00001 183 4XY 0.00002 0.00010 0.00001 -0.00004 0.00001 184 4XZ -0.00002 -0.00001 -0.00002 0.00002 0.00000 185 4YZ 0.00002 0.00009 0.00000 -0.00009 0.00001 186 22 H 1S 0.00009 0.00020 0.00012 -0.00031 0.00004 187 2S 0.00042 0.00041 0.00035 -0.00087 0.00012 188 23 H 1S -0.00012 -0.00023 0.00000 0.00017 -0.00002 189 2S -0.00042 -0.00083 -0.00028 0.00005 -0.00029 16 17 18 19 20 16 2 H 1S 0.21713 17 2S 0.17587 0.16496 18 3 C 1S 0.01211 0.01362 2.05271 19 2S -0.02454 -0.02472 -0.06213 0.32497 20 2PX 0.02452 0.04775 -0.00132 -0.00227 0.36894 21 2PY 0.03578 0.07147 0.00053 0.00162 -0.00010 22 2PZ -0.01200 -0.01043 -0.00083 0.00776 -0.03335 23 3S -0.06199 -0.05921 -0.16066 0.24763 0.01951 24 3PX 0.01711 0.02893 -0.00664 0.02275 0.18139 25 3PY 0.00231 0.00595 0.00378 -0.01619 -0.01324 26 3PZ -0.00667 -0.00121 0.00495 -0.01463 0.05966 27 4XX -0.00145 -0.00307 -0.01431 -0.00947 -0.00800 28 4YY 0.00807 0.00889 -0.01699 -0.00308 0.00425 29 4ZZ -0.00274 -0.00330 -0.01612 -0.00534 0.00691 30 4XY 0.00410 0.00214 0.00088 -0.00123 -0.00498 31 4XZ 0.00313 0.00474 0.00455 -0.00945 -0.00069 32 4YZ -0.00348 -0.00261 -0.00203 0.00342 0.00948 33 4 H 1S -0.02290 -0.02758 -0.06015 0.11224 0.13269 34 2S -0.02724 -0.03410 -0.01303 0.02495 0.12156 35 5 C 1S -0.00849 -0.01195 0.01672 -0.03254 -0.00476 36 2S 0.01865 0.02528 -0.03254 0.05577 0.01022 37 2PX -0.00142 -0.01048 -0.00482 0.01034 0.11574 38 2PY -0.03521 -0.06880 0.07797 -0.16058 -0.00835 39 2PZ 0.00129 0.00302 -0.00353 0.00077 0.08835 40 3S 0.05608 0.06422 -0.00468 0.03452 0.00795 41 3PX -0.00085 -0.00660 -0.00094 -0.00533 0.08532 42 3PY -0.03258 -0.04800 0.01401 -0.04351 -0.01546 43 3PZ -0.00071 -0.00212 -0.00370 0.00935 0.04786 44 4XX -0.00029 -0.00007 0.00249 -0.00553 -0.00009 45 4YY -0.00127 -0.00118 -0.00695 0.01218 -0.00110 46 4ZZ -0.00082 -0.00192 0.00269 -0.00612 -0.00091 47 4XY -0.00167 -0.00248 0.00016 0.00020 -0.01297 48 4XZ 0.00027 0.00048 -0.00058 0.00150 0.00060 49 4YZ 0.00090 0.00055 -0.00019 -0.00008 0.00005 50 6 H 1S -0.00941 -0.02008 0.01228 -0.02561 -0.01874 51 2S -0.01833 -0.02683 0.01464 -0.02567 -0.03386 52 7 C 1S -0.00252 -0.00361 -0.00340 0.00831 -0.00083 53 2S 0.00795 0.01394 0.00823 -0.01879 0.00176 54 2PX -0.01086 -0.03426 0.00833 -0.02657 -0.00636 55 2PY -0.00924 -0.02540 -0.01166 0.02673 -0.00246 56 2PZ -0.00290 -0.00575 -0.00447 0.01371 -0.02038 57 3S 0.00544 0.01444 0.00598 -0.02040 0.03768 58 3PX -0.01173 -0.02811 0.00437 -0.01396 -0.00484 59 3PY 0.00990 0.00402 -0.00283 0.01068 -0.00146 60 3PZ -0.00324 -0.00900 -0.00411 0.00853 -0.03957 61 4XX -0.00021 -0.00090 0.00055 -0.00122 0.00655 62 4YY 0.00086 0.00150 -0.00184 0.00438 -0.00164 63 4ZZ -0.00008 -0.00030 0.00071 -0.00115 -0.00388 64 4XY -0.00059 -0.00079 0.00100 -0.00186 -0.00105 65 4XZ 0.00022 0.00062 -0.00063 0.00122 0.00247 66 4YZ -0.00041 -0.00057 -0.00076 0.00146 -0.00231 67 8 H 1S 0.00159 -0.00152 -0.00849 0.01865 -0.00149 68 2S -0.00152 -0.00431 -0.01195 0.02528 -0.01063 69 9 C 1S -0.00717 -0.00907 -0.00267 0.00503 -0.00128 70 2S 0.01458 0.01876 0.00480 -0.00884 -0.00214 71 2PX 0.00152 0.00485 0.00207 -0.00443 -0.00673 72 2PY -0.03618 -0.06044 -0.00389 0.00856 -0.02850 73 2PZ -0.00437 -0.02000 -0.00787 0.01255 0.01130 74 3S 0.04598 0.05205 0.01325 -0.02296 0.02357 75 3PX 0.00396 0.00611 0.00105 -0.00171 -0.00050 76 3PY -0.03698 -0.04914 -0.00348 0.00737 -0.02763 77 3PZ -0.00022 -0.00663 -0.00485 0.00736 0.00609 78 4XX -0.00081 -0.00228 -0.00029 0.00034 0.00037 79 4YY -0.00011 0.00023 -0.00010 0.00025 -0.00061 80 4ZZ -0.00002 0.00043 0.00024 -0.00042 -0.00010 81 4XY 0.00030 0.00036 -0.00007 0.00035 -0.00023 82 4XZ 0.00020 0.00044 -0.00019 0.00044 0.00101 83 4YZ -0.00198 -0.00306 0.00019 -0.00081 0.00128 84 10 H 1S -0.00529 -0.01307 -0.00137 0.00184 0.00283 85 2S -0.01223 -0.01808 -0.00228 0.00336 0.01501 86 11 H 1S -0.00724 -0.01830 -0.00059 0.00017 -0.00192 87 2S -0.01155 -0.02513 -0.00092 -0.00024 -0.00528 88 12 C 1S 0.01166 0.01409 -0.00300 0.00562 -0.00514 89 2S -0.02374 -0.02636 0.00650 -0.01505 0.01444 90 2PX -0.00671 -0.01513 0.00840 -0.02187 -0.00069 91 2PY 0.03131 0.05911 -0.00130 0.00315 -0.00225 92 2PZ 0.03242 0.06674 -0.01208 0.03133 -0.04903 93 3S -0.06426 -0.06878 0.00759 -0.01648 -0.00173 94 3PX -0.00615 -0.00964 0.00455 -0.00904 -0.00128 95 3PY 0.00752 0.01767 -0.00410 0.00869 -0.00732 96 3PZ 0.02545 0.03804 -0.00802 0.01865 -0.04075 97 4XX -0.00156 -0.00043 -0.00114 0.00235 0.00087 98 4YY 0.00649 0.00718 0.00068 -0.00152 0.00309 99 4ZZ -0.00182 -0.00456 -0.00030 0.00016 -0.00630 100 4XY -0.00122 -0.00059 -0.00025 0.00073 -0.00134 101 4XZ 0.00093 0.00158 0.00130 -0.00292 -0.00158 102 4YZ 0.00479 0.00207 0.00054 -0.00141 0.00385 103 13 H 1S -0.01340 -0.00727 -0.00759 0.01927 -0.00229 104 2S -0.01058 -0.00004 -0.01116 0.02903 0.00211 105 14 H 1S -0.00897 -0.00496 0.00157 -0.00345 -0.02937 106 2S -0.00566 -0.00227 0.00141 -0.00403 -0.02938 107 15 C 1S 0.00407 0.00291 -0.00177 0.00269 -0.00918 108 2S -0.00632 -0.00295 0.00264 -0.00451 0.02098 109 2PX -0.01724 -0.02258 0.00503 -0.01912 0.03134 110 2PY 0.01445 0.01728 -0.00170 0.00505 -0.01827 111 2PZ -0.00485 -0.01180 0.00223 -0.00609 0.00577 112 3S -0.02945 -0.02842 0.00361 -0.01130 0.05382 113 3PX -0.01401 -0.01788 0.00659 -0.01009 0.00582 114 3PY -0.00483 -0.00474 -0.00256 0.00681 -0.01977 115 3PZ -0.00814 -0.01338 0.00154 -0.01149 0.02462 116 4XX 0.00033 -0.00067 -0.00079 0.00083 -0.00597 117 4YY 0.00112 0.00160 -0.00013 -0.00023 0.00211 118 4ZZ -0.00055 -0.00050 -0.00029 0.00012 0.00136 119 4XY -0.00137 -0.00016 -0.00016 0.00026 0.00433 120 4XZ 0.00012 -0.00045 0.00048 -0.00092 -0.00195 121 4YZ -0.00126 -0.00062 0.00029 -0.00044 0.00517 122 16 H 1S -0.00803 -0.00414 0.00083 -0.00297 0.02681 123 2S -0.00432 -0.00114 0.00006 -0.00133 0.01962 124 17 C 1S -0.00153 -0.00260 -0.00069 0.00138 -0.01091 125 2S 0.00204 0.00374 0.00058 -0.00174 0.02275 126 2PX -0.00478 0.00461 0.00297 -0.00822 0.07774 127 2PY -0.00967 -0.01639 -0.00009 -0.00136 0.01157 128 2PZ -0.00401 0.00634 0.00129 -0.00392 0.05900 129 3S 0.02034 0.02617 0.00391 -0.00679 0.05266 130 3PX -0.00386 0.00365 0.00129 -0.00640 0.05979 131 3PY -0.01134 -0.01244 -0.00151 0.00182 0.02880 132 3PZ -0.00078 0.00667 0.00188 -0.00094 0.04676 133 4XX -0.00022 0.00028 -0.00022 0.00029 -0.00078 134 4YY 0.00017 0.00015 -0.00006 0.00020 0.00040 135 4ZZ -0.00023 -0.00083 -0.00029 0.00039 -0.00168 136 4XY 0.00115 0.00147 -0.00007 0.00073 -0.00111 137 4XZ 0.00025 0.00089 0.00015 -0.00017 0.00113 138 4YZ 0.00057 0.00104 -0.00021 0.00063 -0.00165 139 18 H 1S -0.00202 -0.00893 0.00040 -0.00106 -0.00592 140 2S -0.00285 -0.01062 0.00059 -0.00059 -0.02536 141 19 O 1S 0.00030 -0.00251 0.00025 -0.00139 0.00321 142 2S -0.00115 0.00538 -0.00129 0.00317 -0.00263 143 2PX -0.00312 0.00055 -0.00316 0.01245 -0.00850 144 2PY 0.00246 -0.00900 0.00082 0.00223 -0.00005 145 2PZ -0.00082 -0.00038 -0.00061 0.00106 -0.00171 146 3S 0.00162 0.01042 0.00114 0.00790 -0.03867 147 3PX -0.00070 0.00214 -0.00189 0.01050 -0.01367 148 3PY 0.00216 -0.00529 0.00094 0.00179 -0.00429 149 3PZ 0.00107 0.00269 -0.00173 0.00209 0.00207 150 4XX -0.00077 -0.00088 -0.00008 -0.00055 0.00230 151 4YY 0.00045 -0.00030 -0.00033 -0.00005 0.00141 152 4ZZ -0.00011 0.00018 -0.00035 0.00000 0.00131 153 4XY -0.00008 0.00009 -0.00003 0.00064 -0.00059 154 4XZ 0.00013 -0.00014 -0.00017 -0.00006 0.00018 155 4YZ -0.00054 -0.00048 -0.00007 -0.00021 0.00132 156 20 O 1S 0.00027 0.00065 0.00003 0.00038 0.00239 157 2S -0.00065 -0.00183 0.00010 -0.00105 -0.00426 158 2PX 0.00042 -0.00849 -0.00146 0.00393 -0.04298 159 2PY 0.00412 0.00307 0.00082 0.00067 -0.00099 160 2PZ 0.00615 0.00136 -0.00083 0.00298 -0.03254 161 3S -0.00283 -0.00273 -0.00062 -0.00216 -0.01713 162 3PX 0.00000 -0.00712 -0.00134 0.00261 -0.03875 163 3PY 0.00402 0.00308 0.00076 0.00013 -0.00028 164 3PZ 0.00529 0.00042 -0.00103 0.00347 -0.03007 165 4XX -0.00014 0.00008 0.00009 -0.00010 0.00275 166 4YY 0.00004 -0.00003 0.00004 0.00005 0.00045 167 4ZZ 0.00006 -0.00023 0.00014 -0.00011 -0.00128 168 4XY -0.00017 0.00002 0.00003 -0.00009 0.00141 169 4XZ 0.00000 0.00006 -0.00002 0.00004 0.00042 170 4YZ 0.00008 0.00028 -0.00002 0.00009 0.00003 171 21 C 1S 0.00003 0.00032 -0.00034 0.00050 -0.00186 172 2S -0.00057 -0.00250 0.00067 -0.00179 0.00524 173 2PX 0.00048 -0.00236 0.00089 -0.00226 0.00497 174 2PY -0.00079 0.00310 -0.00109 0.00156 -0.00102 175 2PZ 0.00233 0.00526 0.00031 0.00003 -0.00697 176 3S -0.00147 -0.00318 0.00165 -0.00331 0.01100 177 3PX 0.00031 -0.00077 -0.00030 0.00055 0.00236 178 3PY 0.00086 0.00099 -0.00028 0.00056 -0.00139 179 3PZ 0.00146 0.00219 -0.00027 0.00123 -0.01150 180 4XX -0.00016 -0.00032 -0.00023 0.00067 -0.00161 181 4YY 0.00008 0.00021 0.00009 -0.00031 0.00024 182 4ZZ 0.00006 0.00021 0.00007 -0.00029 0.00126 183 4XY 0.00003 -0.00011 0.00002 -0.00031 -0.00120 184 4XZ -0.00021 0.00000 0.00002 -0.00015 0.00061 185 4YZ 0.00029 -0.00036 0.00011 -0.00011 -0.00132 186 22 H 1S -0.00049 -0.00051 -0.00094 0.00273 -0.00762 187 2S 0.00055 0.00037 -0.00199 0.00548 -0.01681 188 23 H 1S 0.00045 0.00163 0.00063 -0.00138 0.00486 189 2S 0.00001 0.00217 0.00066 -0.00226 0.01322 21 22 23 24 25 21 2PY 0.41338 22 2PZ -0.00266 0.39021 23 3S 0.01126 -0.02945 0.25001 24 3PX -0.01275 0.07516 0.00533 0.11994 25 3PY 0.13841 -0.02575 0.00773 -0.02131 0.06235 26 3PZ -0.00571 0.16785 -0.01274 0.06572 -0.01393 27 4XX -0.00592 -0.00346 -0.00561 -0.00526 0.00007 28 4YY 0.01307 -0.00037 -0.00313 0.00157 0.00297 29 4ZZ -0.01026 -0.00258 -0.00245 0.00264 -0.00301 30 4XY -0.00027 0.01074 -0.00261 0.00016 0.00037 31 4XZ 0.00920 0.00221 -0.00814 -0.00040 0.00260 32 4YZ -0.00192 -0.01031 0.00706 0.00159 0.00073 33 4 H 1S -0.13056 -0.18760 0.11508 0.03244 -0.03905 34 2S -0.11767 -0.18096 0.05422 0.01791 -0.02553 35 5 C 1S -0.07796 -0.00366 -0.00467 -0.00094 -0.01399 36 2S 0.16057 0.00105 0.03449 -0.00532 0.04346 37 2PX 0.00865 0.08831 0.00801 0.08530 0.01558 38 2PY -0.31237 -0.00065 -0.12663 -0.01480 -0.09114 39 2PZ 0.00014 0.08701 0.05745 0.03722 0.01181 40 3S 0.12657 0.05763 -0.01750 0.01592 0.01401 41 3PX 0.01493 0.03724 0.01591 0.04727 0.01989 42 3PY -0.09114 -0.01202 -0.01406 -0.01985 -0.01363 43 3PZ -0.01865 0.07387 0.02529 0.03340 -0.00060 44 4XX -0.00873 -0.00018 -0.00630 0.00087 -0.00383 45 4YY 0.00581 0.00053 0.01204 0.00009 0.00269 46 4ZZ -0.00925 -0.00157 -0.00574 -0.00114 -0.00259 47 4XY 0.00144 -0.00017 -0.00227 -0.00623 0.00083 48 4XZ 0.00312 -0.00042 0.00358 0.00029 0.00185 49 4YZ 0.00024 -0.01358 0.00430 -0.00435 0.00193 50 6 H 1S -0.04296 0.01315 -0.06040 0.00249 -0.01988 51 2S -0.08637 0.03928 -0.06761 0.00572 -0.03822 52 7 C 1S 0.01223 0.00587 -0.00303 0.00672 0.00510 53 2S -0.03289 -0.01502 -0.01977 -0.00621 -0.01886 54 2PX -0.03170 -0.02712 0.05025 -0.04985 0.02115 55 2PY 0.03370 0.00712 0.09135 -0.00088 0.05079 56 2PZ 0.01506 -0.00548 -0.01047 -0.00959 0.00771 57 3S -0.02411 -0.04549 -0.00894 0.00718 -0.01227 58 3PX -0.01849 -0.03618 0.03718 -0.03348 0.01956 59 3PY -0.00566 0.01117 0.02368 0.00139 0.00589 60 3PZ 0.02542 -0.01411 0.01299 -0.03086 0.01854 61 4XX -0.00245 0.00490 -0.00039 0.00409 -0.00039 62 4YY 0.00977 0.00044 0.00672 -0.00057 0.00498 63 4ZZ -0.00241 -0.00350 -0.00419 -0.00209 -0.00246 64 4XY -0.00570 -0.00147 -0.00341 0.00024 -0.00201 65 4XZ 0.00137 0.00179 0.00158 0.00231 0.00038 66 4YZ 0.00453 -0.00110 0.00238 -0.00190 0.00140 67 8 H 1S 0.03520 0.00132 0.05610 -0.00091 0.03258 68 2S 0.06877 0.00308 0.06423 -0.00670 0.04801 69 9 C 1S 0.00374 0.00578 0.01090 -0.00010 0.00348 70 2S -0.00680 -0.01509 -0.02106 -0.00216 -0.00597 71 2PX -0.00761 -0.00881 -0.01306 -0.00579 -0.01724 72 2PY -0.01165 0.00379 0.01901 -0.01994 -0.00712 73 2PZ 0.02365 0.02040 0.07875 -0.00223 0.02445 74 3S -0.03011 -0.00949 -0.06109 0.01894 -0.02943 75 3PX -0.00180 -0.00164 -0.00818 -0.00074 -0.00911 76 3PY -0.00896 -0.00192 0.01687 -0.01749 -0.00057 77 3PZ 0.02430 0.00451 0.04100 -0.00215 0.01697 78 4XX -0.00022 0.00077 0.00343 -0.00066 0.00108 79 4YY 0.00192 -0.00177 0.00111 -0.00062 0.00183 80 4ZZ -0.00197 0.00058 -0.00283 0.00075 -0.00254 81 4XY -0.00100 0.00058 0.00078 -0.00013 -0.00123 82 4XZ 0.00088 0.00064 0.00001 0.00163 -0.00060 83 4YZ 0.00015 -0.00009 0.00128 -0.00001 0.00086 84 10 H 1S -0.00018 0.00655 0.02057 -0.00052 -0.00489 85 2S -0.00380 0.01955 0.01850 0.01190 -0.00768 86 11 H 1S 0.00229 -0.00059 0.01949 -0.00704 0.01406 87 2S 0.00697 -0.00755 0.02801 -0.01611 0.02151 88 12 C 1S -0.00156 0.01145 0.00522 -0.00086 -0.00404 89 2S 0.00595 -0.02805 -0.00899 -0.00032 0.00850 90 2PX 0.01090 -0.03290 -0.02766 -0.00839 0.02940 91 2PY 0.00421 0.00686 -0.00920 0.00779 0.00651 92 2PZ -0.00707 0.02309 0.00217 -0.01026 -0.03195 93 3S -0.01090 -0.07809 0.01671 -0.02529 0.02143 94 3PX 0.00744 -0.01499 -0.00631 -0.00641 0.01541 95 3PY 0.00447 0.02094 0.01089 0.00283 0.00709 96 3PZ 0.00835 0.02266 -0.00607 -0.00784 -0.01121 97 4XX -0.00219 0.00526 0.00156 0.00186 -0.00297 98 4YY 0.00171 -0.00200 -0.00276 0.00146 -0.00003 99 4ZZ -0.00095 -0.00133 0.00089 -0.00368 0.00189 100 4XY 0.00012 -0.00010 0.00125 -0.00085 -0.00104 101 4XZ 0.00304 -0.00927 -0.00203 -0.00285 0.00235 102 4YZ 0.00174 -0.00057 0.00073 0.00129 0.00182 103 13 H 1S -0.01535 0.03244 0.01768 0.00672 -0.02875 104 2S -0.02109 0.07094 0.02298 0.01673 -0.03784 105 14 H 1S 0.00309 -0.02864 -0.01227 -0.01938 0.00436 106 2S -0.00014 -0.02535 -0.01118 -0.01795 0.00457 107 15 C 1S 0.00006 -0.00379 0.00657 -0.00947 -0.00149 108 2S 0.00007 0.01059 -0.01521 0.02236 0.00031 109 2PX -0.00231 0.00560 0.01145 0.02157 0.01375 110 2PY 0.00155 -0.01158 0.00919 -0.01859 -0.00226 111 2PZ -0.00213 -0.00876 -0.00452 0.00993 0.00725 112 3S 0.00014 0.02755 -0.00258 0.04270 0.01057 113 3PX -0.00333 -0.00108 0.00197 0.00782 0.00925 114 3PY -0.00111 -0.01112 0.00723 -0.01494 -0.00065 115 3PZ -0.00218 -0.00974 0.00419 0.01262 0.01001 116 4XX 0.00039 -0.00411 -0.00147 -0.00314 0.00123 117 4YY 0.00021 0.00109 0.00114 0.00074 -0.00027 118 4ZZ 0.00021 0.00083 0.00122 0.00019 -0.00053 119 4XY -0.00101 0.00385 -0.00143 0.00422 -0.00157 120 4XZ 0.00046 -0.00186 0.00108 -0.00206 0.00123 121 4YZ -0.00090 0.00429 -0.00186 0.00491 -0.00049 122 16 H 1S -0.00212 0.02055 -0.00652 0.02163 -0.00340 123 2S -0.00408 0.00488 -0.00205 0.01154 -0.00511 124 17 C 1S 0.00262 -0.00738 0.00206 -0.00808 0.00240 125 2S -0.00401 0.01701 0.00406 0.01434 -0.00314 126 2PX -0.01576 0.05619 -0.03483 0.07588 -0.02108 127 2PY -0.00429 0.01171 -0.00098 0.01100 0.00156 128 2PZ -0.01021 0.04319 -0.02173 0.05756 -0.01038 129 3S -0.01296 0.03698 -0.01668 0.04063 -0.01632 130 3PX -0.01204 0.03995 -0.01867 0.05278 -0.01488 131 3PY -0.00193 0.02412 0.00033 0.02547 0.00058 132 3PZ -0.01429 0.04457 -0.02361 0.04977 -0.01442 133 4XX 0.00019 0.00000 -0.00099 0.00034 -0.00038 134 4YY 0.00036 0.00041 -0.00034 0.00066 0.00015 135 4ZZ 0.00028 -0.00081 0.00144 -0.00194 0.00055 136 4XY 0.00003 0.00003 -0.00062 -0.00071 -0.00100 137 4XZ -0.00034 0.00070 -0.00230 0.00172 -0.00120 138 4YZ 0.00047 -0.00060 0.00014 -0.00123 -0.00023 139 18 H 1S -0.00079 -0.00433 0.00810 -0.00939 0.00344 140 2S -0.00063 -0.01692 0.00615 -0.02182 0.00526 141 19 O 1S 0.00047 0.00086 0.00079 0.00141 0.00425 142 2S -0.00153 0.00027 -0.00746 0.00211 -0.00987 143 2PX -0.00183 0.00688 0.01252 -0.00809 -0.01631 144 2PY 0.00069 -0.00066 -0.03846 0.01578 0.00469 145 2PZ 0.00195 0.00447 0.04552 -0.02043 -0.00930 146 3S -0.00183 -0.01425 0.00167 -0.02446 -0.01277 147 3PX -0.00021 0.00372 0.01056 -0.01115 -0.01250 148 3PY 0.00011 -0.00181 -0.02537 0.00767 0.00281 149 3PZ 0.00177 0.00526 0.03122 -0.01275 -0.00868 150 4XX -0.00019 0.00099 0.00069 0.00147 0.00013 151 4YY -0.00003 0.00070 -0.00216 0.00173 0.00044 152 4ZZ -0.00039 0.00115 -0.00044 0.00103 -0.00032 153 4XY -0.00017 0.00032 -0.00004 -0.00020 -0.00066 154 4XZ 0.00001 -0.00009 0.00101 -0.00032 0.00012 155 4YZ -0.00016 0.00089 0.00163 0.00030 -0.00037 156 20 O 1S -0.00041 0.00198 -0.00543 0.00315 -0.00232 157 2S 0.00031 -0.00298 0.01365 -0.00674 0.00620 158 2PX 0.00709 -0.03009 0.02263 -0.04378 0.01543 159 2PY -0.00082 -0.00197 -0.01673 0.00770 -0.00395 160 2PZ 0.00410 -0.02199 0.01033 -0.03146 0.00328 161 3S 0.00388 -0.01807 0.01895 -0.01954 0.00642 162 3PX 0.00824 -0.03027 0.01846 -0.03914 0.01303 163 3PY -0.00032 -0.00154 -0.01304 0.00586 -0.00226 164 3PZ 0.00420 -0.01977 0.01202 -0.02948 0.00466 165 4XX -0.00069 0.00235 -0.00048 0.00241 -0.00063 166 4YY -0.00012 0.00073 0.00033 0.00017 0.00018 167 4ZZ -0.00010 -0.00096 -0.00012 -0.00105 0.00029 168 4XY -0.00026 0.00123 -0.00098 0.00170 -0.00061 169 4XZ -0.00002 0.00035 -0.00059 0.00059 -0.00016 170 4YZ 0.00013 0.00003 0.00006 0.00005 -0.00005 171 21 C 1S -0.00057 -0.00048 0.00278 -0.00243 -0.00033 172 2S 0.00022 0.00168 -0.00556 0.00495 0.00171 173 2PX 0.00063 0.00143 -0.01183 0.00674 0.00378 174 2PY -0.00156 0.00201 0.00972 -0.00402 -0.00215 175 2PZ 0.00135 -0.00801 -0.00514 -0.00461 0.00089 176 3S 0.00436 0.00234 -0.00760 0.00952 0.00351 177 3PX 0.00138 0.00357 -0.00089 0.00233 0.00133 178 3PY -0.00024 -0.00165 -0.00171 -0.00065 -0.00043 179 3PZ 0.00190 -0.00958 0.00305 -0.01171 0.00034 180 4XX -0.00012 -0.00048 0.00205 -0.00193 -0.00033 181 4YY 0.00000 0.00004 0.00078 -0.00018 -0.00022 182 4ZZ -0.00012 0.00030 -0.00280 0.00201 0.00042 183 4XY 0.00028 -0.00135 0.00118 -0.00160 0.00109 184 4XZ -0.00025 0.00047 0.00047 0.00030 -0.00027 185 4YZ 0.00029 -0.00148 -0.00188 -0.00041 0.00074 186 22 H 1S 0.00022 -0.00252 0.01086 -0.00926 -0.00201 187 2S 0.00112 -0.00553 0.01789 -0.01855 -0.00260 188 23 H 1S -0.00007 0.00085 -0.01201 0.00790 0.00188 189 2S -0.00430 0.00871 -0.01727 0.01853 0.00058 26 27 28 29 30 26 3PZ 0.09323 27 4XX -0.00248 0.00092 28 4YY 0.00080 -0.00023 0.00114 29 4ZZ 0.00046 0.00022 -0.00020 0.00089 30 4XY 0.00330 0.00019 0.00000 -0.00032 0.00095 31 4XZ 0.00112 0.00007 0.00048 -0.00026 0.00017 32 4YZ -0.00212 0.00003 -0.00015 0.00011 -0.00042 33 4 H 1S -0.05975 -0.00192 -0.00409 0.00552 -0.00785 34 2S -0.05145 0.00070 -0.00364 0.00648 -0.00773 35 5 C 1S -0.00373 0.00249 -0.00695 0.00269 -0.00015 36 2S 0.00944 -0.00552 0.01218 -0.00612 -0.00022 37 2PX 0.04782 -0.00012 -0.00107 -0.00092 0.01297 38 2PY 0.01845 0.00872 -0.00580 0.00926 0.00147 39 2PZ 0.07395 -0.00016 0.00048 -0.00152 0.00018 40 3S 0.02529 -0.00631 0.01206 -0.00575 0.00224 41 3PX 0.03344 0.00086 0.00009 -0.00114 0.00624 42 3PY 0.00056 0.00383 -0.00269 0.00260 0.00084 43 3PZ 0.04480 0.00016 -0.00090 -0.00105 0.00342 44 4XX 0.00015 0.00022 -0.00029 0.00036 -0.00031 45 4YY -0.00089 -0.00029 -0.00016 -0.00028 0.00013 46 4ZZ -0.00106 0.00036 -0.00028 0.00033 0.00028 47 4XY -0.00341 0.00031 -0.00013 -0.00028 0.00043 48 4XZ -0.00022 0.00000 -0.00023 -0.00005 -0.00005 49 4YZ -0.00545 0.00020 -0.00009 0.00003 -0.00050 50 6 H 1S -0.00282 0.00081 0.00187 0.00079 0.00512 51 2S 0.00220 0.00160 -0.00149 0.00191 0.00529 52 7 C 1S -0.00511 0.00018 -0.00096 -0.00025 0.00180 53 2S -0.00130 -0.00040 0.00213 0.00080 -0.00376 54 2PX 0.00970 0.00314 0.00146 -0.00073 0.00179 55 2PY -0.00099 0.00095 -0.00420 -0.00076 0.00591 56 2PZ -0.02947 0.00187 -0.00324 -0.00147 0.00819 57 3S -0.00388 0.00002 0.00134 0.00112 -0.00564 58 3PX -0.00649 0.00305 -0.00080 -0.00046 0.00236 59 3PY 0.00065 -0.00038 -0.00087 0.00001 0.00276 60 3PZ -0.02247 0.00162 -0.00086 -0.00207 0.00457 61 4XX 0.00388 0.00008 0.00005 -0.00004 0.00039 62 4YY -0.00061 -0.00015 -0.00003 -0.00027 0.00013 63 4ZZ -0.00267 0.00001 -0.00001 0.00015 -0.00015 64 4XY -0.00151 0.00021 -0.00031 0.00018 0.00009 65 4XZ 0.00107 -0.00001 -0.00021 -0.00003 0.00008 66 4YZ -0.00022 -0.00008 0.00023 -0.00018 -0.00029 67 8 H 1S -0.00067 -0.00029 -0.00127 -0.00082 0.00167 68 2S -0.00208 -0.00007 -0.00118 -0.00193 0.00249 69 9 C 1S 0.00343 0.00000 -0.00020 -0.00037 -0.00004 70 2S -0.00990 0.00002 0.00036 0.00057 0.00040 71 2PX -0.00097 -0.00032 -0.00065 0.00085 -0.00037 72 2PY -0.00334 0.00082 -0.00190 0.00047 -0.00034 73 2PZ 0.03400 -0.00066 0.00058 -0.00074 -0.00159 74 3S -0.00439 -0.00152 0.00206 0.00193 -0.00050 75 3PX 0.00004 -0.00053 0.00004 0.00043 -0.00021 76 3PY -0.00541 0.00108 -0.00223 0.00055 -0.00015 77 3PZ 0.01557 -0.00033 0.00056 -0.00068 -0.00145 78 4XX 0.00115 0.00006 0.00000 -0.00005 0.00006 79 4YY -0.00139 0.00004 -0.00008 0.00000 0.00012 80 4ZZ 0.00032 -0.00006 0.00004 0.00005 -0.00026 81 4XY 0.00081 0.00002 -0.00002 -0.00008 0.00008 82 4XZ 0.00082 -0.00009 -0.00005 0.00005 -0.00014 83 4YZ 0.00131 0.00003 -0.00008 0.00019 -0.00027 84 10 H 1S 0.01532 -0.00054 -0.00031 0.00069 -0.00159 85 2S 0.02316 -0.00055 -0.00064 0.00071 -0.00180 86 11 H 1S 0.00041 0.00055 0.00013 -0.00008 0.00000 87 2S -0.00391 0.00080 0.00005 -0.00012 0.00028 88 12 C 1S 0.00805 -0.00047 0.00081 -0.00156 0.00079 89 2S -0.01520 0.00036 -0.00158 0.00302 -0.00173 90 2PX -0.02847 0.00027 -0.00138 0.00378 -0.00102 91 2PY 0.00235 -0.00009 0.00124 -0.00209 0.00249 92 2PZ -0.00734 -0.00134 0.00398 -0.00733 0.00401 93 3S -0.03847 0.00277 -0.00436 0.00350 -0.00171 94 3PX -0.01190 0.00006 -0.00070 0.00170 -0.00039 95 3PY 0.00932 0.00007 -0.00008 -0.00118 0.00209 96 3PZ -0.00483 -0.00042 0.00204 -0.00435 0.00270 97 4XX 0.00260 -0.00019 0.00007 -0.00013 0.00005 98 4YY -0.00033 -0.00015 0.00035 -0.00005 0.00000 99 4ZZ -0.00192 0.00036 -0.00033 0.00002 0.00010 100 4XY 0.00038 0.00004 -0.00002 -0.00015 0.00001 101 4XZ -0.00493 0.00027 0.00010 -0.00019 0.00001 102 4YZ 0.00128 -0.00005 0.00011 0.00019 -0.00008 103 13 H 1S 0.01865 -0.00090 0.00034 -0.00156 0.00015 104 2S 0.03875 -0.00253 0.00078 -0.00124 0.00045 105 14 H 1S -0.03018 0.00081 -0.00014 -0.00072 0.00062 106 2S -0.02565 0.00164 -0.00013 -0.00169 0.00142 107 15 C 1S -0.00354 -0.00071 0.00004 -0.00029 -0.00017 108 2S 0.00661 0.00088 -0.00016 0.00024 0.00053 109 2PX 0.02093 0.00527 -0.00264 -0.00290 0.00298 110 2PY -0.01555 -0.00107 0.00085 0.00015 -0.00045 111 2PZ 0.00058 0.00439 -0.00130 -0.00243 0.00269 112 3S 0.02485 0.00169 -0.00170 0.00040 0.00083 113 3PX 0.00565 0.00393 -0.00184 -0.00224 0.00267 114 3PY -0.01188 -0.00085 -0.00011 0.00089 -0.00134 115 3PZ 0.00641 0.00308 -0.00117 -0.00129 0.00150 116 4XX -0.00384 0.00026 -0.00010 -0.00022 0.00008 117 4YY 0.00119 -0.00010 0.00008 0.00001 -0.00001 118 4ZZ 0.00131 -0.00016 0.00007 0.00017 -0.00011 119 4XY 0.00242 -0.00005 -0.00004 0.00002 -0.00003 120 4XZ -0.00097 0.00017 -0.00010 -0.00012 0.00007 121 4YZ 0.00296 -0.00001 -0.00007 0.00000 -0.00001 122 16 H 1S 0.01685 -0.00102 0.00002 0.00110 -0.00076 123 2S 0.00914 -0.00139 0.00026 0.00140 -0.00166 124 17 C 1S -0.00514 -0.00017 -0.00007 -0.00009 -0.00015 125 2S 0.01323 0.00011 0.00011 0.00011 0.00041 126 2PX 0.03839 0.00104 -0.00086 -0.00078 0.00033 127 2PY 0.01322 0.00105 -0.00089 -0.00044 0.00083 128 2PZ 0.03306 0.00012 -0.00024 -0.00055 -0.00061 129 3S 0.02608 0.00024 0.00067 -0.00088 0.00199 130 3PX 0.03141 -0.00002 -0.00029 -0.00003 -0.00069 131 3PY 0.01789 0.00019 -0.00078 0.00009 0.00034 132 3PZ 0.02773 -0.00002 -0.00031 -0.00039 0.00058 133 4XX 0.00045 -0.00005 0.00003 -0.00002 -0.00023 134 4YY -0.00027 0.00003 0.00000 -0.00001 0.00009 135 4ZZ -0.00077 -0.00002 -0.00001 0.00004 0.00008 136 4XY -0.00075 -0.00027 0.00012 0.00015 -0.00017 137 4XZ -0.00001 -0.00005 0.00001 0.00003 -0.00010 138 4YZ -0.00098 -0.00026 0.00010 0.00014 -0.00022 139 18 H 1S -0.00180 0.00094 -0.00043 -0.00017 0.00129 140 2S -0.01228 0.00117 -0.00052 -0.00024 0.00126 141 19 O 1S 0.00192 0.00007 -0.00006 -0.00013 -0.00001 142 2S -0.00331 -0.00017 0.00022 0.00056 -0.00003 143 2PX 0.00858 -0.00235 0.00167 0.00253 -0.00170 144 2PY -0.01123 0.00047 0.00014 0.00020 0.00006 145 2PZ 0.01848 -0.00184 0.00100 0.00209 -0.00140 146 3S -0.01831 -0.00011 0.00019 0.00009 0.00011 147 3PX 0.00384 -0.00200 0.00129 0.00180 -0.00142 148 3PY -0.00921 0.00036 0.00012 0.00005 0.00014 149 3PZ 0.01385 -0.00202 0.00108 0.00199 -0.00139 150 4XX 0.00155 0.00013 -0.00005 -0.00002 0.00009 151 4YY 0.00006 0.00000 0.00002 0.00003 0.00000 152 4ZZ 0.00067 -0.00012 0.00001 0.00007 -0.00009 153 4XY 0.00002 -0.00009 0.00007 0.00009 -0.00006 154 4XZ 0.00034 0.00002 -0.00001 -0.00003 0.00001 155 4YZ 0.00150 -0.00002 0.00000 0.00006 -0.00002 156 20 O 1S 0.00044 0.00000 -0.00004 0.00000 0.00015 157 2S 0.00085 0.00009 0.00004 -0.00011 -0.00016 158 2PX -0.02316 -0.00031 0.00041 0.00058 0.00003 159 2PY -0.01232 0.00001 0.00024 0.00028 -0.00001 160 2PZ -0.02613 -0.00068 0.00034 0.00066 0.00025 161 3S -0.00832 -0.00044 0.00028 0.00054 -0.00179 162 3PX -0.02229 -0.00021 0.00031 0.00046 -0.00025 163 3PY -0.00873 0.00012 0.00018 0.00004 0.00020 164 3PZ -0.02174 -0.00053 0.00031 0.00051 0.00043 165 4XX 0.00160 0.00002 -0.00002 -0.00001 0.00007 166 4YY 0.00089 0.00002 -0.00002 -0.00004 0.00007 167 4ZZ -0.00080 0.00007 -0.00002 -0.00003 0.00009 168 4XY 0.00083 0.00003 -0.00003 -0.00003 0.00002 169 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00001 170 4YZ 0.00032 -0.00003 0.00002 0.00000 -0.00006 171 21 C 1S -0.00011 -0.00014 -0.00001 -0.00005 -0.00008 172 2S 0.00178 0.00027 -0.00017 0.00000 0.00017 173 2PX 0.00029 0.00038 -0.00031 -0.00020 0.00014 174 2PY 0.00348 -0.00024 -0.00004 -0.00020 0.00006 175 2PZ -0.00841 -0.00017 0.00010 0.00011 -0.00029 176 3S 0.00352 0.00052 -0.00031 -0.00026 0.00027 177 3PX 0.00239 0.00000 0.00001 -0.00012 0.00013 178 3PY -0.00241 0.00004 0.00003 -0.00003 0.00009 179 3PZ -0.00790 -0.00057 0.00029 0.00067 -0.00047 180 4XX -0.00016 -0.00011 0.00009 0.00013 -0.00005 181 4YY 0.00015 0.00000 -0.00002 0.00000 0.00001 182 4ZZ -0.00013 0.00010 -0.00006 -0.00011 0.00004 183 4XY -0.00083 0.00006 -0.00004 -0.00008 0.00006 184 4XZ 0.00039 0.00001 -0.00002 -0.00001 0.00002 185 4YZ -0.00205 0.00009 -0.00003 -0.00004 0.00007 186 22 H 1S -0.00085 -0.00050 0.00037 0.00047 -0.00021 187 2S -0.00355 -0.00101 0.00070 0.00082 -0.00047 188 23 H 1S -0.00142 0.00039 -0.00023 -0.00041 0.00014 189 2S 0.00371 0.00096 -0.00051 -0.00114 0.00053 31 32 33 34 35 31 4XZ 0.00067 32 4YZ -0.00028 0.00117 33 4 H 1S -0.00829 0.01086 0.21693 34 2S -0.00609 0.01061 0.17899 0.17165 35 5 C 1S -0.00058 0.00017 0.01228 0.01464 2.05271 36 2S 0.00150 0.00012 -0.02562 -0.02568 -0.06212 37 2PX 0.00063 -0.00004 -0.01877 -0.03390 -0.00133 38 2PY -0.00312 0.00019 0.04292 0.08630 -0.00054 39 2PZ -0.00044 0.01359 0.01323 0.03947 -0.00083 40 3S 0.00359 -0.00426 -0.06037 -0.06760 -0.16068 41 3PX 0.00029 0.00436 0.00248 0.00573 -0.00664 42 3PY -0.00186 0.00192 0.01991 0.03826 -0.00379 43 3PZ -0.00022 0.00546 -0.00275 0.00232 0.00493 44 4XX 0.00000 -0.00020 0.00082 0.00161 -0.01431 45 4YY -0.00023 0.00009 0.00184 -0.00153 -0.01700 46 4ZZ -0.00005 -0.00003 0.00080 0.00193 -0.01611 47 4XY 0.00005 -0.00050 -0.00512 -0.00529 -0.00088 48 4XZ 0.00004 0.00011 0.00001 -0.00049 0.00454 49 4YZ -0.00011 0.00081 0.00716 0.00782 0.00203 50 6 H 1S 0.00003 -0.00716 -0.02222 -0.02568 -0.06016 51 2S -0.00048 -0.00783 -0.02568 -0.03291 -0.01304 52 7 C 1S 0.00009 -0.00116 -0.00753 -0.01234 0.01788 53 2S -0.00017 0.00223 0.01707 0.02409 -0.03383 54 2PX -0.00174 0.01077 0.03033 0.06566 -0.05518 55 2PY -0.00001 -0.00219 -0.01508 -0.03038 0.03898 56 2PZ 0.00049 0.00079 -0.01498 -0.02986 0.04366 57 3S -0.00037 0.00432 0.04152 0.04888 -0.00916 58 3PX -0.00134 0.00703 0.02564 0.04374 -0.01232 59 3PY 0.00020 -0.00146 -0.00657 -0.01570 0.00983 60 3PZ 0.00042 0.00175 -0.01357 -0.01524 0.00437 61 4XX 0.00001 0.00032 0.00034 0.00110 -0.00197 62 4YY 0.00009 -0.00012 -0.00257 -0.00387 0.00154 63 4ZZ 0.00001 -0.00047 0.00002 -0.00050 0.00016 64 4XY -0.00005 -0.00023 0.00086 0.00038 0.00333 65 4XZ 0.00004 -0.00001 -0.00030 -0.00117 0.00415 66 4YZ 0.00004 0.00003 -0.00058 -0.00018 -0.00298 67 8 H 1S 0.00028 -0.00090 -0.00941 -0.01833 0.01210 68 2S 0.00048 -0.00055 -0.02008 -0.02681 0.01361 69 9 C 1S -0.00009 0.00021 -0.00090 -0.00047 -0.00300 70 2S 0.00017 -0.00066 0.00147 -0.00004 0.00649 71 2PX -0.00005 -0.00122 -0.00009 -0.00382 0.00839 72 2PY -0.00073 -0.00083 -0.00103 -0.00098 0.00132 73 2PZ 0.00000 0.00019 -0.00298 0.00410 -0.01207 74 3S 0.00079 -0.00336 0.00353 -0.00170 0.00759 75 3PX 0.00014 -0.00073 -0.00131 -0.00384 0.00454 76 3PY -0.00102 -0.00067 0.00022 0.00066 0.00412 77 3PZ 0.00002 0.00060 -0.00069 0.00422 -0.00802 78 4XX -0.00003 0.00020 0.00044 0.00114 -0.00114 79 4YY -0.00001 0.00000 -0.00008 -0.00033 0.00068 80 4ZZ 0.00002 -0.00013 0.00018 -0.00007 -0.00030 81 4XY 0.00002 0.00000 -0.00020 -0.00068 0.00024 82 4XZ 0.00004 -0.00038 -0.00062 -0.00148 0.00130 83 4YZ -0.00018 0.00006 0.00110 0.00253 -0.00054 84 10 H 1S -0.00023 -0.00150 -0.00063 -0.00023 0.00158 85 2S -0.00036 -0.00143 -0.00022 -0.00045 0.00142 86 11 H 1S -0.00035 0.00131 0.00342 0.01033 -0.00760 87 2S -0.00060 0.00304 0.00712 0.01815 -0.01117 88 12 C 1S 0.00073 -0.00027 -0.00710 -0.00909 -0.00266 89 2S -0.00157 0.00069 0.01561 0.02150 0.00479 90 2PX -0.00130 0.00014 0.01139 0.02685 0.00207 91 2PY 0.00115 0.00024 -0.01103 -0.01586 0.00390 92 2PZ 0.00608 -0.00073 -0.03376 -0.06651 -0.00786 93 3S -0.00279 0.00356 0.04178 0.05148 0.01324 94 3PX -0.00060 0.00016 0.00465 0.01223 0.00106 95 3PY 0.00025 -0.00023 -0.01301 -0.01565 0.00348 96 3PZ 0.00305 -0.00127 -0.02992 -0.04623 -0.00485 97 4XX 0.00013 -0.00012 -0.00119 -0.00276 -0.00029 98 4YY 0.00017 -0.00008 0.00007 -0.00017 -0.00010 99 4ZZ -0.00024 0.00004 -0.00017 0.00100 0.00024 100 4XY 0.00004 0.00002 -0.00039 -0.00092 0.00007 101 4XZ 0.00023 0.00032 0.00149 0.00196 -0.00019 102 4YZ -0.00012 -0.00005 0.00084 0.00199 -0.00020 103 13 H 1S 0.00073 -0.00083 -0.00882 -0.02288 -0.00059 104 2S 0.00081 -0.00266 -0.02135 -0.03822 -0.00092 105 14 H 1S 0.00133 0.00077 -0.00035 -0.00361 -0.00137 106 2S 0.00150 0.00146 -0.00122 -0.00329 -0.00228 107 15 C 1S -0.00039 -0.00066 -0.00015 -0.00151 -0.00069 108 2S 0.00088 0.00094 -0.00040 0.00011 0.00058 109 2PX 0.00047 0.00435 0.00506 0.01519 0.00296 110 2PY -0.00018 -0.00115 -0.00070 -0.00607 0.00009 111 2PZ -0.00039 0.00363 0.00683 0.00960 0.00128 112 3S 0.00036 0.00242 0.00375 0.00974 0.00390 113 3PX 0.00043 0.00314 0.00142 0.00674 0.00128 114 3PY -0.00057 -0.00124 0.00190 -0.00052 0.00151 115 3PZ -0.00028 0.00359 0.01246 0.01875 0.00188 116 4XX -0.00007 0.00014 0.00035 0.00029 -0.00022 117 4YY 0.00004 -0.00004 -0.00008 -0.00018 -0.00006 118 4ZZ -0.00001 -0.00009 0.00003 0.00021 -0.00029 119 4XY 0.00000 -0.00001 0.00004 -0.00046 0.00007 120 4XZ -0.00003 0.00009 -0.00002 0.00056 0.00015 121 4YZ 0.00008 0.00002 -0.00023 -0.00024 0.00021 122 16 H 1S 0.00068 -0.00058 -0.00193 -0.00036 0.00040 123 2S 0.00025 -0.00089 0.00431 0.00493 0.00059 124 17 C 1S -0.00014 -0.00012 -0.00005 0.00057 -0.00178 125 2S 0.00022 0.00031 -0.00019 -0.00102 0.00265 126 2PX 0.00094 0.00042 -0.00043 -0.00603 0.00504 127 2PY -0.00027 0.00109 0.00075 0.00443 0.00169 128 2PZ 0.00048 -0.00030 -0.00028 -0.00381 0.00224 129 3S 0.00100 0.00083 -0.00198 -0.00657 0.00363 130 3PX 0.00051 -0.00006 0.00182 -0.00102 0.00660 131 3PY -0.00015 0.00064 0.00061 0.00091 0.00256 132 3PZ 0.00056 -0.00063 -0.00423 -0.00982 0.00154 133 4XX -0.00002 -0.00018 -0.00016 -0.00018 -0.00079 134 4YY 0.00003 0.00004 -0.00019 -0.00042 -0.00013 135 4ZZ -0.00004 0.00003 -0.00006 0.00012 -0.00029 136 4XY 0.00000 -0.00028 -0.00041 -0.00103 0.00016 137 4XZ 0.00003 -0.00011 -0.00004 -0.00048 0.00048 138 4YZ 0.00001 -0.00028 -0.00040 -0.00077 -0.00029 139 18 H 1S -0.00016 0.00122 0.00096 0.00362 0.00082 140 2S -0.00024 0.00070 -0.00009 0.00234 0.00004 141 19 O 1S 0.00007 0.00018 0.00019 0.00148 0.00003 142 2S -0.00008 -0.00030 0.00028 -0.00269 0.00010 143 2PX -0.00035 -0.00254 -0.00315 -0.00743 -0.00146 144 2PY 0.00047 0.00052 -0.00016 -0.00121 -0.00082 145 2PZ -0.00009 -0.00236 -0.00406 -0.00155 -0.00083 146 3S -0.00016 -0.00123 -0.00398 -0.00954 -0.00063 147 3PX -0.00017 -0.00240 -0.00455 -0.00838 -0.00134 148 3PY 0.00034 0.00032 -0.00078 -0.00169 -0.00076 149 3PZ -0.00012 -0.00209 -0.00269 -0.00187 -0.00103 150 4XX 0.00000 0.00014 0.00029 0.00063 0.00009 151 4YY 0.00002 0.00005 0.00012 0.00018 0.00004 152 4ZZ -0.00001 -0.00008 0.00003 -0.00002 0.00015 153 4XY 0.00000 -0.00010 -0.00020 -0.00051 -0.00003 154 4XZ -0.00002 0.00002 0.00012 0.00021 -0.00002 155 4YZ -0.00001 -0.00002 0.00002 0.00026 0.00002 156 20 O 1S 0.00004 0.00002 -0.00010 -0.00077 0.00025 157 2S -0.00009 0.00007 0.00005 0.00191 -0.00130 158 2PX -0.00051 0.00033 0.00034 0.00460 -0.00318 159 2PY 0.00026 -0.00006 -0.00007 -0.00423 -0.00082 160 2PZ -0.00007 -0.00020 -0.00141 -0.00301 -0.00062 161 3S -0.00022 -0.00067 0.00234 0.00492 0.00114 162 3PX -0.00043 0.00025 0.00114 0.00487 -0.00189 163 3PY 0.00024 0.00007 -0.00026 -0.00316 -0.00093 164 3PZ -0.00015 -0.00008 -0.00127 -0.00200 -0.00173 165 4XX 0.00002 0.00004 -0.00010 -0.00028 -0.00008 166 4YY 0.00000 0.00003 -0.00015 0.00000 -0.00033 167 4ZZ -0.00001 0.00008 0.00007 0.00022 -0.00035 168 4XY 0.00002 -0.00001 -0.00012 -0.00030 0.00003 169 4XZ 0.00001 -0.00001 -0.00005 -0.00015 -0.00017 170 4YZ 0.00000 -0.00005 -0.00001 -0.00001 0.00007 171 21 C 1S -0.00009 -0.00010 0.00003 -0.00020 -0.00034 172 2S 0.00011 0.00026 0.00031 0.00145 0.00067 173 2PX 0.00022 0.00037 0.00016 0.00178 0.00090 174 2PY -0.00024 -0.00019 -0.00010 -0.00108 0.00109 175 2PZ -0.00014 -0.00024 0.00118 0.00027 0.00032 176 3S 0.00021 0.00048 0.00014 0.00175 0.00165 177 3PX 0.00011 0.00014 -0.00114 -0.00061 -0.00030 178 3PY -0.00008 0.00011 0.00068 0.00008 0.00028 179 3PZ -0.00021 -0.00057 0.00049 0.00033 -0.00027 180 4XX -0.00004 -0.00009 -0.00009 -0.00015 -0.00023 181 4YY 0.00002 -0.00002 -0.00008 -0.00005 0.00009 182 4ZZ 0.00001 0.00010 0.00028 0.00025 0.00007 183 4XY -0.00002 0.00010 0.00019 0.00050 -0.00002 184 4XZ 0.00000 0.00001 0.00003 0.00001 0.00002 185 4YZ 0.00001 0.00012 0.00017 0.00019 -0.00011 186 22 H 1S -0.00017 -0.00044 -0.00069 -0.00123 -0.00095 187 2S -0.00026 -0.00086 -0.00181 -0.00268 -0.00200 188 23 H 1S 0.00006 0.00038 0.00108 0.00094 0.00063 189 2S 0.00017 0.00089 0.00129 0.00053 0.00066 36 37 38 39 40 36 2S 0.32494 37 2PX -0.00225 0.36898 38 2PY -0.00162 0.00012 0.41333 39 2PZ 0.00778 -0.03329 0.00267 0.39025 40 3S 0.24767 0.01951 -0.01119 -0.02948 0.25018 41 3PX 0.02275 0.18143 0.01271 0.07530 0.00525 42 3PY 0.01624 0.01319 0.13843 0.02582 -0.00771 43 3PZ -0.01455 0.05971 0.00575 0.16798 -0.01272 44 4XX -0.00947 -0.00802 0.00593 -0.00342 -0.00562 45 4YY -0.00307 0.00430 -0.01307 -0.00043 -0.00310 46 4ZZ -0.00535 0.00687 0.01026 -0.00255 -0.00247 47 4XY 0.00123 0.00497 -0.00022 -0.01075 0.00262 48 4XZ -0.00944 -0.00067 -0.00920 0.00216 -0.00814 49 4YZ -0.00343 -0.00949 -0.00200 0.01031 -0.00707 50 6 H 1S 0.11225 0.13257 0.13097 -0.18738 0.11510 51 2S 0.02497 0.12143 0.11804 -0.18078 0.05424 52 7 C 1S -0.03602 0.05995 -0.03613 -0.04300 0.01168 53 2S 0.06174 -0.12174 0.07520 0.08348 0.01679 54 2PX 0.11755 0.00682 0.13511 0.24272 0.04595 55 2PY -0.07530 0.13770 -0.05046 -0.06390 -0.10473 56 2PZ -0.08984 0.21186 -0.08001 -0.01523 -0.05023 57 3S 0.03345 -0.13121 0.04985 0.09075 -0.02640 58 3PX 0.03511 0.04966 0.06227 0.12918 -0.00780 59 3PY -0.02568 0.05349 -0.00530 -0.02374 -0.01874 60 3PZ -0.01210 0.09572 -0.03263 0.02869 -0.00660 61 4XX 0.00318 0.01089 0.00515 0.00702 0.00432 62 4YY -0.00340 0.00156 -0.01233 -0.00146 -0.00598 63 4ZZ -0.00117 -0.00181 0.00100 -0.01328 0.00227 64 4XY -0.00664 0.00346 0.00262 -0.00805 -0.00401 65 4XZ -0.00767 0.00322 -0.00661 -0.00047 -0.00599 66 4YZ 0.00598 -0.00805 -0.00169 0.00180 0.00435 67 8 H 1S -0.02453 0.02457 -0.03572 -0.01202 -0.06201 68 2S -0.02471 0.04786 -0.07137 -0.01048 -0.05923 69 9 C 1S 0.00562 -0.00513 0.00154 0.01145 0.00523 70 2S -0.01506 0.01443 -0.00588 -0.02806 -0.00898 71 2PX -0.02186 -0.00069 -0.01085 -0.03289 -0.02773 72 2PY -0.00322 0.00232 0.00421 -0.00692 0.00914 73 2PZ 0.03131 -0.04903 0.00698 0.02306 0.00222 74 3S -0.01647 -0.00177 0.01091 -0.07812 0.01676 75 3PX -0.00902 -0.00130 -0.00744 -0.01494 -0.00631 76 3PY -0.00875 0.00737 0.00454 -0.02099 -0.01093 77 3PZ 0.01862 -0.04077 -0.00840 0.02255 -0.00613 78 4XX 0.00235 0.00085 0.00218 0.00525 0.00156 79 4YY -0.00152 0.00310 -0.00171 -0.00200 -0.00276 80 4ZZ 0.00017 -0.00630 0.00096 -0.00132 0.00089 81 4XY -0.00072 0.00134 0.00013 0.00013 -0.00124 82 4XZ -0.00293 -0.00156 -0.00303 -0.00929 -0.00204 83 4YZ 0.00140 -0.00383 0.00172 0.00056 -0.00074 84 10 H 1S -0.00349 -0.02930 -0.00310 -0.02867 -0.01232 85 2S -0.00406 -0.02922 0.00012 -0.02535 -0.01124 86 11 H 1S 0.01927 -0.00238 0.01530 0.03244 0.01772 87 2S 0.02905 0.00199 0.02101 0.07099 0.02307 88 12 C 1S 0.00503 -0.00128 -0.00376 0.00576 0.01091 89 2S -0.00883 -0.00214 0.00682 -0.01506 -0.02104 90 2PX -0.00443 -0.00675 0.00764 -0.00880 -0.01315 91 2PY -0.00856 0.02847 -0.01156 -0.00382 -0.01911 92 2PZ 0.01255 0.01136 -0.02369 0.02035 0.07869 93 3S -0.02299 0.02356 0.03026 -0.00941 -0.06110 94 3PX -0.00172 -0.00053 0.00185 -0.00169 -0.00822 95 3PY -0.00738 0.02759 -0.00886 0.00192 -0.01693 96 3PZ 0.00736 0.00621 -0.02434 0.00455 0.04096 97 4XX 0.00034 0.00036 0.00022 0.00077 0.00343 98 4YY 0.00024 -0.00060 -0.00192 -0.00177 0.00111 99 4ZZ -0.00041 -0.00010 0.00197 0.00059 -0.00284 100 4XY -0.00036 0.00023 -0.00099 -0.00059 -0.00078 101 4XZ 0.00044 0.00102 -0.00088 0.00064 0.00001 102 4YZ 0.00082 -0.00129 0.00014 0.00008 -0.00127 103 13 H 1S 0.00017 -0.00194 -0.00229 -0.00063 0.01950 104 2S -0.00025 -0.00538 -0.00699 -0.00768 0.02805 105 14 H 1S 0.00184 0.00286 0.00017 0.00658 0.02054 106 2S 0.00336 0.01503 0.00379 0.01957 0.01844 107 15 C 1S 0.00137 -0.01088 -0.00261 -0.00737 0.00208 108 2S -0.00173 0.02271 0.00401 0.01700 0.00403 109 2PX -0.00818 0.07789 0.01578 0.05638 -0.03499 110 2PY 0.00136 -0.01169 -0.00431 -0.01182 0.00091 111 2PZ -0.00389 0.05914 0.01023 0.04336 -0.02194 112 3S -0.00675 0.05245 0.01285 0.03688 -0.01677 113 3PX -0.00636 0.05993 0.01206 0.04013 -0.01880 114 3PY -0.00183 -0.02895 -0.00203 -0.02429 -0.00027 115 3PZ -0.00092 0.04680 0.01426 0.04468 -0.02379 116 4XX 0.00029 -0.00077 -0.00019 0.00000 -0.00100 117 4YY 0.00020 0.00040 -0.00036 0.00041 -0.00034 118 4ZZ 0.00039 -0.00168 -0.00028 -0.00081 0.00146 119 4XY -0.00073 0.00112 0.00003 -0.00003 0.00061 120 4XZ -0.00017 0.00113 0.00034 0.00070 -0.00230 121 4YZ -0.00062 0.00166 0.00047 0.00061 -0.00015 122 16 H 1S -0.00107 -0.00590 0.00079 -0.00432 0.00816 123 2S -0.00060 -0.02537 0.00060 -0.01694 0.00621 124 17 C 1S 0.00269 -0.00921 -0.00007 -0.00380 0.00663 125 2S -0.00452 0.02103 -0.00007 0.01060 -0.01532 126 2PX -0.01913 0.03140 0.00231 0.00563 0.01122 127 2PY -0.00504 0.01828 0.00154 0.01160 -0.00908 128 2PZ -0.00608 0.00587 0.00214 -0.00872 -0.00476 129 3S -0.01132 0.05411 -0.00003 0.02774 -0.00276 130 3PX -0.01009 0.00589 0.00333 -0.00105 0.00181 131 3PY -0.00678 0.01972 -0.00118 0.01112 -0.00727 132 3PZ -0.01149 0.02481 0.00226 -0.00961 0.00403 133 4XX 0.00083 -0.00599 -0.00039 -0.00412 -0.00147 134 4YY -0.00023 0.00213 -0.00021 0.00110 0.00113 135 4ZZ 0.00012 0.00134 -0.00021 0.00081 0.00125 136 4XY -0.00026 -0.00434 -0.00101 -0.00387 0.00143 137 4XZ -0.00093 -0.00196 -0.00047 -0.00188 0.00108 138 4YZ 0.00044 -0.00518 -0.00091 -0.00431 0.00187 139 18 H 1S -0.00296 0.02685 0.00213 0.02062 -0.00646 140 2S -0.00131 0.01973 0.00414 0.00500 -0.00194 141 19 O 1S 0.00038 0.00238 0.00041 0.00198 -0.00543 142 2S -0.00105 -0.00425 -0.00032 -0.00298 0.01364 143 2PX 0.00391 -0.04307 -0.00711 -0.03019 0.02280 144 2PY -0.00068 0.00106 -0.00081 0.00202 0.01674 145 2PZ 0.00295 -0.03266 -0.00413 -0.02211 0.01057 146 3S -0.00216 -0.01708 -0.00386 -0.01805 0.01899 147 3PX 0.00260 -0.03882 -0.00824 -0.03036 0.01860 148 3PY -0.00014 0.00035 -0.00030 0.00159 0.01305 149 3PZ 0.00345 -0.03018 -0.00422 -0.01989 0.01222 150 4XX -0.00010 0.00275 0.00069 0.00236 -0.00049 151 4YY 0.00005 0.00045 0.00012 0.00073 0.00033 152 4ZZ -0.00011 -0.00128 0.00009 -0.00097 -0.00011 153 4XY 0.00009 -0.00141 -0.00026 -0.00123 0.00099 154 4XZ 0.00004 0.00041 0.00002 0.00035 -0.00059 155 4YZ -0.00009 -0.00003 0.00013 -0.00002 -0.00005 156 20 O 1S -0.00140 0.00322 -0.00047 0.00086 0.00078 157 2S 0.00318 -0.00264 0.00154 0.00028 -0.00744 158 2PX 0.01247 -0.00855 0.00185 0.00691 0.01279 159 2PY -0.00223 0.00005 0.00070 0.00066 0.03841 160 2PZ 0.00104 -0.00173 -0.00194 0.00447 0.04591 161 3S 0.00790 -0.03879 0.00181 -0.01431 0.00172 162 3PX 0.01051 -0.01373 0.00021 0.00371 0.01077 163 3PY -0.00179 0.00431 0.00013 0.00182 0.02534 164 3PZ 0.00208 0.00205 -0.00176 0.00527 0.03153 165 4XX -0.00055 0.00231 0.00019 0.00100 0.00069 166 4YY -0.00005 0.00142 0.00003 0.00070 -0.00216 167 4ZZ 0.00000 0.00131 0.00040 0.00115 -0.00044 168 4XY -0.00064 0.00060 -0.00017 -0.00032 0.00003 169 4XZ -0.00006 0.00018 -0.00001 -0.00009 0.00101 170 4YZ 0.00021 -0.00132 -0.00016 -0.00089 -0.00164 171 21 C 1S 0.00050 -0.00187 0.00057 -0.00049 0.00279 172 2S -0.00179 0.00526 -0.00021 0.00169 -0.00557 173 2PX -0.00226 0.00498 -0.00063 0.00144 -0.01186 174 2PY -0.00157 0.00105 -0.00156 -0.00200 -0.00972 175 2PZ 0.00003 -0.00697 -0.00135 -0.00801 -0.00520 176 3S -0.00332 0.01105 -0.00435 0.00236 -0.00762 177 3PX 0.00055 0.00235 -0.00139 0.00356 -0.00087 178 3PY -0.00057 0.00143 -0.00024 0.00168 0.00170 179 3PZ 0.00123 -0.01152 -0.00190 -0.00959 0.00310 180 4XX 0.00067 -0.00161 0.00012 -0.00048 0.00207 181 4YY -0.00031 0.00023 -0.00001 0.00004 0.00078 182 4ZZ -0.00029 0.00127 0.00012 0.00031 -0.00282 183 4XY 0.00031 0.00120 0.00028 0.00135 -0.00118 184 4XZ -0.00015 0.00061 0.00025 0.00047 0.00047 185 4YZ 0.00011 0.00132 0.00029 0.00149 0.00190 186 22 H 1S 0.00273 -0.00764 -0.00023 -0.00254 0.01094 187 2S 0.00547 -0.01687 -0.00112 -0.00557 0.01805 188 23 H 1S -0.00138 0.00489 0.00007 0.00086 -0.01211 189 2S -0.00225 0.01326 0.00430 0.00875 -0.01746 41 42 43 44 45 41 3PX 0.12006 42 3PY 0.02130 0.06239 43 3PZ 0.06582 0.01398 0.09333 44 4XX -0.00525 -0.00006 -0.00247 0.00092 45 4YY 0.00157 -0.00297 0.00079 -0.00023 0.00114 46 4ZZ 0.00263 0.00301 0.00047 0.00022 -0.00019 47 4XY -0.00017 0.00038 -0.00331 -0.00019 0.00000 48 4XZ -0.00040 -0.00261 0.00110 0.00007 0.00048 49 4YZ -0.00159 0.00071 0.00212 -0.00003 0.00014 50 6 H 1S 0.03238 0.03918 -0.05969 -0.00193 -0.00405 51 2S 0.01784 0.02563 -0.05144 0.00068 -0.00360 52 7 C 1S 0.00741 -0.00604 0.00477 -0.00161 0.00119 53 2S -0.03366 0.00946 0.00609 0.00279 -0.00345 54 2PX 0.07513 0.09231 0.09996 -0.00835 -0.00222 55 2PY 0.06141 0.00978 -0.00559 -0.00424 0.01330 56 2PZ 0.09003 -0.03203 0.03874 -0.00522 0.00248 57 3S -0.02879 0.00106 0.00191 0.00398 -0.00289 58 3PX 0.06570 0.05176 0.06101 -0.00568 0.00024 59 3PY 0.01754 0.00219 0.00261 -0.00159 0.00408 60 3PZ 0.05085 0.00022 0.03335 -0.00484 0.00199 61 4XX 0.00752 0.00330 0.00593 -0.00025 -0.00020 62 4YY 0.00073 -0.00312 -0.00082 -0.00024 0.00096 63 4ZZ -0.00472 -0.00133 -0.00632 0.00024 -0.00037 64 4XY -0.00041 -0.00005 -0.00232 0.00028 -0.00009 65 4XZ 0.00116 -0.00283 0.00064 0.00010 0.00031 66 4YZ -0.00322 0.00033 -0.00095 -0.00001 -0.00002 67 8 H 1S 0.01714 -0.00228 -0.00668 -0.00145 0.00805 68 2S 0.02899 -0.00590 -0.00120 -0.00308 0.00888 69 9 C 1S -0.00086 0.00402 0.00806 -0.00046 0.00081 70 2S -0.00034 -0.00848 -0.01523 0.00036 -0.00158 71 2PX -0.00832 -0.02932 -0.02852 0.00027 -0.00138 72 2PY -0.00778 0.00643 -0.00237 0.00009 -0.00124 73 2PZ -0.01028 0.03196 -0.00725 -0.00132 0.00396 74 3S -0.02536 -0.02145 -0.03854 0.00276 -0.00434 75 3PX -0.00639 -0.01539 -0.01190 0.00006 -0.00070 76 3PY -0.00283 0.00707 -0.00932 -0.00008 0.00008 77 3PZ -0.00785 0.01124 -0.00485 -0.00041 0.00203 78 4XX 0.00185 0.00296 0.00260 -0.00019 0.00007 79 4YY 0.00146 0.00003 -0.00033 -0.00015 0.00035 80 4ZZ -0.00367 -0.00188 -0.00192 0.00036 -0.00033 81 4XY 0.00086 -0.00104 -0.00037 -0.00004 0.00002 82 4XZ -0.00284 -0.00236 -0.00494 0.00027 0.00010 83 4YZ -0.00128 0.00183 -0.00127 0.00005 -0.00011 84 10 H 1S -0.01933 -0.00435 -0.03019 0.00081 -0.00014 85 2S -0.01783 -0.00455 -0.02563 0.00164 -0.00012 86 11 H 1S 0.00664 0.02871 0.01869 -0.00089 0.00033 87 2S 0.01663 0.03778 0.03883 -0.00252 0.00077 88 12 C 1S -0.00010 -0.00350 0.00342 0.00000 -0.00020 89 2S -0.00217 0.00598 -0.00989 0.00002 0.00036 90 2PX -0.00581 0.01728 -0.00098 -0.00032 -0.00066 91 2PY 0.01993 -0.00704 0.00329 -0.00082 0.00190 92 2PZ -0.00219 -0.02453 0.03395 -0.00066 0.00059 93 3S 0.01894 0.02949 -0.00431 -0.00151 0.00205 94 3PX -0.00077 0.00913 0.00001 -0.00052 0.00004 95 3PY 0.01747 -0.00052 0.00539 -0.00108 0.00223 96 3PZ -0.00206 -0.01700 0.01557 -0.00033 0.00057 97 4XX -0.00067 -0.00109 0.00114 0.00006 0.00000 98 4YY -0.00062 -0.00183 -0.00139 0.00004 -0.00008 99 4ZZ 0.00075 0.00254 0.00033 -0.00006 0.00004 100 4XY 0.00013 -0.00123 -0.00081 -0.00002 0.00002 101 4XZ 0.00164 0.00060 0.00083 -0.00009 -0.00005 102 4YZ 0.00001 0.00085 -0.00131 -0.00003 0.00008 103 13 H 1S -0.00706 -0.01410 0.00036 0.00055 0.00013 104 2S -0.01622 -0.02158 -0.00403 0.00080 0.00006 105 14 H 1S -0.00048 0.00487 0.01533 -0.00054 -0.00031 106 2S 0.01194 0.00768 0.02316 -0.00055 -0.00064 107 15 C 1S -0.00807 -0.00240 -0.00512 -0.00017 -0.00007 108 2S 0.01432 0.00316 0.01319 0.00011 0.00011 109 2PX 0.07611 0.02121 0.03850 0.00104 -0.00086 110 2PY -0.01110 0.00161 -0.01334 -0.00106 0.00089 111 2PZ 0.05781 0.01051 0.03313 0.00011 -0.00024 112 3S 0.04054 0.01633 0.02597 0.00024 0.00068 113 3PX 0.05298 0.01498 0.03152 -0.00003 -0.00029 114 3PY -0.02564 0.00051 -0.01799 -0.00019 0.00078 115 3PZ 0.04993 0.01451 0.02778 -0.00002 -0.00031 116 4XX 0.00035 0.00038 0.00045 -0.00005 0.00003 117 4YY 0.00066 -0.00015 -0.00027 0.00002 0.00000 118 4ZZ -0.00195 -0.00056 -0.00077 -0.00002 -0.00001 119 4XY 0.00073 -0.00100 0.00075 0.00027 -0.00012 120 4XZ 0.00173 0.00120 -0.00001 -0.00005 0.00001 121 4YZ 0.00124 -0.00023 0.00098 0.00026 -0.00010 122 16 H 1S -0.00940 -0.00346 -0.00178 0.00094 -0.00043 123 2S -0.02185 -0.00530 -0.01227 0.00117 -0.00052 124 17 C 1S -0.00953 0.00149 -0.00354 -0.00071 0.00004 125 2S 0.02246 -0.00029 0.00662 0.00088 -0.00016 126 2PX 0.02176 -0.01368 0.02089 0.00528 -0.00263 127 2PY 0.01858 -0.00232 0.01561 0.00106 -0.00085 128 2PZ 0.01013 -0.00716 0.00055 0.00439 -0.00130 129 3S 0.04302 -0.01049 0.02496 0.00170 -0.00169 130 3PX 0.00797 -0.00917 0.00564 0.00394 -0.00184 131 3PY 0.01496 -0.00065 0.01186 0.00084 0.00011 132 3PZ 0.01284 -0.00991 0.00644 0.00307 -0.00116 133 4XX -0.00315 -0.00123 -0.00386 0.00026 -0.00010 134 4YY 0.00075 0.00027 0.00119 -0.00010 0.00008 135 4ZZ 0.00016 0.00052 0.00130 -0.00016 0.00007 136 4XY -0.00423 -0.00158 -0.00243 0.00005 0.00004 137 4XZ -0.00207 -0.00124 -0.00099 0.00017 -0.00010 138 4YZ -0.00492 -0.00050 -0.00297 0.00001 0.00007 139 18 H 1S 0.02164 0.00338 0.01694 -0.00102 0.00002 140 2S 0.01157 0.00512 0.00927 -0.00140 0.00026 141 19 O 1S 0.00314 0.00232 0.00044 0.00000 -0.00004 142 2S -0.00674 -0.00621 0.00084 0.00009 0.00004 143 2PX -0.04395 -0.01554 -0.02320 -0.00031 0.00041 144 2PY -0.00763 -0.00399 0.01236 -0.00001 -0.00024 145 2PZ -0.03171 -0.00337 -0.02613 -0.00068 0.00034 146 3S -0.01955 -0.00642 -0.00831 -0.00044 0.00028 147 3PX -0.03928 -0.01313 -0.02233 -0.00021 0.00032 148 3PY -0.00580 -0.00228 0.00878 -0.00012 -0.00018 149 3PZ -0.02970 -0.00475 -0.02176 -0.00053 0.00030 150 4XX 0.00242 0.00064 0.00161 0.00002 -0.00002 151 4YY 0.00017 -0.00018 0.00088 0.00002 -0.00002 152 4ZZ -0.00105 -0.00029 -0.00081 0.00007 -0.00002 153 4XY -0.00170 -0.00061 -0.00084 -0.00003 0.00003 154 4XZ 0.00058 0.00016 0.00001 -0.00001 0.00000 155 4YZ -0.00005 -0.00005 -0.00032 0.00003 -0.00002 156 20 O 1S 0.00142 -0.00426 0.00192 0.00007 -0.00006 157 2S 0.00209 0.00990 -0.00329 -0.00017 0.00022 158 2PX -0.00825 0.01624 0.00868 -0.00236 0.00167 159 2PY -0.01578 0.00469 0.01120 -0.00046 -0.00015 160 2PZ -0.02065 0.00921 0.01861 -0.00184 0.00099 161 3S -0.02458 0.01278 -0.01834 -0.00011 0.00019 162 3PX -0.01130 0.01243 0.00390 -0.00200 0.00128 163 3PY -0.00766 0.00281 0.00920 -0.00036 -0.00012 164 3PZ -0.01292 0.00861 0.01395 -0.00202 0.00108 165 4XX 0.00148 -0.00013 0.00156 0.00013 -0.00005 166 4YY 0.00174 -0.00044 0.00007 0.00000 0.00002 167 4ZZ 0.00103 0.00032 0.00067 -0.00012 0.00001 168 4XY 0.00020 -0.00066 -0.00002 0.00009 -0.00007 169 4XZ -0.00032 -0.00012 0.00034 0.00002 -0.00001 170 4YZ -0.00030 -0.00037 -0.00151 0.00002 0.00000 171 21 C 1S -0.00244 0.00033 -0.00011 -0.00014 -0.00001 172 2S 0.00497 -0.00172 0.00179 0.00027 -0.00017 173 2PX 0.00679 -0.00379 0.00028 0.00038 -0.00030 174 2PY 0.00405 -0.00215 -0.00346 0.00025 0.00004 175 2PZ -0.00458 -0.00087 -0.00843 -0.00017 0.00010 176 3S 0.00958 -0.00351 0.00354 0.00052 -0.00031 177 3PX 0.00232 -0.00135 0.00239 0.00000 0.00001 178 3PY 0.00069 -0.00043 0.00244 -0.00003 -0.00003 179 3PZ -0.01176 -0.00035 -0.00790 -0.00058 0.00029 180 4XX -0.00195 0.00033 -0.00015 -0.00011 0.00009 181 4YY -0.00019 0.00022 0.00015 0.00000 -0.00002 182 4ZZ 0.00203 -0.00041 -0.00013 0.00010 -0.00006 183 4XY 0.00160 0.00109 0.00084 -0.00006 0.00004 184 4XZ 0.00030 0.00028 0.00039 0.00001 -0.00002 185 4YZ 0.00040 0.00074 0.00206 -0.00009 0.00003 186 22 H 1S -0.00934 0.00199 -0.00084 -0.00050 0.00037 187 2S -0.01869 0.00255 -0.00354 -0.00101 0.00070 188 23 H 1S 0.00798 -0.00185 -0.00144 0.00039 -0.00023 189 2S 0.01867 -0.00053 0.00367 0.00096 -0.00051 46 47 48 49 50 46 4ZZ 0.00089 47 4XY 0.00032 0.00095 48 4XZ -0.00026 -0.00017 0.00067 49 4YZ -0.00011 -0.00042 0.00028 0.00117 50 6 H 1S 0.00549 0.00786 -0.00826 -0.01088 0.21693 51 2S 0.00646 0.00774 -0.00606 -0.01063 0.17898 52 7 C 1S -0.00025 0.00373 0.00330 -0.00331 0.01338 53 2S 0.00008 -0.00670 -0.00638 0.00625 -0.02790 54 2PX 0.00220 -0.00236 -0.00298 0.00856 -0.03272 55 2PY -0.00190 -0.00166 0.00724 0.00164 0.00417 56 2PZ 0.01017 0.00837 -0.00073 -0.00097 0.03215 57 3S -0.00161 -0.00853 -0.00403 0.00761 -0.05771 58 3PX 0.00269 0.00000 -0.00055 0.00548 -0.01771 59 3PY 0.00056 -0.00028 0.00162 0.00013 0.01039 60 3PZ 0.00448 0.00454 -0.00042 0.00162 0.00732 61 4XX 0.00012 0.00005 -0.00004 -0.00034 0.00307 62 4YY -0.00047 -0.00024 0.00056 0.00029 -0.00534 63 4ZZ 0.00030 0.00056 -0.00018 -0.00043 0.00631 64 4XY 0.00028 0.00027 0.00003 -0.00026 0.00350 65 4XZ -0.00010 -0.00010 0.00045 -0.00003 -0.00386 66 4YZ -0.00044 -0.00010 0.00005 0.00013 -0.00212 67 8 H 1S -0.00272 -0.00412 0.00312 0.00350 -0.02289 68 2S -0.00329 -0.00216 0.00474 0.00264 -0.02757 69 9 C 1S -0.00156 -0.00080 0.00073 0.00027 -0.00710 70 2S 0.00302 0.00173 -0.00157 -0.00070 0.01561 71 2PX 0.00377 0.00102 -0.00129 -0.00015 0.01135 72 2PY 0.00210 0.00250 -0.00116 0.00023 0.01110 73 2PZ -0.00733 -0.00402 0.00607 0.00076 -0.03375 74 3S 0.00349 0.00173 -0.00278 -0.00357 0.04175 75 3PX 0.00170 0.00039 -0.00059 -0.00017 0.00460 76 3PY 0.00119 0.00210 -0.00026 -0.00024 0.01307 77 3PZ -0.00434 -0.00271 0.00304 0.00128 -0.02989 78 4XX -0.00013 -0.00006 0.00013 0.00012 -0.00119 79 4YY -0.00004 0.00000 0.00017 0.00008 0.00008 80 4ZZ 0.00002 -0.00010 -0.00024 -0.00004 -0.00017 81 4XY 0.00015 0.00001 -0.00004 0.00002 0.00038 82 4XZ -0.00019 -0.00001 0.00024 -0.00032 0.00149 83 4YZ -0.00019 -0.00008 0.00013 -0.00005 -0.00084 84 10 H 1S -0.00072 -0.00062 0.00133 -0.00076 -0.00034 85 2S -0.00169 -0.00141 0.00151 -0.00146 -0.00119 86 11 H 1S -0.00156 -0.00016 0.00073 0.00083 -0.00882 87 2S -0.00124 -0.00046 0.00081 0.00265 -0.02136 88 12 C 1S -0.00037 0.00004 -0.00009 -0.00021 -0.00090 89 2S 0.00057 -0.00041 0.00017 0.00066 0.00147 90 2PX 0.00085 0.00037 -0.00006 0.00122 -0.00009 91 2PY -0.00047 -0.00035 0.00073 -0.00083 0.00103 92 2PZ -0.00074 0.00159 0.00000 -0.00020 -0.00298 93 3S 0.00194 0.00049 0.00078 0.00335 0.00355 94 3PX 0.00043 0.00020 0.00014 0.00073 -0.00129 95 3PY -0.00055 -0.00016 0.00102 -0.00066 -0.00023 96 3PZ -0.00069 0.00145 0.00003 -0.00060 -0.00071 97 4XX -0.00005 -0.00006 -0.00003 -0.00020 0.00044 98 4YY 0.00000 -0.00012 -0.00001 0.00000 -0.00008 99 4ZZ 0.00005 0.00026 0.00002 0.00013 0.00018 100 4XY 0.00008 0.00008 -0.00002 0.00000 0.00020 101 4XZ 0.00006 0.00014 0.00004 0.00038 -0.00062 102 4YZ -0.00019 -0.00027 0.00018 0.00006 -0.00110 103 13 H 1S -0.00009 0.00000 -0.00035 -0.00131 0.00341 104 2S -0.00013 -0.00028 -0.00060 -0.00304 0.00712 105 14 H 1S 0.00070 0.00159 -0.00023 0.00150 -0.00062 106 2S 0.00071 0.00181 -0.00036 0.00143 -0.00020 107 15 C 1S -0.00009 0.00015 -0.00014 0.00012 -0.00005 108 2S 0.00012 -0.00040 0.00022 -0.00031 -0.00019 109 2PX -0.00078 -0.00032 0.00094 -0.00042 -0.00044 110 2PY 0.00044 0.00083 0.00028 0.00109 -0.00075 111 2PZ -0.00054 0.00062 0.00048 0.00030 -0.00029 112 3S -0.00088 -0.00199 0.00100 -0.00082 -0.00202 113 3PX -0.00002 0.00069 0.00051 0.00007 0.00181 114 3PY -0.00009 0.00034 0.00015 0.00064 -0.00061 115 3PZ -0.00039 -0.00057 0.00056 0.00064 -0.00425 116 4XX -0.00002 0.00023 -0.00002 0.00018 -0.00016 117 4YY -0.00001 -0.00009 0.00003 -0.00004 -0.00020 118 4ZZ 0.00004 -0.00008 -0.00005 -0.00003 -0.00006 119 4XY -0.00015 -0.00017 0.00000 -0.00028 0.00041 120 4XZ 0.00003 0.00010 0.00003 0.00011 -0.00004 121 4YZ -0.00014 -0.00021 -0.00001 -0.00028 0.00040 122 16 H 1S -0.00018 -0.00128 -0.00016 -0.00121 0.00095 123 2S -0.00024 -0.00125 -0.00024 -0.00070 -0.00011 124 17 C 1S -0.00029 0.00017 -0.00039 0.00067 -0.00016 125 2S 0.00024 -0.00054 0.00088 -0.00094 -0.00040 126 2PX -0.00291 -0.00296 0.00048 -0.00435 0.00504 127 2PY -0.00015 -0.00044 0.00018 -0.00114 0.00069 128 2PZ -0.00244 -0.00267 -0.00039 -0.00362 0.00681 129 3S 0.00040 -0.00083 0.00036 -0.00243 0.00377 130 3PX -0.00224 -0.00265 0.00043 -0.00313 0.00140 131 3PY -0.00090 -0.00134 0.00057 -0.00123 -0.00195 132 3PZ -0.00129 -0.00149 -0.00028 -0.00358 0.01246 133 4XX -0.00023 -0.00008 -0.00007 -0.00014 0.00035 134 4YY 0.00001 0.00001 0.00004 0.00004 -0.00008 135 4ZZ 0.00017 0.00011 -0.00001 0.00009 0.00003 136 4XY -0.00002 -0.00003 0.00000 -0.00001 -0.00004 137 4XZ -0.00012 -0.00007 -0.00003 -0.00009 -0.00002 138 4YZ 0.00000 -0.00001 -0.00008 0.00002 0.00023 139 18 H 1S 0.00110 0.00076 0.00068 0.00057 -0.00193 140 2S 0.00141 0.00166 0.00025 0.00089 0.00432 141 19 O 1S 0.00000 -0.00015 0.00004 -0.00002 -0.00010 142 2S -0.00012 0.00016 -0.00009 -0.00007 0.00005 143 2PX 0.00058 -0.00003 -0.00051 -0.00033 0.00034 144 2PY -0.00028 -0.00001 -0.00026 -0.00007 0.00008 145 2PZ 0.00066 -0.00025 -0.00007 0.00020 -0.00140 146 3S 0.00054 0.00178 -0.00022 0.00067 0.00235 147 3PX 0.00046 0.00025 -0.00043 -0.00026 0.00114 148 3PY -0.00004 0.00020 -0.00024 0.00007 0.00027 149 3PZ 0.00051 -0.00043 -0.00015 0.00008 -0.00126 150 4XX -0.00001 -0.00007 0.00002 -0.00004 -0.00010 151 4YY -0.00004 -0.00007 0.00000 -0.00003 -0.00015 152 4ZZ -0.00003 -0.00009 -0.00001 -0.00008 0.00007 153 4XY 0.00003 0.00002 -0.00002 -0.00001 0.00012 154 4XZ 0.00000 -0.00001 0.00001 0.00001 -0.00005 155 4YZ 0.00000 -0.00006 0.00000 -0.00005 0.00001 156 20 O 1S -0.00013 0.00001 0.00007 -0.00018 0.00019 157 2S 0.00056 0.00003 -0.00008 0.00030 0.00028 158 2PX 0.00254 0.00169 -0.00035 0.00253 -0.00314 159 2PY -0.00020 0.00006 -0.00047 0.00051 0.00017 160 2PZ 0.00209 0.00139 -0.00009 0.00235 -0.00405 161 3S 0.00009 -0.00011 -0.00016 0.00123 -0.00398 162 3PX 0.00180 0.00141 -0.00017 0.00239 -0.00455 163 3PY -0.00005 0.00014 -0.00034 0.00031 0.00079 164 3PZ 0.00199 0.00138 -0.00013 0.00209 -0.00269 165 4XX -0.00002 -0.00009 0.00000 -0.00014 0.00028 166 4YY 0.00003 0.00000 0.00002 -0.00005 0.00012 167 4ZZ 0.00007 0.00009 -0.00001 0.00008 0.00003 168 4XY -0.00009 -0.00005 0.00000 -0.00010 0.00020 169 4XZ -0.00003 -0.00001 -0.00002 -0.00002 0.00012 170 4YZ -0.00006 -0.00002 0.00001 -0.00002 -0.00002 171 21 C 1S -0.00005 0.00008 -0.00009 0.00010 0.00003 172 2S 0.00000 -0.00016 0.00011 -0.00026 0.00031 173 2PX -0.00020 -0.00013 0.00023 -0.00037 0.00016 174 2PY 0.00020 0.00006 0.00024 -0.00019 0.00010 175 2PZ 0.00011 0.00029 -0.00014 0.00024 0.00118 176 3S -0.00026 -0.00027 0.00021 -0.00048 0.00014 177 3PX -0.00012 -0.00013 0.00011 -0.00014 -0.00114 178 3PY 0.00002 0.00009 0.00008 0.00011 -0.00068 179 3PZ 0.00067 0.00046 -0.00021 0.00057 0.00049 180 4XX 0.00013 0.00005 -0.00004 0.00009 -0.00009 181 4YY 0.00000 -0.00001 0.00002 0.00001 -0.00008 182 4ZZ -0.00011 -0.00004 0.00001 -0.00009 0.00028 183 4XY 0.00008 0.00006 0.00002 0.00010 -0.00019 184 4XZ -0.00001 -0.00002 0.00000 -0.00001 0.00003 185 4YZ 0.00004 0.00007 -0.00001 0.00012 -0.00017 186 22 H 1S 0.00047 0.00021 -0.00017 0.00044 -0.00069 187 2S 0.00082 0.00047 -0.00027 0.00086 -0.00180 188 23 H 1S -0.00041 -0.00014 0.00006 -0.00038 0.00108 189 2S -0.00114 -0.00052 0.00017 -0.00089 0.00129 51 52 53 54 55 51 2S 0.17163 52 7 C 1S 0.01887 2.05499 53 2S -0.03228 -0.06133 0.32633 54 2PX -0.07741 -0.00315 0.00484 0.35438 55 2PY -0.00152 -0.00192 -0.00375 -0.02302 0.41150 56 2PZ 0.06794 0.00214 0.00093 -0.04004 -0.00391 57 3S -0.05898 -0.19786 0.29076 -0.01232 0.00350 58 3PX -0.03770 0.00758 -0.01606 0.19633 0.01982 59 3PY 0.01143 0.00759 0.00818 -0.00468 0.13001 60 3PZ 0.01286 0.00299 -0.00463 0.04846 0.01426 61 4XX 0.00157 -0.01132 -0.01296 0.00889 -0.00494 62 4YY -0.00514 -0.01838 0.00158 -0.00431 0.02196 63 4ZZ 0.00695 -0.01398 -0.00730 -0.00780 -0.01080 64 4XY 0.00520 0.00162 -0.00345 -0.00761 -0.00006 65 4XZ -0.00175 0.00249 -0.00560 -0.00455 0.00527 66 4YZ -0.00394 0.00080 -0.00152 0.00335 -0.00224 67 8 H 1S -0.02724 -0.05968 0.11295 -0.02950 0.26417 68 2S -0.03410 -0.01310 0.02596 -0.00936 0.24496 69 9 C 1S -0.00908 0.01252 -0.02296 0.02140 0.02961 70 2S 0.02150 -0.02336 0.03913 -0.04293 -0.05558 71 2PX 0.02678 -0.01703 0.03363 0.00058 -0.02747 72 2PY 0.01599 -0.02354 0.04878 -0.02060 -0.03175 73 2PZ -0.06648 0.06430 -0.13738 0.10092 0.12228 74 3S 0.05146 0.00259 0.02396 -0.09349 -0.11191 75 3PX 0.01217 -0.00270 0.01325 0.00002 -0.01603 76 3PY 0.01574 -0.00572 0.01151 -0.01361 0.00251 77 3PZ -0.04620 0.01308 -0.04401 0.04342 0.05786 78 4XX -0.00276 0.00197 -0.00451 0.00735 0.00167 79 4YY -0.00016 0.00080 -0.00221 0.00071 0.00983 80 4ZZ 0.00099 -0.00456 0.00847 -0.00572 -0.00740 81 4XY 0.00092 -0.00115 0.00204 0.00144 0.00102 82 4XZ 0.00197 0.00264 -0.00523 -0.00786 0.00344 83 4YZ -0.00199 0.00411 -0.00768 0.00393 -0.00339 84 10 H 1S -0.00359 0.00810 -0.02346 0.00300 0.00517 85 2S -0.00327 0.01255 -0.02989 -0.00777 0.01038 86 11 H 1S -0.02287 0.00809 -0.01963 0.02500 0.00186 87 2S -0.03821 0.01421 -0.02689 0.08196 0.01222 88 12 C 1S -0.00047 -0.00202 0.00420 -0.00309 -0.00914 89 2S -0.00005 0.00459 -0.00918 0.00430 0.01815 90 2PX -0.00382 0.00179 -0.00335 0.00566 0.00360 91 2PY 0.00097 0.01024 -0.02612 0.00233 0.03531 92 2PZ 0.00411 -0.00336 0.01372 -0.00368 -0.00754 93 3S -0.00166 -0.00082 -0.01381 0.04761 0.07651 94 3PX -0.00382 -0.00044 -0.00407 0.00895 0.00860 95 3PY -0.00068 0.00685 -0.01928 0.00920 0.05190 96 3PZ 0.00420 0.00017 0.00714 -0.01323 -0.00330 97 4XX 0.00114 -0.00043 0.00105 -0.00160 -0.00085 98 4YY -0.00032 -0.00057 0.00088 -0.00258 -0.00193 99 4ZZ -0.00008 0.00018 -0.00092 0.00295 0.00151 100 4XY 0.00069 -0.00034 0.00059 0.00054 -0.00070 101 4XZ -0.00148 0.00007 -0.00012 0.00227 0.00068 102 4YZ -0.00254 0.00151 -0.00341 0.00256 0.00454 103 13 H 1S 0.01032 -0.00421 0.01108 -0.01222 -0.01110 104 2S 0.01814 -0.00628 0.01442 -0.02775 -0.02015 105 14 H 1S -0.00021 -0.00194 0.00810 0.00893 -0.00402 106 2S -0.00043 -0.00257 0.00829 0.01198 -0.01251 107 15 C 1S 0.00058 -0.00096 0.00325 -0.00345 -0.00442 108 2S -0.00104 0.00309 -0.00398 0.00804 0.00652 109 2PX -0.00610 0.00603 -0.01973 0.00551 0.00669 110 2PY -0.00445 0.00166 -0.00257 0.02187 0.01613 111 2PZ -0.00388 0.00544 -0.01611 0.01143 0.00647 112 3S -0.00666 -0.00389 -0.01547 0.01232 0.04112 113 3PX -0.00107 0.00527 -0.01585 0.01451 0.00810 114 3PY -0.00089 -0.00344 0.00097 0.00292 0.01502 115 3PZ -0.00990 0.00096 -0.01388 0.02189 0.00949 116 4XX -0.00018 -0.00015 0.00009 0.00099 -0.00029 117 4YY -0.00042 0.00008 -0.00002 -0.00029 0.00010 118 4ZZ 0.00012 -0.00011 0.00080 -0.00017 -0.00085 119 4XY 0.00102 -0.00038 0.00017 -0.00560 -0.00230 120 4XZ -0.00047 0.00016 -0.00052 0.00161 0.00075 121 4YZ 0.00076 -0.00043 0.00030 -0.00504 -0.00154 122 16 H 1S 0.00361 -0.00217 0.00570 -0.01883 -0.00819 123 2S 0.00233 -0.00428 0.00823 -0.02241 -0.01238 124 17 C 1S -0.00151 -0.00194 0.00260 0.00847 0.00429 125 2S 0.00010 0.00084 -0.01173 -0.01034 -0.00290 126 2PX 0.01513 -0.00441 0.00258 -0.10014 -0.03476 127 2PY 0.00607 0.00057 -0.00516 -0.02517 -0.01768 128 2PZ 0.00953 -0.00773 0.01093 -0.08814 -0.02312 129 3S 0.00975 0.01939 -0.00899 -0.03372 -0.03762 130 3PX 0.00668 0.00116 -0.00240 -0.06898 -0.02647 131 3PY 0.00045 -0.00042 -0.00593 -0.01875 0.00972 132 3PZ 0.01870 0.00289 0.00279 -0.07184 -0.01843 133 4XX 0.00029 -0.00167 0.00292 -0.00639 -0.00237 134 4YY -0.00018 -0.00015 -0.00073 0.00200 0.00234 135 4ZZ 0.00021 0.00005 -0.00093 0.00299 0.00031 136 4XY 0.00047 -0.00065 0.00176 -0.00232 0.00081 137 4XZ 0.00056 -0.00087 0.00216 -0.00445 -0.00155 138 4YZ 0.00024 -0.00069 0.00189 -0.00161 0.00050 139 18 H 1S -0.00035 0.00601 -0.01493 0.02506 0.00205 140 2S 0.00497 0.00676 -0.01326 0.02744 0.00704 141 19 O 1S -0.00077 -0.00022 -0.00083 0.00029 0.00057 142 2S 0.00190 -0.00033 0.00190 -0.00261 -0.00159 143 2PX 0.00464 -0.00196 0.01055 -0.00509 -0.00635 144 2PY 0.00424 -0.00012 0.00069 -0.00507 -0.00593 145 2PZ -0.00294 -0.00038 0.00620 0.01086 0.00506 146 3S 0.00494 0.00417 0.00260 0.00467 -0.00356 147 3PX 0.00491 -0.00087 0.00952 -0.00798 -0.00668 148 3PY 0.00317 0.00084 0.00063 -0.00069 -0.00535 149 3PZ -0.00195 -0.00100 0.00697 0.00652 0.00313 150 4XX -0.00029 0.00014 -0.00070 0.00054 0.00032 151 4YY 0.00000 -0.00035 0.00001 -0.00039 -0.00001 152 4ZZ 0.00022 -0.00059 0.00049 -0.00162 -0.00047 153 4XY 0.00030 0.00006 0.00032 0.00007 0.00005 154 4XZ -0.00015 0.00001 -0.00012 0.00024 0.00009 155 4YZ 0.00001 0.00000 0.00005 -0.00046 -0.00022 156 20 O 1S 0.00148 -0.00006 0.00125 -0.00405 -0.00016 157 2S -0.00270 0.00144 -0.00358 0.00924 0.00011 158 2PX -0.00739 0.00873 -0.01383 0.06017 0.01144 159 2PY 0.00120 0.00185 -0.00158 0.00855 -0.00102 160 2PZ -0.00147 0.00817 -0.00917 0.05230 0.01310 161 3S -0.00955 -0.00559 -0.00094 0.01764 0.00059 162 3PX -0.00833 0.00394 -0.01002 0.05167 0.01066 163 3PY 0.00169 0.00167 -0.00082 0.00510 -0.00139 164 3PZ -0.00181 0.00726 -0.00761 0.04911 0.01408 165 4XX 0.00063 0.00024 -0.00022 -0.00249 -0.00102 166 4YY 0.00018 0.00041 0.00028 -0.00014 0.00053 167 4ZZ -0.00002 0.00077 -0.00013 0.00221 0.00025 168 4XY 0.00051 -0.00030 0.00069 -0.00263 -0.00049 169 4XZ 0.00021 -0.00009 0.00043 -0.00078 -0.00004 170 4YZ -0.00026 -0.00035 0.00059 -0.00104 0.00015 171 21 C 1S -0.00020 0.00031 0.00016 0.00231 0.00028 172 2S 0.00145 -0.00014 0.00012 -0.00529 -0.00125 173 2PX 0.00178 -0.00106 0.00104 -0.00790 -0.00130 174 2PY 0.00108 -0.00029 0.00035 -0.00364 0.00068 175 2PZ 0.00026 -0.00089 0.00171 0.00117 0.00103 176 3S 0.00175 -0.00167 -0.00067 -0.01411 -0.00313 177 3PX -0.00061 -0.00070 -0.00066 -0.00055 0.00011 178 3PY -0.00008 0.00010 -0.00080 0.00116 -0.00035 179 3PZ 0.00033 -0.00012 0.00144 0.01064 0.00170 180 4XX -0.00015 0.00047 -0.00028 0.00261 0.00032 181 4YY -0.00005 0.00012 -0.00013 0.00034 0.00024 182 4ZZ 0.00025 -0.00034 0.00032 -0.00260 -0.00051 183 4XY -0.00050 0.00036 -0.00075 0.00234 0.00068 184 4XZ 0.00001 0.00011 -0.00015 0.00004 -0.00016 185 4YZ -0.00019 0.00050 -0.00078 0.00242 0.00047 186 22 H 1S -0.00121 0.00143 -0.00087 0.01077 0.00153 187 2S -0.00265 0.00191 -0.00083 0.02157 0.00370 188 23 H 1S 0.00092 -0.00145 0.00102 -0.00985 -0.00185 189 2S 0.00049 -0.00192 0.00051 -0.01930 -0.00326 56 57 58 59 60 56 2PZ 0.38398 57 3S -0.02810 0.30081 58 3PX 0.03213 -0.02134 0.12483 59 3PY 0.01754 -0.00568 0.00622 0.05323 60 3PZ 0.17020 -0.02586 0.05265 0.01511 0.09657 61 4XX -0.00139 -0.01129 0.00519 -0.00167 0.00074 62 4YY -0.00249 0.00386 -0.00114 0.00653 -0.00037 63 4ZZ 0.00468 -0.00678 -0.00449 -0.00330 -0.00006 64 4XY 0.00415 -0.00321 -0.00319 0.00011 0.00028 65 4XZ 0.00117 -0.00351 -0.00170 0.00145 -0.00062 66 4YZ -0.01082 -0.00059 0.00006 -0.00161 -0.00357 67 8 H 1S -0.02239 0.11236 -0.00500 0.08411 -0.00398 68 2S -0.02174 0.03318 0.01109 0.07233 0.00224 69 9 C 1S -0.05183 -0.00159 0.00447 0.00709 -0.00575 70 2S 0.10793 0.01521 -0.01063 -0.01666 0.02430 71 2PX 0.08279 0.03848 0.00014 -0.00297 0.01544 72 2PY 0.11059 0.03628 -0.00744 -0.01304 0.05091 73 2PZ -0.23444 -0.11066 0.03881 0.01894 -0.09077 74 3S 0.08679 0.00025 -0.04849 -0.02852 -0.00062 75 3PX 0.03724 0.01150 -0.00163 0.00036 0.00751 76 3PY 0.05349 0.00991 -0.00133 -0.00478 0.02380 77 3PZ -0.11711 -0.02317 0.01621 0.00279 -0.04787 78 4XX -0.00376 -0.00465 0.00410 -0.00008 0.00009 79 4YY -0.00222 -0.00176 0.00124 0.00343 -0.00013 80 4ZZ 0.00103 0.00860 -0.00454 -0.00230 -0.00148 81 4XY 0.00361 0.00248 0.00120 0.00060 0.00105 82 4XZ -0.00569 -0.00329 -0.00506 0.00035 -0.00512 83 4YZ -0.00870 -0.00614 0.00155 -0.00275 -0.00416 84 10 H 1S -0.02612 -0.01621 -0.00407 -0.00728 -0.02954 85 2S -0.05900 -0.01439 -0.01442 -0.00673 -0.04305 86 11 H 1S -0.02346 -0.03206 0.01667 -0.00582 0.00217 87 2S -0.02902 -0.04478 0.04616 0.00375 0.01687 88 12 C 1S 0.00489 0.00384 -0.00367 -0.00396 0.00182 89 2S -0.01662 -0.00944 0.00478 0.00900 -0.00698 90 2PX -0.00156 -0.01286 -0.00202 0.00012 0.00419 91 2PY -0.03068 -0.02808 0.00941 0.01241 -0.02232 92 2PZ 0.02386 -0.00625 -0.01451 0.02511 0.02495 93 3S 0.00222 -0.01018 0.04232 0.02364 0.01382 94 3PX 0.00186 -0.00768 0.00405 0.00200 0.00495 95 3PY -0.01856 -0.01837 0.01155 0.01565 -0.00895 96 3PZ 0.01589 -0.00341 -0.01369 0.01142 0.01347 97 4XX -0.00003 0.00059 -0.00185 0.00079 -0.00002 98 4YY 0.00054 0.00052 -0.00138 -0.00036 -0.00117 99 4ZZ 0.00091 -0.00049 0.00227 -0.00067 0.00161 100 4XY 0.00294 0.00113 0.00075 -0.00018 0.00084 101 4XZ 0.00233 0.00028 0.00192 0.00020 0.00237 102 4YZ -0.00723 -0.00211 0.00124 0.00039 -0.00342 103 13 H 1S 0.01087 0.01099 -0.00908 0.00456 0.00276 104 2S 0.01327 0.01058 -0.02206 0.00344 -0.00202 105 14 H 1S 0.02448 -0.00357 0.00076 0.00939 0.02501 106 2S 0.03392 0.00101 0.00619 0.00172 0.02871 107 15 C 1S -0.00067 -0.00040 -0.00319 0.00096 -0.00134 108 2S 0.00424 -0.00631 0.00583 0.00157 0.00436 109 2PX 0.00168 0.01556 0.01655 -0.02129 0.00021 110 2PY 0.01219 -0.00883 0.01832 0.00074 0.01983 111 2PZ 0.00574 0.00403 0.02251 -0.01489 -0.00080 112 3S -0.01990 -0.00130 0.00674 0.00007 -0.00726 113 3PX 0.01706 0.00102 0.01969 -0.01039 0.01000 114 3PY -0.01068 -0.00790 -0.00152 0.00612 0.00095 115 3PZ -0.00462 0.00824 0.02266 -0.01132 -0.00260 116 4XX 0.00081 0.00049 0.00095 -0.00074 0.00042 117 4YY -0.00048 0.00091 0.00001 -0.00033 -0.00013 118 4ZZ 0.00000 -0.00076 -0.00060 0.00108 -0.00013 119 4XY -0.00325 0.00075 -0.00377 -0.00102 -0.00331 120 4XZ 0.00149 0.00094 0.00168 -0.00101 0.00147 121 4YZ -0.00330 0.00173 -0.00387 -0.00112 -0.00305 122 16 H 1S -0.01268 0.00324 -0.01988 0.00389 -0.01163 123 2S -0.02170 0.00515 -0.02249 0.00373 -0.01649 124 17 C 1S 0.00247 0.00478 -0.00166 0.00192 0.00398 125 2S -0.00678 0.00192 0.00229 -0.00689 -0.00726 126 2PX -0.05658 0.00887 -0.06588 -0.01526 -0.05403 127 2PY -0.00961 0.00287 -0.01537 -0.00266 -0.01961 128 2PZ -0.05948 0.03444 -0.06237 -0.01964 -0.05023 129 3S 0.01767 0.00636 -0.00805 -0.01668 -0.00662 130 3PX -0.05832 0.01134 -0.04884 -0.01406 -0.04814 131 3PY -0.01999 0.00141 -0.01359 -0.00004 -0.01788 132 3PZ -0.02540 0.01279 -0.04693 -0.01042 -0.03214 133 4XX -0.00507 0.00713 -0.00462 -0.00313 -0.00458 134 4YY 0.00114 -0.00222 0.00124 0.00109 0.00142 135 4ZZ 0.00308 -0.00433 0.00193 0.00251 0.00258 136 4XY -0.00135 -0.00025 -0.00167 0.00187 -0.00109 137 4XZ -0.00101 0.00175 -0.00305 -0.00075 -0.00144 138 4YZ -0.00103 0.00000 -0.00253 0.00115 0.00021 139 18 H 1S 0.02151 -0.01949 0.02452 0.00647 0.01188 140 2S 0.02830 -0.02523 0.02497 0.01130 0.01832 141 19 O 1S -0.00037 0.00478 -0.00034 -0.00292 -0.00038 142 2S -0.00241 -0.01173 -0.00063 0.00709 -0.00261 143 2PX -0.00385 -0.01344 -0.00600 0.01726 -0.00465 144 2PY -0.00209 -0.01505 -0.01029 0.00351 -0.00630 145 2PZ 0.00368 -0.00947 0.00672 0.01298 0.01135 146 3S 0.01629 -0.02206 0.00574 0.01074 0.01419 147 3PX -0.00036 -0.00993 -0.00766 0.01274 -0.00164 148 3PY 0.00211 -0.01204 -0.00556 0.00295 -0.00120 149 3PZ 0.00014 -0.00814 0.00201 0.01205 0.00637 150 4XX -0.00035 -0.00027 0.00061 -0.00014 -0.00022 151 4YY -0.00100 -0.00009 -0.00059 0.00005 -0.00109 152 4ZZ -0.00143 0.00113 -0.00155 -0.00034 -0.00116 153 4XY 0.00023 -0.00078 0.00003 0.00066 0.00012 154 4XZ 0.00015 0.00042 0.00039 -0.00024 0.00009 155 4YZ -0.00047 0.00012 -0.00021 0.00012 -0.00030 156 20 O 1S 0.00063 -0.00072 0.00230 0.00276 -0.00411 157 2S 0.00160 0.00712 -0.00370 -0.00819 0.00913 158 2PX 0.01990 -0.06028 0.03299 0.03530 0.03605 159 2PY 0.00432 -0.03800 -0.01212 0.00543 0.01761 160 2PZ 0.02772 -0.09401 0.02373 0.05518 0.04427 161 3S -0.01794 0.00111 -0.00865 -0.00732 0.00834 162 3PX 0.01442 -0.04703 0.02858 0.02793 0.02875 163 3PY 0.00720 -0.02461 -0.00712 0.00338 0.01324 164 3PZ 0.03125 -0.06982 0.02547 0.04144 0.04036 165 4XX -0.00083 -0.00102 -0.00166 0.00027 -0.00089 166 4YY 0.00077 0.00234 0.00115 -0.00011 -0.00071 167 4ZZ 0.00242 0.00016 0.00189 -0.00023 0.00144 168 4XY -0.00036 0.00189 -0.00171 -0.00110 -0.00119 169 4XZ -0.00006 -0.00060 -0.00060 0.00050 -0.00008 170 4YZ -0.00080 0.00344 -0.00027 -0.00177 -0.00116 171 21 C 1S 0.00028 -0.00427 0.00077 0.00191 0.00079 172 2S -0.00036 0.00569 -0.00091 -0.00096 -0.00392 173 2PX -0.00107 0.01578 -0.00102 -0.00453 -0.00867 174 2PY 0.00185 0.00790 0.00266 0.00143 -0.00229 175 2PZ 0.00274 0.01040 0.00061 -0.00643 0.00420 176 3S -0.00050 0.00770 -0.00507 -0.00321 -0.00672 177 3PX -0.00162 0.00048 0.00104 0.00156 -0.00252 178 3PY 0.00114 -0.00406 0.00167 0.00206 0.00053 179 3PZ 0.00865 -0.00687 0.00524 0.00534 0.00993 180 4XX 0.00062 -0.00399 0.00129 0.00246 0.00156 181 4YY 0.00036 -0.00117 -0.00005 0.00051 0.00071 182 4ZZ -0.00089 0.00504 -0.00109 -0.00302 -0.00210 183 4XY 0.00100 -0.00072 0.00172 0.00061 0.00133 184 4XZ 0.00005 -0.00051 -0.00013 -0.00009 0.00040 185 4YZ 0.00097 -0.00384 0.00104 0.00135 0.00158 186 22 H 1S 0.00282 -0.01838 0.00434 0.01008 0.00829 187 2S 0.00566 -0.02977 0.00954 0.01789 0.01475 188 23 H 1S -0.00338 0.02162 -0.00370 -0.01276 -0.00673 189 2S -0.01360 0.03444 -0.00889 -0.02265 -0.01665 61 62 63 64 65 61 4XX 0.00150 62 4YY -0.00052 0.00186 63 4ZZ 0.00006 -0.00073 0.00145 64 4XY 0.00000 -0.00013 0.00035 0.00042 65 4XZ 0.00001 0.00039 -0.00006 0.00009 0.00069 66 4YZ 0.00014 -0.00011 -0.00004 -0.00027 -0.00008 67 8 H 1S -0.00852 0.01672 -0.00994 -0.00155 0.00194 68 2S -0.00501 0.01588 -0.00875 -0.00136 0.00308 69 9 C 1S 0.00166 0.00168 -0.00511 -0.00133 0.00199 70 2S -0.00384 -0.00345 0.00884 0.00249 -0.00366 71 2PX -0.00729 -0.00095 0.00569 -0.00083 0.00912 72 2PY -0.00066 -0.00951 0.00774 -0.00064 -0.00272 73 2PZ 0.00546 0.00362 0.00069 -0.00405 0.00357 74 3S -0.00366 -0.00683 0.01172 0.00382 -0.00371 75 3PX -0.00316 -0.00063 0.00265 -0.00044 0.00422 76 3PY -0.00082 -0.00362 0.00392 0.00013 -0.00107 77 3PZ 0.00129 0.00255 -0.00032 -0.00239 0.00116 78 4XX 0.00055 -0.00029 0.00004 -0.00017 -0.00026 79 4YY -0.00011 0.00085 -0.00055 0.00004 0.00019 80 4ZZ -0.00043 -0.00040 0.00029 -0.00001 0.00010 81 4XY -0.00026 0.00004 0.00009 -0.00006 0.00038 82 4XZ -0.00024 0.00016 0.00052 0.00012 0.00062 83 4YZ 0.00030 -0.00031 0.00033 -0.00008 0.00002 84 10 H 1S -0.00244 -0.00242 0.00811 -0.00106 0.00402 85 2S -0.00102 -0.00166 0.00534 -0.00102 0.00504 86 11 H 1S 0.00457 -0.00287 0.00117 -0.00001 -0.00707 87 2S 0.00609 -0.00200 -0.00219 -0.00146 -0.00575 88 12 C 1S 0.00030 -0.00149 0.00048 -0.00034 -0.00008 89 2S -0.00104 0.00320 -0.00117 0.00074 0.00025 90 2PX -0.00016 0.00053 -0.00018 -0.00001 -0.00082 91 2PY -0.00102 0.00819 -0.00394 0.00173 0.00099 92 2PZ 0.00235 -0.00100 0.00006 -0.00056 0.00056 93 3S -0.00084 0.00541 -0.00339 0.00077 0.00033 94 3PX -0.00010 0.00059 -0.00022 -0.00018 -0.00058 95 3PY -0.00038 0.00567 -0.00314 0.00045 0.00110 96 3PZ 0.00079 0.00003 -0.00024 -0.00014 0.00060 97 4XX 0.00012 -0.00023 0.00006 -0.00006 0.00005 98 4YY -0.00021 0.00009 0.00022 0.00008 -0.00008 99 4ZZ 0.00010 -0.00009 -0.00005 -0.00001 -0.00003 100 4XY -0.00020 -0.00003 0.00016 -0.00002 0.00028 101 4XZ 0.00014 0.00003 -0.00008 0.00002 0.00001 102 4YZ 0.00004 0.00020 -0.00002 -0.00012 0.00009 103 13 H 1S -0.00024 -0.00155 0.00123 -0.00018 0.00082 104 2S -0.00114 -0.00210 0.00239 -0.00041 0.00093 105 14 H 1S 0.00137 -0.00101 -0.00013 -0.00010 -0.00069 106 2S 0.00250 -0.00204 -0.00037 0.00006 -0.00099 107 15 C 1S -0.00050 -0.00011 0.00057 -0.00027 -0.00026 108 2S 0.00121 0.00041 -0.00090 0.00041 0.00034 109 2PX 0.00643 -0.00097 -0.00319 0.00143 0.00303 110 2PY -0.00220 0.00126 0.00002 0.00056 -0.00109 111 2PZ 0.00551 -0.00060 -0.00256 0.00100 0.00228 112 3S 0.00313 0.00160 -0.00306 0.00030 0.00172 113 3PX 0.00457 -0.00070 -0.00203 0.00087 0.00156 114 3PY -0.00248 0.00134 0.00064 0.00000 -0.00055 115 3PZ 0.00449 -0.00045 -0.00256 0.00032 0.00176 116 4XX 0.00002 -0.00003 -0.00003 -0.00001 0.00002 117 4YY 0.00001 0.00000 -0.00004 0.00001 0.00003 118 4ZZ -0.00011 0.00000 0.00012 -0.00007 -0.00008 119 4XY 0.00023 -0.00013 0.00001 0.00010 0.00023 120 4XZ 0.00002 0.00001 -0.00009 0.00005 -0.00002 121 4YZ 0.00021 -0.00009 -0.00009 0.00009 0.00015 122 16 H 1S -0.00039 -0.00023 0.00048 -0.00024 -0.00001 123 2S -0.00119 -0.00023 0.00102 -0.00025 -0.00013 124 17 C 1S -0.00149 0.00012 -0.00031 -0.00016 -0.00082 125 2S 0.00265 -0.00135 -0.00051 0.00064 0.00234 126 2PX 0.00497 -0.00229 -0.00005 0.00256 0.00542 127 2PY 0.00347 -0.00230 0.00012 -0.00041 0.00262 128 2PZ 0.00292 -0.00079 -0.00139 0.00185 0.00200 129 3S 0.00473 -0.00365 -0.00023 0.00143 0.00286 130 3PX 0.00308 -0.00184 0.00015 0.00135 0.00370 131 3PY 0.00193 0.00001 -0.00089 -0.00004 0.00204 132 3PZ 0.00248 -0.00113 -0.00027 0.00168 0.00205 133 4XX -0.00044 0.00003 0.00011 -0.00002 -0.00022 134 4YY 0.00004 0.00015 -0.00007 0.00001 0.00004 135 4ZZ 0.00018 -0.00003 0.00003 -0.00004 0.00003 136 4XY -0.00038 0.00013 0.00018 -0.00002 -0.00006 137 4XZ -0.00023 0.00003 0.00010 0.00010 -0.00003 138 4YZ -0.00043 0.00015 0.00011 -0.00003 -0.00023 139 18 H 1S 0.00237 -0.00130 0.00016 -0.00041 0.00178 140 2S 0.00128 -0.00061 0.00053 -0.00025 0.00071 141 19 O 1S 0.00005 -0.00013 -0.00024 0.00001 0.00001 142 2S 0.00009 0.00025 0.00047 -0.00007 0.00013 143 2PX -0.00284 0.00074 0.00252 -0.00087 -0.00149 144 2PY 0.00058 -0.00051 0.00016 -0.00024 0.00051 145 2PZ -0.00301 0.00126 0.00186 -0.00054 -0.00179 146 3S -0.00127 0.00029 0.00152 0.00019 -0.00050 147 3PX -0.00285 0.00057 0.00228 -0.00059 -0.00135 148 3PY 0.00038 -0.00046 0.00020 -0.00018 0.00030 149 3PZ -0.00271 0.00102 0.00156 -0.00056 -0.00155 150 4XX 0.00027 -0.00002 -0.00012 0.00002 0.00009 151 4YY 0.00006 -0.00002 -0.00004 -0.00003 0.00004 152 4ZZ -0.00011 -0.00001 0.00003 -0.00002 -0.00003 153 4XY -0.00012 0.00005 0.00008 -0.00001 -0.00007 154 4XZ 0.00002 -0.00001 -0.00002 0.00000 0.00001 155 4YZ 0.00002 0.00000 0.00004 -0.00001 0.00002 156 20 O 1S 0.00035 0.00017 0.00017 0.00005 0.00011 157 2S -0.00046 -0.00051 -0.00055 -0.00017 -0.00025 158 2PX 0.00294 -0.00017 -0.00088 -0.00094 0.00016 159 2PY 0.00031 0.00000 0.00001 0.00031 0.00046 160 2PZ 0.00201 0.00057 0.00046 0.00013 0.00175 161 3S -0.00246 0.00010 0.00027 -0.00047 -0.00071 162 3PX 0.00149 0.00019 -0.00035 -0.00084 -0.00012 163 3PY 0.00033 -0.00005 -0.00007 0.00030 0.00019 164 3PZ 0.00128 0.00055 0.00015 -0.00014 0.00076 165 4XX 0.00033 -0.00011 -0.00007 0.00008 0.00020 166 4YY -0.00001 0.00002 -0.00005 -0.00002 -0.00001 167 4ZZ -0.00001 -0.00003 -0.00002 -0.00004 -0.00007 168 4XY -0.00010 -0.00001 0.00005 0.00003 0.00002 169 4XZ 0.00002 0.00003 0.00000 0.00003 -0.00005 170 4YZ -0.00021 0.00004 0.00000 -0.00003 -0.00017 171 21 C 1S 0.00004 0.00013 0.00003 -0.00003 -0.00016 172 2S 0.00020 -0.00018 0.00009 -0.00003 0.00059 173 2PX -0.00021 -0.00006 0.00010 -0.00012 0.00040 174 2PY -0.00035 0.00002 0.00026 0.00017 0.00029 175 2PZ -0.00101 0.00037 0.00014 -0.00014 -0.00019 176 3S 0.00069 -0.00020 -0.00002 0.00016 0.00113 177 3PX 0.00030 0.00012 -0.00010 -0.00009 0.00002 178 3PY 0.00023 -0.00009 0.00009 0.00006 0.00014 179 3PZ -0.00113 0.00041 0.00050 -0.00026 -0.00024 180 4XX 0.00006 0.00002 0.00004 -0.00004 -0.00007 181 4YY -0.00003 0.00002 0.00002 0.00003 0.00003 182 4ZZ -0.00004 -0.00004 -0.00008 0.00001 0.00000 183 4XY 0.00015 -0.00002 -0.00010 0.00001 0.00004 184 4XZ 0.00006 -0.00002 -0.00001 0.00002 0.00002 185 4YZ 0.00024 -0.00002 -0.00009 0.00000 0.00009 186 22 H 1S 0.00012 0.00009 0.00020 -0.00012 -0.00031 187 2S -0.00027 0.00042 0.00042 -0.00035 -0.00087 188 23 H 1S -0.00017 -0.00012 -0.00023 0.00000 0.00017 189 2S 0.00052 -0.00043 -0.00084 0.00028 0.00005 66 67 68 69 70 66 4YZ 0.00065 67 8 H 1S -0.00166 0.21714 68 2S -0.00101 0.17586 0.16496 69 9 C 1S 0.00341 0.01166 0.01408 2.05092 70 2S -0.00665 -0.02373 -0.02635 -0.05342 0.30682 71 2PX -0.00319 -0.00665 -0.01502 0.00089 -0.00094 72 2PY 0.00436 -0.03135 -0.05920 -0.00199 0.00121 73 2PZ 0.00855 0.03237 0.06662 -0.00339 0.00249 74 3S -0.00657 -0.06426 -0.06880 -0.18586 0.27977 75 3PX -0.00139 -0.00612 -0.00959 0.00226 -0.00384 76 3PY 0.00181 -0.00755 -0.01771 0.00044 0.00252 77 3PZ 0.00427 0.02544 0.03800 -0.00163 0.00937 78 4XX 0.00039 -0.00156 -0.00043 -0.01787 0.00020 79 4YY -0.00020 0.00650 0.00719 -0.01551 -0.00514 80 4ZZ 0.00009 -0.00183 -0.00457 -0.01630 -0.00351 81 4XY -0.00013 0.00120 0.00058 0.00055 -0.00106 82 4XZ 0.00011 0.00093 0.00157 -0.00049 0.00110 83 4YZ 0.00031 -0.00478 -0.00205 -0.00140 0.00268 84 10 H 1S 0.00143 -0.00897 -0.00497 -0.05287 0.10196 85 2S 0.00279 -0.00567 -0.00227 -0.00700 0.02105 86 11 H 1S 0.00219 -0.01340 -0.00728 -0.05307 0.10305 87 2S 0.00327 -0.01059 -0.00005 -0.00471 0.02008 88 12 C 1S 0.00110 -0.00717 -0.00907 0.01015 -0.01940 89 2S -0.00198 0.01458 0.01876 -0.01940 0.03034 90 2PX -0.00032 0.00151 0.00484 -0.00025 0.00110 91 2PY -0.00723 0.03618 0.06046 -0.06234 0.12842 92 2PZ 0.00107 -0.00432 -0.01988 0.00363 -0.00757 93 3S -0.00249 0.04599 0.05207 0.00627 0.00956 94 3PX -0.00017 0.00397 0.00610 -0.00051 0.00149 95 3PY -0.00317 0.03698 0.04915 -0.01398 0.04159 96 3PZ 0.00055 -0.00016 -0.00653 0.00320 -0.00959 97 4XX 0.00021 -0.00081 -0.00228 0.00206 -0.00506 98 4YY -0.00034 -0.00011 0.00022 -0.00682 0.01180 99 4ZZ 0.00021 -0.00001 0.00045 0.00208 -0.00477 100 4XY -0.00007 -0.00029 -0.00036 -0.00001 0.00001 101 4XZ 0.00004 0.00020 0.00043 0.00011 -0.00018 102 4YZ 0.00018 0.00198 0.00306 -0.00033 0.00032 103 13 H 1S 0.00098 -0.00723 -0.01829 0.00761 -0.01999 104 2S 0.00075 -0.01152 -0.02512 0.00792 -0.01755 105 14 H 1S 0.00104 -0.00530 -0.01305 0.00840 -0.02008 106 2S 0.00117 -0.01225 -0.01807 0.01010 -0.02085 107 15 C 1S -0.00015 -0.00154 -0.00262 -0.00135 0.00330 108 2S 0.00011 0.00207 0.00378 0.00251 -0.00445 109 2PX 0.00055 -0.00480 0.00466 0.00750 -0.01644 110 2PY 0.00046 0.00972 0.01646 -0.00026 0.00227 111 2PZ 0.00053 -0.00401 0.00643 0.00677 -0.01384 112 3S 0.00055 0.02040 0.02628 0.00525 -0.02178 113 3PX 0.00014 -0.00386 0.00371 0.00501 -0.00781 114 3PY 0.00041 0.01138 0.01247 -0.00098 -0.00158 115 3PZ 0.00046 -0.00075 0.00676 0.00473 -0.01518 116 4XX 0.00004 -0.00023 0.00028 0.00003 0.00002 117 4YY 0.00001 0.00017 0.00016 -0.00008 0.00002 118 4ZZ -0.00007 -0.00023 -0.00084 -0.00049 0.00104 119 4XY 0.00004 -0.00116 -0.00147 0.00020 -0.00070 120 4XZ 0.00000 0.00024 0.00089 0.00000 0.00019 121 4YZ 0.00003 -0.00057 -0.00103 0.00011 -0.00086 122 16 H 1S -0.00028 -0.00202 -0.00895 -0.00132 0.00098 123 2S -0.00010 -0.00284 -0.01063 -0.00232 0.00125 124 17 C 1S -0.00007 0.00409 0.00293 -0.00160 0.00237 125 2S 0.00042 -0.00635 -0.00299 0.00232 -0.00725 126 2PX 0.00118 -0.01728 -0.02259 0.00602 -0.01601 127 2PY -0.00042 -0.01448 -0.01735 0.00137 -0.00410 128 2PZ 0.00099 -0.00488 -0.01181 0.00522 -0.01808 129 3S -0.00039 -0.02953 -0.02850 0.00608 -0.00127 130 3PX 0.00132 -0.01404 -0.01789 0.00471 -0.01727 131 3PY 0.00012 0.00488 0.00480 0.00098 -0.01047 132 3PZ 0.00000 -0.00815 -0.01337 0.00665 -0.00699 133 4XX 0.00008 0.00033 -0.00067 -0.00063 0.00056 134 4YY -0.00001 0.00113 0.00161 0.00003 -0.00028 135 4ZZ -0.00010 -0.00055 -0.00051 -0.00062 0.00051 136 4XY 0.00001 0.00138 0.00017 -0.00037 0.00055 137 4XZ 0.00000 0.00012 -0.00046 -0.00066 0.00101 138 4YZ -0.00001 0.00127 0.00062 -0.00023 0.00046 139 18 H 1S -0.00042 -0.00806 -0.00417 0.00045 0.00109 140 2S -0.00067 -0.00437 -0.00118 0.00047 0.00574 141 19 O 1S 0.00001 0.00027 0.00064 0.00035 -0.00090 142 2S 0.00003 -0.00065 -0.00182 -0.00036 0.00121 143 2PX -0.00036 0.00043 -0.00854 -0.00404 0.00893 144 2PY 0.00001 -0.00415 -0.00309 0.00108 -0.00205 145 2PZ -0.00037 0.00616 0.00133 -0.00486 0.01105 146 3S -0.00001 -0.00284 -0.00271 -0.00302 0.00784 147 3PX -0.00031 0.00001 -0.00716 -0.00391 0.00955 148 3PY -0.00001 -0.00404 -0.00309 0.00036 -0.00119 149 3PZ -0.00033 0.00530 0.00039 -0.00479 0.00936 150 4XX 0.00000 -0.00014 0.00008 0.00039 -0.00038 151 4YY 0.00001 0.00004 -0.00003 0.00020 -0.00039 152 4ZZ -0.00001 0.00006 -0.00024 0.00013 0.00007 153 4XY -0.00001 0.00017 -0.00002 -0.00012 0.00032 154 4XZ 0.00000 0.00000 0.00006 0.00004 -0.00003 155 4YZ -0.00002 -0.00008 -0.00028 -0.00012 0.00005 156 20 O 1S 0.00000 0.00030 -0.00252 -0.00055 0.00098 157 2S -0.00013 -0.00116 0.00540 0.00228 -0.00251 158 2PX -0.00009 -0.00315 0.00050 0.00379 -0.01216 159 2PY -0.00005 -0.00246 0.00906 0.00113 0.00119 160 2PZ -0.00007 -0.00083 -0.00039 0.00311 -0.00877 161 3S 0.00071 0.00161 0.01046 -0.00116 -0.00487 162 3PX 0.00009 -0.00072 0.00210 0.00096 -0.00699 163 3PY -0.00017 -0.00217 0.00532 0.00085 0.00248 164 3PZ -0.00036 0.00107 0.00268 0.00116 -0.00346 165 4XX -0.00001 -0.00078 -0.00088 0.00046 -0.00072 166 4YY -0.00004 0.00045 -0.00030 0.00040 -0.00042 167 4ZZ -0.00006 -0.00011 0.00018 0.00021 0.00056 168 4XY -0.00002 0.00008 -0.00008 -0.00008 0.00060 169 4XZ 0.00000 0.00013 -0.00014 -0.00030 0.00048 170 4YZ 0.00002 0.00054 0.00048 -0.00031 0.00067 171 21 C 1S 0.00007 0.00003 0.00032 -0.00065 0.00136 172 2S -0.00011 -0.00057 -0.00251 0.00156 -0.00372 173 2PX -0.00005 0.00048 -0.00236 0.00189 -0.00416 174 2PY -0.00002 0.00079 -0.00312 -0.00001 -0.00040 175 2PZ -0.00016 0.00234 0.00528 0.00280 -0.00422 176 3S -0.00013 -0.00148 -0.00319 0.00356 -0.00478 177 3PX -0.00009 0.00031 -0.00078 -0.00052 0.00167 178 3PY 0.00004 -0.00086 -0.00100 -0.00086 0.00110 179 3PZ -0.00028 0.00146 0.00219 0.00189 -0.00206 180 4XX -0.00002 -0.00016 -0.00032 -0.00032 0.00025 181 4YY 0.00000 0.00008 0.00021 -0.00006 0.00027 182 4ZZ 0.00001 0.00006 0.00022 0.00026 -0.00041 183 4XY 0.00001 -0.00003 0.00011 0.00015 -0.00060 184 4XZ 0.00000 -0.00021 0.00000 -0.00001 0.00004 185 4YZ 0.00001 -0.00029 0.00036 0.00031 -0.00062 186 22 H 1S -0.00004 -0.00050 -0.00052 -0.00148 0.00243 187 2S -0.00013 0.00055 0.00034 -0.00291 0.00563 188 23 H 1S 0.00002 0.00045 0.00164 0.00270 -0.00472 189 2S 0.00029 0.00001 0.00219 -0.00010 -0.00130 71 72 73 74 75 71 2PX 0.41189 72 2PY -0.00498 0.38123 73 2PZ 0.00312 0.00574 0.38896 74 3S 0.00647 -0.00791 -0.02479 0.30211 75 3PX 0.18594 -0.00354 -0.00071 0.00138 0.08584 76 3PY 0.00077 0.17352 0.00965 -0.00728 -0.00185 77 3PZ -0.00744 0.00608 0.17988 -0.00701 -0.00654 78 4XX -0.01071 0.01028 0.01118 -0.00035 -0.00491 79 4YY -0.00055 -0.01508 -0.00106 -0.00514 -0.00019 80 4ZZ 0.01050 0.00820 -0.00579 -0.00016 0.00476 81 4XY 0.01580 -0.00028 0.00038 -0.00117 0.00723 82 4XZ 0.01498 -0.00054 0.01184 0.00235 0.00666 83 4YZ -0.00004 0.00065 0.01285 0.00250 -0.00017 84 10 H 1S 0.18033 0.08036 0.17915 0.09108 0.07911 85 2S 0.16499 0.06613 0.15931 0.01900 0.07323 86 11 H 1S -0.24405 0.09273 0.06771 0.08095 -0.11185 87 2S -0.21324 0.07574 0.05594 -0.00678 -0.09431 88 12 C 1S -0.00028 0.06233 0.00373 0.00627 -0.00051 89 2S 0.00115 -0.12841 -0.00779 0.00956 0.00150 90 2PX -0.00075 0.00204 -0.00492 -0.00450 -0.00516 91 2PY -0.00190 -0.31488 -0.00238 0.12580 -0.00282 92 2PZ -0.00493 0.00184 0.00696 -0.00414 0.00108 93 3S -0.00441 -0.12578 -0.00434 -0.03255 -0.00252 94 3PX -0.00513 0.00288 0.00111 -0.00253 -0.00533 95 3PY -0.00010 -0.14640 0.01468 0.03365 -0.00179 96 3PZ 0.00071 -0.00220 -0.00676 -0.00814 0.00274 97 4XX 0.00023 0.00708 0.00044 -0.00420 0.00048 98 4YY 0.00037 -0.00827 0.00044 0.01297 0.00018 99 4ZZ -0.00063 0.00812 0.00084 -0.00657 -0.00074 100 4XY 0.01155 -0.00033 0.00029 -0.00016 0.00535 101 4XZ -0.00062 -0.00060 -0.00060 -0.00163 -0.00063 102 4YZ 0.00043 0.00005 0.01048 0.00040 0.00012 103 13 H 1S 0.02272 0.02939 -0.00275 -0.01939 0.01474 104 2S 0.04408 0.05181 -0.00216 -0.00376 0.02329 105 14 H 1S -0.01885 0.02735 -0.01612 -0.03337 -0.00938 106 2S -0.03500 0.05264 -0.02226 -0.03232 -0.01824 107 15 C 1S -0.00010 -0.00130 -0.00447 0.00485 0.00199 108 2S 0.00034 0.00180 0.00621 -0.00905 -0.00102 109 2PX -0.00554 0.00832 0.02321 -0.04200 -0.01625 110 2PY 0.00294 -0.00295 0.00039 -0.00887 0.00246 111 2PZ -0.00340 0.00668 0.01784 -0.03621 -0.00603 112 3S 0.00056 0.00371 0.04391 -0.04202 -0.00316 113 3PX -0.01196 0.01241 0.01019 -0.02846 -0.01263 114 3PY 0.00920 -0.00421 0.00921 -0.00531 0.00703 115 3PZ -0.00203 0.00044 0.02312 -0.03146 -0.00619 116 4XX 0.00010 0.00020 -0.00036 -0.00109 0.00047 117 4YY 0.00039 -0.00053 0.00051 0.00031 -0.00016 118 4ZZ -0.00049 -0.00051 -0.00123 0.00205 -0.00013 119 4XY 0.00069 -0.00008 0.00080 -0.00001 0.00060 120 4XZ -0.00064 0.00001 -0.00047 -0.00124 -0.00079 121 4YZ 0.00045 -0.00028 0.00108 0.00019 -0.00027 122 16 H 1S 0.00110 -0.00170 -0.00124 0.01426 -0.00070 123 2S 0.00626 -0.00757 -0.00091 0.01826 0.00230 124 17 C 1S -0.00276 -0.00037 -0.00220 0.00257 -0.00447 125 2S 0.00839 -0.00113 0.01169 -0.00752 0.00431 126 2PX 0.01448 0.00146 0.01973 -0.01143 0.01163 127 2PY 0.00284 0.00184 0.00128 0.00181 0.00524 128 2PZ 0.01388 -0.00171 0.01867 -0.00098 -0.00417 129 3S 0.00168 0.00818 -0.01867 0.00812 0.00074 130 3PX 0.02394 0.00040 0.03179 -0.00621 0.01150 131 3PY 0.00751 -0.00135 0.02069 -0.01295 0.00525 132 3PZ 0.00778 0.00014 0.00121 0.00611 0.00037 133 4XX -0.00092 -0.00003 -0.00036 0.00265 -0.00163 134 4YY 0.00017 -0.00039 0.00087 -0.00173 0.00055 135 4ZZ -0.00050 -0.00047 -0.00155 0.00033 0.00056 136 4XY 0.00007 -0.00037 -0.00067 0.00252 0.00074 137 4XZ -0.00114 0.00007 -0.00210 0.00128 -0.00019 138 4YZ 0.00049 -0.00025 -0.00104 0.00140 0.00029 139 18 H 1S -0.00161 0.00109 -0.00105 -0.00625 0.00654 140 2S -0.00508 -0.00096 -0.00807 -0.00086 0.00370 141 19 O 1S 0.00001 0.00021 0.00074 -0.00139 -0.00066 142 2S -0.00059 -0.00148 -0.00001 0.00520 0.00116 143 2PX 0.00209 0.00087 -0.00994 0.02586 0.00457 144 2PY 0.00350 0.00314 0.00005 -0.00371 0.01138 145 2PZ -0.00418 -0.00131 -0.00780 0.01648 -0.00981 146 3S 0.00132 0.00367 -0.01231 0.00764 0.00273 147 3PX 0.00212 0.00075 -0.01199 0.02374 0.00319 148 3PY 0.00402 0.00360 -0.00175 -0.00327 0.00885 149 3PZ -0.00349 -0.00253 -0.00682 0.01707 -0.00547 150 4XX -0.00086 -0.00007 0.00102 -0.00093 -0.00070 151 4YY 0.00015 -0.00010 0.00069 -0.00005 0.00042 152 4ZZ 0.00014 -0.00042 -0.00005 0.00064 0.00017 153 4XY 0.00016 -0.00007 -0.00049 0.00066 0.00030 154 4XZ -0.00017 0.00007 0.00004 -0.00026 -0.00021 155 4YZ 0.00007 -0.00019 0.00002 0.00011 -0.00039 156 20 O 1S -0.00447 0.00124 -0.00164 0.00838 -0.00231 157 2S 0.00960 -0.00339 0.00098 -0.01857 0.00415 158 2PX 0.01821 -0.00614 0.00591 -0.01243 0.01345 159 2PY 0.00503 -0.00450 -0.00075 -0.03109 0.01806 160 2PZ 0.02212 -0.00843 -0.00285 -0.02058 0.03044 161 3S 0.02701 -0.00436 0.01800 -0.02751 0.01420 162 3PX 0.01209 -0.00447 0.00652 -0.00869 0.01046 163 3PY -0.00200 -0.00333 -0.00534 -0.01880 0.00956 164 3PZ 0.01267 -0.00583 -0.00688 -0.01340 0.01985 165 4XX 0.00019 -0.00039 0.00000 -0.00045 0.00034 166 4YY 0.00023 0.00003 -0.00064 0.00149 -0.00081 167 4ZZ -0.00143 0.00011 -0.00159 -0.00029 -0.00048 168 4XY -0.00077 0.00045 -0.00066 0.00034 -0.00029 169 4XZ -0.00179 0.00033 -0.00045 0.00070 -0.00073 170 4YZ -0.00146 0.00046 0.00005 0.00141 -0.00148 171 21 C 1S -0.00329 0.00005 0.00042 0.00215 -0.00093 172 2S 0.00906 0.00032 -0.00083 -0.00211 0.00274 173 2PX 0.00785 0.00097 -0.00237 -0.00321 0.00252 174 2PY 0.00183 0.00006 -0.00245 0.00571 0.00021 175 2PZ 0.01832 -0.00432 -0.00496 -0.01752 0.00967 176 3S 0.01117 -0.00019 -0.00240 -0.00294 0.00370 177 3PX -0.00735 -0.00476 -0.00092 0.00224 -0.00300 178 3PY -0.00497 0.00071 -0.00066 0.00042 0.00014 179 3PZ 0.01918 -0.00414 -0.00711 -0.00571 0.01056 180 4XX -0.00064 -0.00036 0.00001 0.00118 0.00002 181 4YY -0.00022 -0.00026 -0.00012 -0.00037 0.00006 182 4ZZ 0.00038 0.00035 -0.00005 -0.00069 -0.00030 183 4XY 0.00009 -0.00014 0.00029 -0.00087 0.00002 184 4XZ -0.00050 0.00006 -0.00002 -0.00079 -0.00006 185 4YZ 0.00027 -0.00019 0.00046 -0.00189 0.00109 186 22 H 1S -0.00372 -0.00104 0.00045 0.00560 -0.00050 187 2S -0.00933 -0.00522 -0.00187 0.00917 -0.00121 188 23 H 1S 0.00803 0.00102 -0.00059 -0.01213 0.00231 189 2S -0.01068 0.00202 0.00673 -0.00947 -0.00805 76 77 78 79 80 76 3PY 0.08588 77 3PZ 0.00766 0.09075 78 4XX 0.00455 0.00530 0.00113 79 4YY -0.00601 -0.00087 -0.00033 0.00121 80 4ZZ 0.00319 -0.00238 -0.00017 -0.00033 0.00105 81 4XY 0.00005 -0.00023 -0.00040 0.00003 0.00038 82 4XZ 0.00025 0.00507 -0.00023 -0.00007 0.00033 83 4YZ 0.00090 0.00612 0.00042 -0.00025 -0.00018 84 10 H 1S 0.04175 0.08294 0.00244 -0.00577 0.00363 85 2S 0.03395 0.07120 0.00132 -0.00435 0.00445 86 11 H 1S 0.04135 0.03922 0.01149 -0.00487 -0.00662 87 2S 0.02995 0.02572 0.01043 -0.00283 -0.00646 88 12 C 1S 0.01397 0.00322 0.00206 -0.00683 0.00208 89 2S -0.04158 -0.00966 -0.00506 0.01180 -0.00477 90 2PX 0.00017 0.00076 0.00024 0.00036 -0.00063 91 2PY -0.14639 0.00196 -0.00708 0.00827 -0.00813 92 2PZ -0.01490 -0.00678 0.00043 0.00048 0.00080 93 3S -0.03363 -0.00817 -0.00421 0.01297 -0.00656 94 3PX 0.00181 0.00278 0.00048 0.00017 -0.00073 95 3PY -0.06475 0.00902 -0.00296 0.00461 -0.00445 96 3PZ -0.00910 -0.00863 -0.00045 0.00073 0.00071 97 4XX 0.00296 -0.00045 0.00013 -0.00014 0.00028 98 4YY -0.00462 0.00071 -0.00014 -0.00006 -0.00018 99 4ZZ 0.00444 0.00073 0.00028 -0.00018 0.00010 100 4XY 0.00021 -0.00025 -0.00031 0.00002 0.00028 101 4XZ -0.00052 -0.00016 0.00004 0.00013 -0.00008 102 4YZ 0.00008 0.00526 0.00030 -0.00010 -0.00016 103 13 H 1S 0.01813 -0.00845 -0.00095 0.00175 0.00161 104 2S 0.02465 -0.00580 -0.00070 -0.00149 0.00325 105 14 H 1S 0.01273 -0.01222 0.00038 0.00276 -0.00026 106 2S 0.02123 -0.01139 0.00188 -0.00031 0.00040 107 15 C 1S 0.00085 -0.00127 -0.00017 0.00005 0.00010 108 2S -0.00100 0.00195 0.00043 -0.00014 -0.00005 109 2PX 0.00749 0.01818 0.00142 -0.00112 0.00045 110 2PY -0.00145 0.00014 0.00010 0.00098 -0.00111 111 2PZ 0.01047 0.01479 0.00137 -0.00090 0.00048 112 3S 0.00211 0.02036 0.00139 0.00026 -0.00033 113 3PX 0.00968 0.00944 0.00147 -0.00078 -0.00014 114 3PY -0.00078 0.00151 -0.00037 0.00090 -0.00036 115 3PZ 0.00394 0.01534 0.00129 -0.00035 -0.00008 116 4XX 0.00025 -0.00020 0.00000 0.00006 0.00003 117 4YY -0.00050 0.00046 0.00000 -0.00001 -0.00001 118 4ZZ -0.00008 -0.00077 -0.00004 -0.00001 -0.00004 119 4XY -0.00040 0.00015 -0.00007 -0.00012 0.00024 120 4XZ 0.00020 0.00019 0.00003 0.00006 -0.00008 121 4YZ -0.00075 0.00030 -0.00007 -0.00013 0.00020 122 16 H 1S -0.00473 -0.00307 -0.00050 -0.00037 0.00053 123 2S -0.00674 -0.00339 -0.00091 -0.00020 0.00066 124 17 C 1S -0.00153 -0.00311 -0.00041 0.00002 -0.00071 125 2S -0.00069 0.00601 0.00046 -0.00044 0.00039 126 2PX -0.00820 0.00178 -0.00105 -0.00241 0.00459 127 2PY 0.00236 -0.00101 0.00006 -0.00090 0.00118 128 2PZ -0.00976 0.00685 -0.00134 -0.00246 0.00366 129 3S 0.00025 -0.00597 0.00010 -0.00193 0.00176 130 3PX -0.00630 0.01040 -0.00074 -0.00187 0.00343 131 3PY -0.00021 0.00828 0.00012 -0.00015 0.00075 132 3PZ -0.00480 -0.00123 -0.00114 -0.00175 0.00268 133 4XX 0.00103 0.00221 -0.00015 -0.00006 0.00024 134 4YY -0.00030 -0.00003 0.00004 0.00009 -0.00008 135 4ZZ -0.00096 -0.00251 0.00005 0.00005 -0.00017 136 4XY -0.00040 -0.00078 -0.00009 0.00006 0.00003 137 4XZ 0.00011 -0.00054 -0.00012 -0.00001 0.00016 138 4YZ -0.00086 -0.00120 -0.00013 0.00004 0.00000 139 18 H 1S 0.00366 -0.00274 0.00098 0.00039 -0.00090 140 2S 0.00288 -0.00762 0.00068 0.00065 -0.00135 141 19 O 1S 0.00031 0.00119 0.00004 -0.00004 -0.00007 142 2S -0.00169 -0.00312 -0.00018 -0.00001 0.00014 143 2PX 0.00795 -0.00209 -0.00035 -0.00056 -0.00002 144 2PY 0.00147 -0.00665 -0.00002 -0.00024 0.00066 145 2PZ 0.00788 0.00187 -0.00015 -0.00030 -0.00126 146 3S 0.00056 -0.01042 -0.00035 0.00020 -0.00016 147 3PX 0.00613 -0.00365 -0.00055 -0.00032 0.00000 148 3PY 0.00121 -0.00585 0.00000 -0.00020 0.00047 149 3PZ 0.00420 -0.00024 -0.00026 -0.00007 -0.00093 150 4XX 0.00017 0.00061 0.00007 -0.00005 -0.00002 151 4YY -0.00011 0.00010 0.00001 -0.00003 0.00003 152 4ZZ -0.00045 0.00006 -0.00005 0.00001 0.00004 153 4XY 0.00028 -0.00015 -0.00001 -0.00001 -0.00001 154 4XZ 0.00025 0.00019 0.00001 0.00001 -0.00001 155 4YZ 0.00016 0.00026 0.00000 -0.00005 0.00000 156 20 O 1S 0.00264 0.00095 0.00014 -0.00007 0.00013 157 2S -0.00503 -0.00117 -0.00029 0.00012 -0.00040 158 2PX -0.01905 -0.02779 0.00092 0.00022 -0.00224 159 2PY -0.00888 -0.01358 -0.00024 0.00054 0.00010 160 2PZ -0.03005 -0.04829 0.00025 0.00078 -0.00181 161 3S -0.00733 0.00316 -0.00059 0.00044 -0.00016 162 3PX -0.01349 -0.01963 0.00078 0.00045 -0.00192 163 3PY -0.00607 -0.01096 -0.00013 0.00037 -0.00007 164 3PZ -0.02004 -0.03607 0.00032 0.00083 -0.00189 165 4XX -0.00079 -0.00089 -0.00003 -0.00008 0.00010 166 4YY 0.00050 0.00054 -0.00002 -0.00001 0.00000 167 4ZZ 0.00048 -0.00017 0.00005 0.00006 -0.00010 168 4XY 0.00084 0.00070 -0.00005 -0.00001 0.00010 169 4XZ -0.00009 -0.00054 0.00002 -0.00002 -0.00001 170 4YZ 0.00138 0.00194 0.00000 0.00001 0.00001 171 21 C 1S 0.00061 -0.00086 -0.00002 0.00007 -0.00007 172 2S -0.00100 0.00003 -0.00013 -0.00026 0.00031 173 2PX -0.00027 0.00163 0.00008 -0.00029 0.00045 174 2PY -0.00102 -0.00025 -0.00010 0.00006 0.00004 175 2PZ -0.00547 0.00069 -0.00011 0.00016 0.00025 176 3S -0.00052 0.00039 -0.00031 -0.00036 0.00070 177 3PX -0.00296 -0.00093 0.00023 0.00004 -0.00033 178 3PY -0.00060 -0.00170 0.00022 0.00001 -0.00011 179 3PZ -0.00458 -0.00646 -0.00043 0.00024 -0.00014 180 4XX -0.00041 -0.00132 0.00004 0.00000 -0.00014 181 4YY -0.00036 -0.00059 -0.00002 0.00003 -0.00003 182 4ZZ 0.00068 0.00184 -0.00001 -0.00002 0.00014 183 4XY -0.00095 -0.00079 0.00006 0.00003 -0.00009 184 4XZ -0.00017 -0.00014 0.00002 0.00000 -0.00001 185 4YZ -0.00100 -0.00153 0.00005 0.00004 -0.00005 186 22 H 1S -0.00113 -0.00515 0.00001 0.00012 -0.00060 187 2S -0.00426 -0.01010 0.00014 0.00038 -0.00132 188 23 H 1S -0.00034 0.00659 0.00011 -0.00020 0.00062 189 2S 0.00286 0.01559 0.00053 -0.00023 0.00073 81 82 83 84 85 81 4XY 0.00095 82 4XZ 0.00054 0.00130 83 4YZ -0.00004 0.00042 0.00091 84 10 H 1S 0.00695 0.01313 0.00749 0.21529 85 2S 0.00698 0.01253 0.00650 0.17307 0.15892 86 11 H 1S -0.01022 -0.00744 0.00361 -0.02500 -0.05204 87 2S -0.00915 -0.00858 0.00245 -0.05356 -0.06139 88 12 C 1S 0.00001 0.00011 0.00031 0.00840 0.01009 89 2S -0.00002 -0.00018 -0.00028 -0.02008 -0.02084 90 2PX -0.01155 -0.00065 -0.00043 -0.01885 -0.03503 91 2PY -0.00034 0.00060 0.00010 -0.02734 -0.05261 92 2PZ -0.00029 -0.00059 -0.01048 -0.01616 -0.02231 93 3S 0.00016 -0.00163 -0.00037 -0.03333 -0.03226 94 3PX -0.00535 -0.00063 -0.00012 -0.00936 -0.01823 95 3PY 0.00020 0.00052 0.00010 -0.01271 -0.02121 96 3PZ 0.00024 -0.00015 -0.00526 -0.01227 -0.01143 97 4XX 0.00031 0.00004 -0.00030 0.00039 0.00189 98 4YY -0.00002 0.00013 0.00010 0.00275 -0.00032 99 4ZZ -0.00028 -0.00008 0.00016 -0.00025 0.00040 100 4XY 0.00089 0.00042 0.00003 0.00568 0.00581 101 4XZ -0.00042 -0.00011 -0.00036 -0.00207 -0.00284 102 4YZ 0.00003 0.00036 0.00065 0.00549 0.00499 103 13 H 1S 0.00761 0.00093 -0.00178 0.01704 0.03052 104 2S 0.00741 0.00200 -0.00143 0.03249 0.04135 105 14 H 1S -0.00567 -0.00208 -0.00549 -0.03157 -0.03521 106 2S -0.00579 -0.00285 -0.00500 -0.03522 -0.03752 107 15 C 1S -0.00010 -0.00018 -0.00019 -0.00124 -0.00320 108 2S -0.00003 0.00024 -0.00007 0.00103 0.00339 109 2PX -0.00026 0.00165 0.00050 0.00605 0.02199 110 2PY 0.00047 -0.00062 -0.00021 -0.00207 -0.00743 111 2PZ -0.00017 0.00134 0.00023 0.00384 0.01343 112 3S 0.00040 0.00187 0.00164 0.01568 0.02779 113 3PX -0.00081 0.00006 -0.00037 -0.00286 0.00369 114 3PY 0.00055 0.00044 0.00061 0.00665 0.00428 115 3PZ 0.00005 0.00093 0.00080 0.00498 0.01382 116 4XX 0.00005 -0.00004 0.00002 -0.00012 0.00001 117 4YY 0.00002 0.00006 -0.00002 0.00032 0.00033 118 4ZZ -0.00004 -0.00009 -0.00001 -0.00055 -0.00110 119 4XY 0.00000 0.00029 0.00005 0.00128 0.00256 120 4XZ 0.00003 -0.00008 0.00005 -0.00051 -0.00035 121 4YZ 0.00001 0.00030 0.00005 0.00126 0.00282 122 16 H 1S -0.00014 0.00044 0.00009 0.00247 0.00446 123 2S 0.00005 0.00083 0.00029 0.00465 0.00590 124 17 C 1S -0.00011 -0.00081 -0.00005 -0.00263 -0.00283 125 2S 0.00043 0.00162 0.00026 0.00806 0.01143 126 2PX 0.00025 0.00572 0.00064 0.02531 0.05157 127 2PY -0.00006 0.00109 0.00023 0.00455 0.00979 128 2PZ 0.00017 0.00603 0.00063 0.02412 0.05074 129 3S 0.00004 0.00101 -0.00124 -0.00334 0.00322 130 3PX 0.00085 0.00534 0.00131 0.03166 0.05087 131 3PY 0.00052 0.00189 0.00081 0.01294 0.02065 132 3PZ 0.00002 0.00365 -0.00022 0.01167 0.02777 133 4XX -0.00009 0.00014 0.00005 0.00042 0.00044 134 4YY 0.00002 -0.00004 -0.00002 -0.00006 -0.00015 135 4ZZ 0.00000 -0.00017 -0.00005 -0.00122 -0.00139 136 4XY 0.00001 -0.00001 -0.00004 -0.00009 -0.00070 137 4XZ -0.00005 -0.00002 -0.00003 -0.00067 -0.00052 138 4YZ 0.00000 0.00001 -0.00004 -0.00002 -0.00017 139 18 H 1S 0.00011 -0.00130 -0.00010 -0.00512 -0.01067 140 2S -0.00020 -0.00176 -0.00041 -0.00981 -0.01722 141 19 O 1S 0.00020 0.00011 0.00014 0.00058 0.00121 142 2S -0.00047 -0.00016 -0.00015 -0.00069 -0.00104 143 2PX -0.00080 -0.00059 -0.00081 -0.00313 -0.01766 144 2PY 0.00022 0.00033 0.00016 0.00275 0.00417 145 2PZ -0.00112 -0.00133 -0.00077 -0.00693 -0.02059 146 3S -0.00093 -0.00111 -0.00109 -0.00619 -0.01249 147 3PX -0.00060 -0.00060 -0.00079 -0.00336 -0.01547 148 3PY 0.00006 0.00009 -0.00008 0.00131 0.00145 149 3PZ -0.00079 -0.00110 -0.00050 -0.00539 -0.01641 150 4XX -0.00004 0.00003 0.00003 0.00001 0.00042 151 4YY 0.00000 0.00006 0.00005 0.00039 0.00062 152 4ZZ 0.00004 0.00004 0.00005 0.00029 0.00048 153 4XY -0.00002 -0.00002 -0.00005 -0.00021 -0.00079 154 4XZ 0.00005 -0.00001 0.00001 0.00001 0.00008 155 4YZ -0.00005 0.00002 -0.00001 0.00001 -0.00007 156 20 O 1S -0.00014 -0.00013 -0.00001 -0.00177 -0.00269 157 2S 0.00034 0.00031 -0.00010 0.00218 0.00416 158 2PX 0.00076 0.00009 -0.00011 0.00117 0.00434 159 2PY 0.00014 -0.00041 -0.00023 -0.00040 0.00206 160 2PZ 0.00109 -0.00039 -0.00069 -0.00143 0.00444 161 3S 0.00080 0.00116 0.00073 0.01642 0.01704 162 3PX 0.00051 -0.00034 0.00011 0.00081 0.00080 163 3PY -0.00004 -0.00063 -0.00034 -0.00445 -0.00283 164 3PZ 0.00072 -0.00109 -0.00072 -0.00560 -0.00443 165 4XX 0.00001 0.00016 -0.00002 0.00021 0.00130 166 4YY 0.00003 0.00000 -0.00004 -0.00032 -0.00042 167 4ZZ -0.00003 -0.00024 -0.00005 -0.00157 -0.00218 168 4XY -0.00004 -0.00003 -0.00002 -0.00023 -0.00037 169 4XZ -0.00007 -0.00005 -0.00001 -0.00065 -0.00047 170 4YZ -0.00006 -0.00007 0.00002 -0.00028 -0.00097 171 21 C 1S -0.00013 -0.00031 -0.00004 -0.00112 -0.00173 172 2S 0.00022 0.00060 0.00002 0.00309 0.00488 173 2PX 0.00040 0.00058 0.00003 0.00253 0.00484 174 2PY 0.00023 0.00013 -0.00015 -0.00028 -0.00067 175 2PZ 0.00061 0.00055 -0.00015 0.00309 0.00345 176 3S 0.00022 0.00098 0.00006 0.00385 0.00721 177 3PX 0.00002 -0.00021 0.00000 -0.00343 -0.00265 178 3PY -0.00030 -0.00028 -0.00003 -0.00247 -0.00302 179 3PZ 0.00032 0.00007 -0.00027 0.00142 -0.00121 180 4XX -0.00004 -0.00008 -0.00003 -0.00055 -0.00102 181 4YY -0.00002 -0.00005 -0.00002 -0.00024 -0.00017 182 4ZZ 0.00004 0.00010 0.00005 0.00047 0.00083 183 4XY 0.00003 -0.00001 0.00001 -0.00017 0.00030 184 4XZ 0.00000 -0.00002 0.00000 -0.00018 0.00000 185 4YZ 0.00003 -0.00002 0.00002 -0.00005 0.00052 186 22 H 1S -0.00026 -0.00048 -0.00011 -0.00241 -0.00501 187 2S -0.00035 -0.00118 -0.00027 -0.00705 -0.01207 188 23 H 1S 0.00045 0.00073 0.00012 0.00356 0.00648 189 2S 0.00022 0.00062 0.00042 0.00219 0.00729 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.16993 0.16626 88 12 C 1S 0.00761 0.00793 2.05092 89 2S -0.02000 -0.01756 -0.05341 0.30682 90 2PX 0.02272 0.04405 0.00090 -0.00095 0.41186 91 2PY -0.02938 -0.05180 0.00199 -0.00122 0.00500 92 2PZ -0.00281 -0.00229 -0.00338 0.00249 0.00314 93 3S -0.01943 -0.00384 -0.18586 0.27975 0.00648 94 3PX 0.01472 0.02326 0.00226 -0.00386 0.18596 95 3PY -0.01810 -0.02462 -0.00043 -0.00254 -0.00074 96 3PZ -0.00846 -0.00583 -0.00163 0.00937 -0.00746 97 4XX -0.00095 -0.00070 -0.01787 0.00019 -0.01073 98 4YY 0.00174 -0.00150 -0.01551 -0.00513 -0.00057 99 4ZZ 0.00162 0.00326 -0.01630 -0.00351 0.01055 100 4XY -0.00762 -0.00741 -0.00056 0.00106 -0.01583 101 4XZ 0.00091 0.00197 -0.00050 0.00110 0.01491 102 4YZ 0.00178 0.00143 0.00140 -0.00269 0.00003 103 13 H 1S -0.02780 -0.03451 -0.05306 0.10305 -0.24407 104 2S -0.03452 -0.04556 -0.00470 0.02008 -0.21325 105 14 H 1S 0.01698 0.03240 -0.05286 0.10195 0.18014 106 2S 0.03044 0.04125 -0.00701 0.02105 0.16485 107 15 C 1S 0.00008 -0.00157 -0.00159 0.00236 -0.00275 108 2S 0.00018 0.00339 0.00231 -0.00723 0.00838 109 2PX 0.00265 -0.00522 0.00600 -0.01598 0.01450 110 2PY -0.00031 0.00814 -0.00138 0.00411 -0.00285 111 2PZ 0.00232 -0.00184 0.00521 -0.01805 0.01390 112 3S 0.00045 0.00730 0.00605 -0.00121 0.00164 113 3PX 0.00975 0.00641 0.00469 -0.01724 0.02393 114 3PY -0.00533 0.00231 -0.00098 0.01047 -0.00747 115 3PZ 0.00139 0.00016 0.00664 -0.00696 0.00780 116 4XX 0.00007 0.00073 -0.00063 0.00056 -0.00092 117 4YY -0.00030 -0.00071 0.00003 -0.00028 0.00017 118 4ZZ 0.00031 0.00002 -0.00062 0.00050 -0.00050 119 4XY -0.00088 -0.00118 0.00037 -0.00055 -0.00007 120 4XZ 0.00045 0.00037 -0.00065 0.00101 -0.00114 121 4YZ -0.00090 -0.00185 0.00023 -0.00046 -0.00049 122 16 H 1S -0.00256 -0.00621 0.00046 0.00108 -0.00160 123 2S -0.00697 -0.01088 0.00048 0.00572 -0.00503 124 17 C 1S 0.00211 0.00286 -0.00135 0.00331 -0.00010 125 2S -0.00547 -0.00626 0.00251 -0.00447 0.00035 126 2PX -0.01756 -0.01626 0.00748 -0.01642 -0.00553 127 2PY -0.00281 -0.00549 0.00026 -0.00223 -0.00294 128 2PZ -0.01901 -0.03802 0.00675 -0.01382 -0.00339 129 3S -0.00478 -0.01424 0.00525 -0.02181 0.00049 130 3PX -0.02012 -0.02383 0.00500 -0.00780 -0.01194 131 3PY -0.00649 -0.00530 0.00097 0.00161 -0.00918 132 3PZ -0.01301 -0.02551 0.00472 -0.01514 -0.00207 133 4XX -0.00031 -0.00458 0.00003 0.00002 0.00010 134 4YY 0.00002 0.00153 -0.00008 0.00002 0.00039 135 4ZZ 0.00078 0.00304 -0.00049 0.00104 -0.00049 136 4XY -0.00020 -0.00010 -0.00020 0.00069 -0.00069 137 4XZ 0.00019 -0.00038 0.00000 0.00019 -0.00064 138 4YZ -0.00044 0.00012 -0.00011 0.00086 -0.00045 139 18 H 1S 0.00508 0.01534 -0.00132 0.00099 0.00111 140 2S 0.00722 0.01716 -0.00232 0.00126 0.00626 141 19 O 1S -0.00029 -0.00186 -0.00056 0.00099 -0.00448 142 2S 0.00059 0.00405 0.00228 -0.00252 0.00962 143 2PX 0.00034 -0.00768 0.00380 -0.01216 0.01822 144 2PY -0.00239 0.00836 -0.00114 -0.00117 -0.00507 145 2PZ 0.00405 -0.00691 0.00312 -0.00877 0.02212 146 3S 0.00245 0.01127 -0.00116 -0.00489 0.02702 147 3PX -0.00061 -0.00769 0.00097 -0.00699 0.01209 148 3PY -0.00185 0.00727 -0.00086 -0.00247 0.00198 149 3PZ 0.00295 -0.00401 0.00116 -0.00346 0.01267 150 4XX 0.00050 0.00018 0.00046 -0.00072 0.00019 151 4YY -0.00015 0.00006 0.00040 -0.00041 0.00023 152 4ZZ -0.00026 -0.00050 0.00021 0.00056 -0.00142 153 4XY -0.00004 -0.00018 0.00008 -0.00060 0.00078 154 4XZ 0.00001 -0.00031 -0.00030 0.00048 -0.00179 155 4YZ -0.00004 -0.00058 0.00031 -0.00067 0.00146 156 20 O 1S 0.00247 -0.00390 0.00035 -0.00090 0.00001 157 2S -0.00571 0.00520 -0.00037 0.00121 -0.00059 158 2PX -0.00294 0.03403 -0.00403 0.00893 0.00209 159 2PY -0.00146 0.03717 -0.00107 0.00202 -0.00350 160 2PZ -0.00482 0.06462 -0.00486 0.01104 -0.00419 161 3S -0.01332 0.00936 -0.00302 0.00783 0.00136 162 3PX 0.00014 0.02977 -0.00390 0.00955 0.00213 163 3PY 0.00175 0.02627 -0.00036 0.00117 -0.00403 164 3PZ -0.00081 0.04875 -0.00478 0.00935 -0.00350 165 4XX -0.00054 0.00006 0.00039 -0.00038 -0.00086 166 4YY -0.00055 -0.00276 0.00020 -0.00039 0.00015 167 4ZZ 0.00098 0.00098 0.00013 0.00006 0.00014 168 4XY 0.00014 -0.00087 0.00012 -0.00032 -0.00017 169 4XZ 0.00117 0.00114 0.00004 -0.00003 -0.00017 170 4YZ 0.00064 -0.00221 0.00012 -0.00006 -0.00007 171 21 C 1S 0.00189 0.00272 -0.00065 0.00136 -0.00329 172 2S -0.00551 -0.00660 0.00156 -0.00372 0.00906 173 2PX -0.00398 -0.00748 0.00189 -0.00416 0.00785 174 2PY -0.00119 -0.00478 0.00001 0.00041 -0.00187 175 2PZ -0.00843 -0.00091 0.00280 -0.00422 0.01833 176 3S -0.00813 -0.01071 0.00356 -0.00478 0.01117 177 3PX 0.00445 0.00292 -0.00052 0.00168 -0.00736 178 3PY 0.00432 0.00729 0.00086 -0.00110 0.00493 179 3PZ -0.00991 0.00070 0.00190 -0.00206 0.01919 180 4XX 0.00060 0.00160 -0.00032 0.00025 -0.00064 181 4YY 0.00010 0.00112 -0.00006 0.00027 -0.00022 182 4ZZ -0.00049 -0.00256 0.00026 -0.00041 0.00038 183 4XY 0.00027 0.00147 -0.00015 0.00060 -0.00009 184 4XZ 0.00039 0.00094 -0.00001 0.00004 -0.00050 185 4YZ 0.00016 0.00314 -0.00031 0.00062 -0.00027 186 22 H 1S 0.00266 0.00726 -0.00148 0.00242 -0.00373 187 2S 0.00702 0.01617 -0.00290 0.00563 -0.00933 188 23 H 1S -0.00401 -0.00757 0.00270 -0.00472 0.00804 189 2S 0.00597 -0.00842 -0.00011 -0.00130 -0.01067 91 92 93 94 95 91 2PY 0.38125 92 2PZ -0.00574 0.38896 93 3S 0.00795 -0.02478 0.30206 94 3PX 0.00357 -0.00070 0.00137 0.08586 95 3PY 0.17353 -0.00967 0.00728 0.00188 0.08589 96 3PZ -0.00609 0.17987 -0.00698 -0.00655 -0.00766 97 4XX -0.01030 0.01113 -0.00036 -0.00492 -0.00456 98 4YY 0.01508 -0.00100 -0.00513 -0.00020 0.00601 99 4ZZ -0.00819 -0.00581 -0.00015 0.00478 -0.00318 100 4XY -0.00030 -0.00040 0.00118 -0.00725 0.00004 101 4XZ 0.00053 0.01189 0.00236 0.00663 -0.00026 102 4YZ 0.00072 -0.01283 -0.00251 0.00016 0.00093 103 13 H 1S -0.09295 0.06729 0.08094 -0.11189 -0.04146 104 2S -0.07592 0.05556 -0.00682 -0.09434 -0.03003 105 14 H 1S -0.08056 0.17923 0.09108 0.07903 -0.04184 106 2S -0.06632 0.15937 0.01903 0.07318 -0.03404 107 15 C 1S 0.00037 -0.00218 0.00253 -0.00446 0.00152 108 2S 0.00111 0.01165 -0.00744 0.00430 0.00070 109 2PX -0.00149 0.01966 -0.01128 0.01169 0.00825 110 2PY 0.00184 -0.00130 -0.00166 -0.00523 0.00238 111 2PZ 0.00167 0.01862 -0.00079 -0.00413 0.00977 112 3S -0.00808 -0.01877 0.00830 0.00073 -0.00019 113 3PX -0.00044 0.03169 -0.00607 0.01151 0.00631 114 3PY -0.00127 -0.02060 0.01293 -0.00523 -0.00019 115 3PZ -0.00013 0.00118 0.00628 0.00039 0.00483 116 4XX 0.00003 -0.00036 0.00264 -0.00163 -0.00104 117 4YY 0.00039 0.00086 -0.00172 0.00055 0.00030 118 4ZZ 0.00048 -0.00154 0.00030 0.00056 0.00096 119 4XY -0.00037 0.00068 -0.00251 -0.00074 -0.00040 120 4XZ -0.00007 -0.00209 0.00127 -0.00019 -0.00011 121 4YZ -0.00025 0.00104 -0.00140 -0.00029 -0.00086 122 16 H 1S -0.00108 -0.00101 -0.00633 0.00653 -0.00366 123 2S 0.00100 -0.00796 -0.00095 0.00371 -0.00287 124 17 C 1S 0.00132 -0.00447 0.00485 0.00199 -0.00085 125 2S -0.00183 0.00621 -0.00902 -0.00102 0.00100 126 2PX -0.00839 0.02312 -0.04182 -0.01621 -0.00753 127 2PY -0.00296 -0.00044 0.00880 -0.00246 -0.00147 128 2PZ -0.00673 0.01776 -0.03602 -0.00598 -0.01048 129 3S -0.00389 0.04387 -0.04196 -0.00320 -0.00217 130 3PX -0.01245 0.01013 -0.02832 -0.01260 -0.00970 131 3PY -0.00416 -0.00925 0.00538 -0.00701 -0.00077 132 3PZ -0.00051 0.02301 -0.03129 -0.00618 -0.00396 133 4XX -0.00020 -0.00037 -0.00109 0.00048 -0.00025 134 4YY 0.00053 0.00052 0.00032 -0.00016 0.00051 135 4ZZ 0.00051 -0.00123 0.00203 -0.00013 0.00008 136 4XY -0.00008 -0.00080 0.00000 -0.00060 -0.00040 137 4XZ -0.00001 -0.00047 -0.00124 -0.00079 -0.00020 138 4YZ -0.00028 -0.00108 -0.00021 0.00027 -0.00075 139 18 H 1S 0.00171 -0.00124 0.01423 -0.00070 0.00473 140 2S 0.00757 -0.00090 0.01822 0.00230 0.00673 141 19 O 1S -0.00124 -0.00165 0.00837 -0.00231 -0.00265 142 2S 0.00340 0.00099 -0.01854 0.00416 0.00504 143 2PX 0.00615 0.00593 -0.01258 0.01346 0.01908 144 2PY -0.00452 0.00074 0.03109 -0.01813 -0.00899 145 2PZ 0.00846 -0.00279 -0.02068 0.03042 0.03012 146 3S 0.00434 0.01800 -0.02748 0.01421 0.00735 147 3PX 0.00447 0.00653 -0.00882 0.01046 0.01351 148 3PY -0.00336 0.00534 0.01880 -0.00960 -0.00615 149 3PZ 0.00585 -0.00683 -0.01349 0.01983 0.02009 150 4XX 0.00039 0.00000 -0.00045 0.00034 0.00079 151 4YY -0.00003 -0.00064 0.00149 -0.00081 -0.00051 152 4ZZ -0.00010 -0.00159 -0.00030 -0.00048 -0.00047 153 4XY 0.00045 0.00066 -0.00034 0.00029 0.00084 154 4XZ -0.00033 -0.00045 0.00070 -0.00073 0.00010 155 4YZ 0.00046 -0.00005 -0.00142 0.00148 0.00139 156 20 O 1S -0.00021 0.00074 -0.00140 -0.00066 -0.00032 157 2S 0.00149 -0.00001 0.00521 0.00117 0.00171 158 2PX -0.00084 -0.00991 0.02568 0.00457 -0.00796 159 2PY 0.00314 -0.00003 0.00377 -0.01137 0.00147 160 2PZ 0.00134 -0.00774 0.01636 -0.00985 -0.00791 161 3S -0.00363 -0.01228 0.00765 0.00275 -0.00053 162 3PX -0.00072 -0.01195 0.02358 0.00319 -0.00614 163 3PY 0.00358 0.00176 0.00329 -0.00885 0.00120 164 3PZ 0.00255 -0.00677 0.01696 -0.00550 -0.00421 165 4XX 0.00006 0.00102 -0.00092 -0.00070 -0.00017 166 4YY 0.00010 0.00069 -0.00005 0.00042 0.00011 167 4ZZ 0.00042 -0.00005 0.00063 0.00017 0.00045 168 4XY -0.00007 0.00049 -0.00065 -0.00030 0.00028 169 4XZ -0.00007 0.00004 -0.00026 -0.00021 -0.00025 170 4YZ -0.00019 -0.00002 -0.00011 0.00039 0.00016 171 21 C 1S -0.00005 0.00042 0.00214 -0.00092 -0.00061 172 2S -0.00032 -0.00082 -0.00212 0.00274 0.00099 173 2PX -0.00096 -0.00237 -0.00323 0.00253 0.00027 174 2PY 0.00004 0.00246 -0.00567 -0.00022 -0.00102 175 2PZ 0.00433 -0.00494 -0.01748 0.00967 0.00548 176 3S 0.00020 -0.00239 -0.00294 0.00371 0.00052 177 3PX 0.00475 -0.00092 0.00221 -0.00300 0.00295 178 3PY 0.00070 0.00068 -0.00041 -0.00016 -0.00062 179 3PZ 0.00416 -0.00708 -0.00572 0.01055 0.00459 180 4XX 0.00036 0.00001 0.00117 0.00002 0.00041 181 4YY 0.00026 -0.00012 -0.00037 0.00007 0.00036 182 4ZZ -0.00035 -0.00005 -0.00067 -0.00031 -0.00069 183 4XY -0.00014 -0.00029 0.00087 -0.00002 -0.00095 184 4XZ -0.00006 -0.00002 -0.00078 -0.00006 0.00017 185 4YZ -0.00019 -0.00046 0.00190 -0.00109 -0.00100 186 22 H 1S 0.00104 0.00045 0.00556 -0.00050 0.00113 187 2S 0.00523 -0.00186 0.00908 -0.00122 0.00426 188 23 H 1S -0.00102 -0.00060 -0.01207 0.00231 0.00034 189 2S -0.00205 0.00670 -0.00937 -0.00804 -0.00286 96 97 98 99 100 96 3PZ 0.09072 97 4XX 0.00528 0.00113 98 4YY -0.00085 -0.00033 0.00121 99 4ZZ -0.00239 -0.00017 -0.00033 0.00105 100 4XY 0.00023 0.00040 -0.00003 -0.00038 0.00096 101 4XZ 0.00509 -0.00023 -0.00007 0.00033 -0.00054 102 4YZ -0.00611 -0.00042 0.00025 0.00018 -0.00004 103 13 H 1S 0.03904 0.01149 -0.00485 -0.00664 0.01025 104 2S 0.02557 0.01044 -0.00281 -0.00649 0.00918 105 14 H 1S 0.08297 0.00242 -0.00575 0.00364 -0.00696 106 2S 0.07123 0.00130 -0.00434 0.00446 -0.00699 107 15 C 1S -0.00310 -0.00041 0.00002 -0.00071 0.00011 108 2S 0.00599 0.00046 -0.00043 0.00039 -0.00044 109 2PX 0.00172 -0.00106 -0.00241 0.00460 -0.00026 110 2PY 0.00092 -0.00006 0.00090 -0.00118 -0.00006 111 2PZ 0.00678 -0.00135 -0.00246 0.00367 -0.00018 112 3S -0.00601 0.00009 -0.00192 0.00176 -0.00003 113 3PX 0.01035 -0.00075 -0.00187 0.00344 -0.00086 114 3PY -0.00825 -0.00012 0.00015 -0.00076 0.00052 115 3PZ -0.00124 -0.00115 -0.00175 0.00269 -0.00002 116 4XX 0.00221 -0.00015 -0.00006 0.00024 0.00009 117 4YY -0.00003 0.00004 0.00009 -0.00008 -0.00002 118 4ZZ -0.00249 0.00005 0.00005 -0.00017 0.00000 119 4XY 0.00077 0.00009 -0.00006 -0.00003 0.00001 120 4XZ -0.00054 -0.00012 -0.00001 0.00016 0.00005 121 4YZ 0.00121 0.00013 -0.00004 0.00000 0.00000 122 16 H 1S -0.00267 0.00098 0.00039 -0.00090 -0.00011 123 2S -0.00751 0.00069 0.00064 -0.00134 0.00020 124 17 C 1S -0.00127 -0.00017 0.00005 0.00010 0.00010 125 2S 0.00195 0.00043 -0.00014 -0.00004 0.00004 126 2PX 0.01809 0.00142 -0.00112 0.00045 0.00026 127 2PY -0.00010 -0.00011 -0.00097 0.00111 0.00047 128 2PZ 0.01471 0.00136 -0.00090 0.00048 0.00017 129 3S 0.02031 0.00139 0.00026 -0.00033 -0.00040 130 3PX 0.00939 0.00147 -0.00079 -0.00013 0.00082 131 3PY -0.00151 0.00037 -0.00090 0.00036 0.00056 132 3PZ 0.01526 0.00129 -0.00035 -0.00008 -0.00005 133 4XX -0.00021 0.00000 0.00006 0.00003 -0.00005 134 4YY 0.00046 0.00000 -0.00001 -0.00001 -0.00002 135 4ZZ -0.00077 -0.00004 -0.00001 -0.00004 0.00004 136 4XY -0.00015 0.00007 0.00012 -0.00025 0.00000 137 4XZ 0.00018 0.00003 0.00006 -0.00009 -0.00003 138 4YZ -0.00029 0.00007 0.00013 -0.00020 0.00001 139 18 H 1S -0.00303 -0.00050 -0.00037 0.00053 0.00014 140 2S -0.00337 -0.00091 -0.00020 0.00066 -0.00005 141 19 O 1S 0.00096 0.00014 -0.00007 0.00013 0.00014 142 2S -0.00119 -0.00029 0.00012 -0.00040 -0.00034 143 2PX -0.02772 0.00093 0.00022 -0.00224 -0.00076 144 2PY 0.01368 0.00024 -0.00054 -0.00010 0.00014 145 2PZ -0.04814 0.00025 0.00078 -0.00182 -0.00110 146 3S 0.00311 -0.00059 0.00044 -0.00016 -0.00080 147 3PX -0.01958 0.00078 0.00045 -0.00192 -0.00051 148 3PY 0.01102 0.00013 -0.00037 0.00007 -0.00004 149 3PZ -0.03596 0.00033 0.00083 -0.00189 -0.00072 150 4XX -0.00089 -0.00003 -0.00008 0.00010 -0.00001 151 4YY 0.00055 -0.00002 -0.00001 0.00000 -0.00003 152 4ZZ -0.00017 0.00005 0.00006 -0.00010 0.00003 153 4XY -0.00070 0.00005 0.00001 -0.00010 -0.00004 154 4XZ -0.00054 0.00003 -0.00002 -0.00001 0.00007 155 4YZ -0.00193 0.00000 -0.00001 -0.00001 -0.00006 156 20 O 1S 0.00120 0.00004 -0.00004 -0.00007 -0.00020 157 2S -0.00313 -0.00018 0.00000 0.00014 0.00047 158 2PX -0.00205 -0.00035 -0.00056 -0.00002 0.00080 159 2PY 0.00659 0.00002 0.00024 -0.00066 0.00022 160 2PZ 0.00189 -0.00015 -0.00030 -0.00126 0.00112 161 3S -0.01043 -0.00035 0.00020 -0.00016 0.00093 162 3PX -0.00361 -0.00054 -0.00032 0.00000 0.00060 163 3PY 0.00582 0.00000 0.00020 -0.00047 0.00006 164 3PZ -0.00021 -0.00026 -0.00007 -0.00093 0.00079 165 4XX 0.00061 0.00007 -0.00005 -0.00002 0.00004 166 4YY 0.00010 0.00001 -0.00003 0.00003 0.00000 167 4ZZ 0.00006 -0.00004 0.00001 0.00004 -0.00004 168 4XY 0.00015 0.00001 0.00001 0.00001 -0.00002 169 4XZ 0.00019 0.00001 0.00001 -0.00001 -0.00005 170 4YZ -0.00026 0.00000 0.00005 0.00000 -0.00005 171 21 C 1S -0.00087 -0.00002 0.00007 -0.00007 0.00013 172 2S 0.00006 -0.00013 -0.00026 0.00031 -0.00022 173 2PX 0.00167 0.00008 -0.00029 0.00045 -0.00040 174 2PY 0.00024 0.00010 -0.00006 -0.00004 0.00023 175 2PZ 0.00070 -0.00011 0.00016 0.00026 -0.00062 176 3S 0.00041 -0.00031 -0.00036 0.00070 -0.00022 177 3PX -0.00091 0.00023 0.00004 -0.00034 -0.00002 178 3PY 0.00171 -0.00022 -0.00001 0.00011 -0.00030 179 3PZ -0.00643 -0.00043 0.00024 -0.00014 -0.00032 180 4XX -0.00132 0.00004 0.00000 -0.00014 0.00004 181 4YY -0.00059 -0.00002 0.00003 -0.00003 0.00002 182 4ZZ 0.00184 -0.00001 -0.00002 0.00014 -0.00004 183 4XY 0.00079 -0.00006 -0.00003 0.00009 0.00003 184 4XZ -0.00014 0.00002 0.00000 -0.00001 0.00000 185 4YZ 0.00153 -0.00005 -0.00004 0.00005 0.00003 186 22 H 1S -0.00515 0.00001 0.00012 -0.00060 0.00026 187 2S -0.01008 0.00015 0.00038 -0.00132 0.00035 188 23 H 1S 0.00659 0.00011 -0.00020 0.00062 -0.00045 189 2S 0.01555 0.00053 -0.00022 0.00073 -0.00022 101 102 103 104 105 101 4XZ 0.00130 102 4YZ -0.00042 0.00091 103 13 H 1S -0.00740 -0.00360 0.21593 104 2S -0.00854 -0.00243 0.16994 0.16630 105 14 H 1S 0.01312 -0.00751 -0.02500 -0.05357 0.21529 106 2S 0.01252 -0.00651 -0.05206 -0.06144 0.17309 107 15 C 1S -0.00080 0.00005 0.00210 0.00287 -0.00262 108 2S 0.00161 -0.00026 -0.00547 -0.00626 0.00803 109 2PX 0.00571 -0.00064 -0.01760 -0.01632 0.02530 110 2PY -0.00110 0.00024 0.00283 0.00558 -0.00458 111 2PZ 0.00603 -0.00063 -0.01904 -0.03810 0.02413 112 3S 0.00100 0.00124 -0.00475 -0.01426 -0.00342 113 3PX 0.00534 -0.00131 -0.02016 -0.02393 0.03164 114 3PY -0.00189 0.00081 0.00650 0.00534 -0.01291 115 3PZ 0.00366 0.00021 -0.01304 -0.02563 0.01170 116 4XX 0.00014 -0.00006 -0.00031 -0.00458 0.00042 117 4YY -0.00004 0.00002 0.00002 0.00153 -0.00006 118 4ZZ -0.00017 0.00005 0.00078 0.00305 -0.00121 119 4XY 0.00001 -0.00004 0.00019 0.00009 0.00009 120 4XZ -0.00002 0.00003 0.00020 -0.00037 -0.00066 121 4YZ -0.00001 -0.00004 0.00044 -0.00013 0.00003 122 16 H 1S -0.00130 0.00010 0.00506 0.01531 -0.00510 123 2S -0.00175 0.00041 0.00719 0.01710 -0.00974 124 17 C 1S -0.00018 0.00019 0.00009 -0.00156 -0.00125 125 2S 0.00024 0.00007 0.00016 0.00335 0.00105 126 2PX 0.00165 -0.00050 0.00262 -0.00531 0.00605 127 2PY 0.00062 -0.00022 0.00031 -0.00815 0.00206 128 2PZ 0.00135 -0.00023 0.00230 -0.00191 0.00384 129 3S 0.00188 -0.00163 0.00046 0.00729 0.01568 130 3PX 0.00007 0.00037 0.00972 0.00633 -0.00284 131 3PY -0.00044 0.00061 0.00530 -0.00237 -0.00665 132 3PZ 0.00093 -0.00080 0.00139 0.00012 0.00495 133 4XX -0.00004 -0.00002 0.00008 0.00074 -0.00012 134 4YY 0.00006 0.00002 -0.00031 -0.00072 0.00033 135 4ZZ -0.00010 0.00001 0.00031 0.00003 -0.00055 136 4XY -0.00029 0.00005 0.00088 0.00119 -0.00128 137 4XZ -0.00008 -0.00005 0.00045 0.00037 -0.00051 138 4YZ -0.00030 0.00005 0.00090 0.00185 -0.00126 139 18 H 1S 0.00044 -0.00009 -0.00257 -0.00623 0.00249 140 2S 0.00083 -0.00029 -0.00698 -0.01089 0.00466 141 19 O 1S -0.00013 0.00001 0.00248 -0.00390 -0.00177 142 2S 0.00031 0.00011 -0.00572 0.00520 0.00219 143 2PX 0.00009 0.00011 -0.00292 0.03408 0.00116 144 2PY 0.00041 -0.00024 0.00146 -0.03732 0.00041 145 2PZ -0.00040 0.00069 -0.00478 0.06462 -0.00144 146 3S 0.00116 -0.00073 -0.01335 0.00938 0.01641 147 3PX -0.00035 -0.00011 0.00016 0.02982 0.00080 148 3PY 0.00063 -0.00034 -0.00175 -0.02637 0.00446 149 3PZ -0.00110 0.00072 -0.00078 0.04876 -0.00561 150 4XX 0.00016 0.00002 -0.00054 0.00006 0.00021 151 4YY 0.00000 0.00004 -0.00055 -0.00277 -0.00032 152 4ZZ -0.00024 0.00005 0.00098 0.00099 -0.00157 153 4XY 0.00003 -0.00002 -0.00014 0.00087 0.00023 154 4XZ -0.00005 0.00001 0.00117 0.00114 -0.00065 155 4YZ 0.00007 0.00002 -0.00064 0.00220 0.00028 156 20 O 1S 0.00011 -0.00014 -0.00029 -0.00186 0.00058 157 2S -0.00016 0.00015 0.00059 0.00406 -0.00069 158 2PX -0.00059 0.00081 0.00035 -0.00764 -0.00313 159 2PY -0.00033 0.00016 0.00238 -0.00835 -0.00274 160 2PZ -0.00133 0.00077 0.00407 -0.00689 -0.00692 161 3S -0.00111 0.00109 0.00244 0.01128 -0.00617 162 3PX -0.00059 0.00079 -0.00060 -0.00766 -0.00335 163 3PY -0.00009 -0.00008 0.00185 -0.00726 -0.00131 164 3PZ -0.00109 0.00050 0.00296 -0.00399 -0.00539 165 4XX 0.00003 -0.00003 0.00050 0.00018 0.00001 166 4YY 0.00006 -0.00005 -0.00015 0.00006 0.00039 167 4ZZ 0.00004 -0.00005 -0.00026 -0.00049 0.00029 168 4XY 0.00002 -0.00005 0.00004 0.00018 0.00021 169 4XZ -0.00001 -0.00001 0.00001 -0.00030 0.00001 170 4YZ -0.00002 -0.00001 0.00004 0.00058 -0.00001 171 21 C 1S -0.00031 0.00004 0.00189 0.00272 -0.00112 172 2S 0.00060 -0.00002 -0.00551 -0.00662 0.00309 173 2PX 0.00058 -0.00003 -0.00398 -0.00749 0.00252 174 2PY -0.00013 -0.00015 0.00121 0.00479 0.00028 175 2PZ 0.00055 0.00014 -0.00843 -0.00090 0.00309 176 3S 0.00098 -0.00007 -0.00813 -0.01073 0.00385 177 3PX -0.00021 0.00001 0.00445 0.00291 -0.00343 178 3PY 0.00028 -0.00003 -0.00430 -0.00729 0.00247 179 3PZ 0.00007 0.00027 -0.00992 0.00070 0.00143 180 4XX -0.00008 0.00003 0.00060 0.00161 -0.00055 181 4YY -0.00005 0.00002 0.00010 0.00113 -0.00024 182 4ZZ 0.00010 -0.00005 -0.00050 -0.00257 0.00047 183 4XY 0.00001 0.00001 -0.00027 -0.00147 0.00017 184 4XZ -0.00002 0.00000 0.00039 0.00094 -0.00018 185 4YZ 0.00002 0.00002 -0.00016 -0.00313 0.00005 186 22 H 1S -0.00048 0.00012 0.00266 0.00728 -0.00241 187 2S -0.00118 0.00027 0.00703 0.01621 -0.00705 188 23 H 1S 0.00073 -0.00012 -0.00402 -0.00758 0.00355 189 2S 0.00062 -0.00042 0.00595 -0.00845 0.00220 106 107 108 109 110 106 2S 0.15894 107 15 C 1S -0.00279 2.05255 108 2S 0.01136 -0.06339 0.33290 109 2PX 0.05153 -0.01202 0.01859 0.34624 110 2PY -0.00984 -0.00509 0.01307 -0.04018 0.43068 111 2PZ 0.05073 0.01512 -0.02722 0.02212 0.02895 112 3S 0.00307 -0.17196 0.27240 0.09824 -0.01729 113 3PX 0.05084 -0.01876 0.03662 0.16687 -0.03763 114 3PY -0.02064 -0.00738 0.00401 -0.05109 0.12291 115 3PZ 0.02778 0.00258 -0.01656 0.08141 -0.01251 116 4XX 0.00044 -0.01177 -0.01308 -0.01163 -0.00702 117 4YY -0.00015 -0.01725 -0.00102 0.00621 0.01259 118 4ZZ -0.00138 -0.01571 -0.00410 0.00187 -0.01308 119 4XY 0.00071 0.00020 -0.00034 -0.00115 -0.00496 120 4XZ -0.00051 0.00345 -0.00810 0.01109 0.00918 121 4YZ 0.00017 -0.00424 0.00860 0.01263 -0.00763 122 16 H 1S -0.01064 -0.06821 0.13567 0.06586 -0.16908 123 2S -0.01714 -0.02048 0.04650 0.03969 -0.13835 124 17 C 1S -0.00321 0.01947 -0.04084 -0.01346 -0.08011 125 2S 0.00343 -0.04084 0.07591 0.02576 0.16574 126 2PX 0.02197 -0.01337 0.02558 0.16094 -0.01960 127 2PY 0.00737 0.08017 -0.16587 0.01930 -0.32465 128 2PZ 0.01341 -0.01078 0.01958 0.09936 -0.03431 129 3S 0.02781 0.00179 0.02807 0.06639 0.12932 130 3PX 0.00370 -0.00341 0.00362 0.09437 -0.01950 131 3PY -0.00431 0.00108 -0.01891 0.02429 -0.10081 132 3PZ 0.01377 -0.00659 0.01813 0.06392 -0.03864 133 4XX 0.00000 0.00325 -0.00760 0.00047 -0.01313 134 4YY 0.00034 -0.00653 0.01193 -0.00091 0.00800 135 4ZZ -0.00111 0.00345 -0.00793 -0.00234 -0.01007 136 4XY -0.00256 0.00006 -0.00036 -0.01259 0.00564 137 4XZ -0.00036 -0.00132 0.00307 0.00016 0.00448 138 4YZ -0.00282 -0.00083 0.00174 -0.00512 -0.00033 139 18 H 1S 0.00448 0.01654 -0.03647 -0.00835 -0.04028 140 2S 0.00592 0.02040 -0.04061 -0.02371 -0.06415 141 19 O 1S -0.00270 0.00537 -0.00688 0.02953 0.00844 142 2S 0.00418 -0.00989 0.01075 -0.06594 -0.03102 143 2PX 0.00434 -0.05683 0.12362 -0.16678 -0.10844 144 2PY -0.00208 -0.02553 0.05175 -0.09879 -0.03187 145 2PZ 0.00442 0.03477 -0.06519 0.17838 0.07021 146 3S 0.01707 0.01400 -0.02636 -0.06856 0.04041 147 3PX 0.00079 -0.02659 0.06227 -0.10144 -0.05736 148 3PY 0.00282 -0.01948 0.03883 -0.07150 -0.02516 149 3PZ -0.00444 0.01512 -0.02654 0.08267 0.04079 150 4XX 0.00130 -0.00368 0.00604 0.00642 -0.00824 151 4YY -0.00042 -0.00126 0.00121 -0.00467 -0.00050 152 4ZZ -0.00217 -0.00089 0.00059 -0.00145 -0.00487 153 4XY 0.00037 -0.00464 0.00907 -0.00889 0.00339 154 4XZ -0.00047 0.00489 -0.00779 0.00430 0.00310 155 4YZ 0.00097 0.00277 -0.00505 0.01130 -0.00410 156 20 O 1S 0.00121 -0.00177 0.00495 -0.00445 0.00161 157 2S -0.00103 0.00717 -0.01547 0.01395 -0.01725 158 2PX -0.01763 0.01255 -0.02724 -0.07075 -0.03226 159 2PY -0.00412 -0.02271 0.05460 -0.02748 0.05825 160 2PZ -0.02055 0.00196 -0.00180 -0.04869 0.05133 161 3S -0.01246 -0.00337 -0.00397 0.01641 0.03059 162 3PX -0.01543 0.00940 -0.02044 -0.05942 -0.01725 163 3PY -0.00141 -0.01410 0.03730 -0.01905 0.03991 164 3PZ -0.01638 0.00232 -0.00380 -0.04772 0.04124 165 4XX 0.00042 0.00027 0.00014 0.00368 -0.00416 166 4YY 0.00062 0.00139 -0.00234 0.00091 -0.00259 167 4ZZ 0.00048 0.00101 -0.00119 -0.00256 -0.00249 168 4XY 0.00079 0.00070 -0.00154 0.00302 -0.00608 169 4XZ 0.00008 0.00006 -0.00020 0.00117 -0.00136 170 4YZ 0.00007 -0.00092 0.00213 -0.00170 0.00473 171 21 C 1S -0.00173 -0.00316 0.00630 -0.00913 0.01013 172 2S 0.00488 0.00672 -0.01757 0.02191 -0.03217 173 2PX 0.00482 0.01114 -0.02807 0.02079 -0.01613 174 2PY 0.00067 -0.00216 0.00472 -0.03527 -0.02095 175 2PZ 0.00345 -0.00867 0.02123 -0.03435 0.02125 176 3S 0.00721 0.00989 -0.01228 0.04433 -0.05396 177 3PX -0.00267 0.00779 -0.01318 0.01208 -0.01700 178 3PY 0.00304 -0.00138 0.00392 -0.03150 -0.00050 179 3PZ -0.00120 -0.00627 0.01182 -0.03282 0.02177 180 4XX -0.00102 -0.00162 0.00400 -0.00734 -0.00167 181 4YY -0.00017 0.00217 -0.00464 0.00889 0.00518 182 4ZZ 0.00082 -0.00094 0.00176 -0.00480 -0.00206 183 4XY -0.00030 0.00103 -0.00239 0.00014 -0.00067 184 4XZ 0.00000 0.00005 -0.00046 0.00444 -0.00026 185 4YZ -0.00052 0.00001 -0.00012 -0.00417 0.00251 186 22 H 1S -0.00500 -0.00481 0.01265 -0.02123 -0.00580 187 2S -0.01207 -0.00437 0.01311 -0.04170 0.00555 188 23 H 1S 0.00647 -0.00289 0.00541 -0.00917 -0.00539 189 2S 0.00728 -0.00328 0.00505 0.00162 -0.00263 111 112 113 114 115 111 2PZ 0.37886 112 3S -0.02425 0.30218 113 3PX 0.08370 0.06502 0.10753 114 3PY -0.01637 0.00113 -0.03281 0.05314 115 3PZ 0.16321 0.01242 0.06595 -0.02386 0.09331 116 4XX 0.01128 -0.01109 -0.00268 -0.00135 0.00337 117 4YY -0.00555 -0.00004 -0.00020 0.00171 -0.00081 118 4ZZ -0.00482 -0.00312 0.00076 -0.00225 -0.00239 119 4XY 0.01135 -0.00071 0.00124 -0.00301 0.00446 120 4XZ -0.00700 -0.00263 0.00148 0.00128 0.00020 121 4YZ -0.00938 0.01358 0.00464 -0.00211 -0.00057 122 16 H 1S -0.19084 0.13824 0.01468 -0.04019 -0.06420 123 2S -0.15454 0.05310 -0.00281 -0.02939 -0.05322 124 17 C 1S -0.01101 0.00180 -0.00347 -0.00102 -0.00663 125 2S 0.02005 0.02807 0.00374 0.01879 0.01824 126 2PX 0.09939 0.06611 0.09439 -0.02438 0.06396 127 2PY 0.03342 -0.12958 0.01932 -0.10076 0.03837 128 2PZ 0.11879 0.07381 0.05074 -0.02200 0.08169 129 3S 0.07429 -0.02100 0.03386 -0.01294 0.04423 130 3PX 0.05078 0.03368 0.04460 -0.01946 0.04242 131 3PY 0.02175 0.01274 0.01941 -0.02619 0.02096 132 3PZ 0.08159 0.04407 0.04239 -0.02100 0.04846 133 4XX -0.00042 -0.00418 0.00001 -0.00386 0.00090 134 4YY 0.00079 0.01064 0.00135 0.00339 -0.00131 135 4ZZ -0.00383 -0.00858 -0.00232 -0.00223 -0.00164 136 4XY -0.00419 -0.00611 -0.00720 0.00242 -0.00480 137 4XZ 0.00034 0.00376 0.00085 0.00203 -0.00145 138 4YZ -0.01435 0.00376 -0.00559 0.00311 -0.00723 139 18 H 1S 0.00074 -0.06702 0.00166 -0.02501 0.00184 140 2S 0.00803 -0.06604 -0.00133 -0.02215 -0.00052 141 19 O 1S -0.02341 0.03365 -0.00190 0.00927 0.00882 142 2S 0.05396 -0.08565 0.00927 -0.02011 -0.02164 143 2PX 0.18555 0.03602 -0.02838 -0.01437 0.03336 144 2PY 0.06640 0.06393 0.00550 0.04342 0.00090 145 2PZ -0.08060 -0.07380 0.06530 0.02441 -0.03152 146 3S 0.04692 -0.14496 0.00225 -0.00577 -0.03626 147 3PX 0.09083 0.00385 -0.02096 -0.00218 0.00666 148 3PY 0.04920 0.04541 0.00213 0.02760 0.00150 149 3PZ -0.05650 -0.04402 0.02603 0.01820 -0.02939 150 4XX 0.00738 0.00706 0.00485 -0.00343 0.00474 151 4YY 0.00290 0.00256 -0.00001 0.00238 0.00049 152 4ZZ -0.00970 0.00267 -0.00309 -0.00096 -0.00348 153 4XY 0.01056 0.00460 -0.00132 0.00224 0.00177 154 4XZ 0.00129 -0.00512 0.00089 0.00065 0.00175 155 4YZ -0.00183 -0.00392 0.00492 -0.00177 0.00036 156 20 O 1S 0.00858 -0.01910 0.00040 -0.00865 0.00034 157 2S -0.01592 0.03950 0.00019 0.01380 0.00415 158 2PX -0.04715 -0.05188 -0.06279 0.00292 -0.01594 159 2PY 0.01358 0.11863 0.01234 0.06999 -0.02558 160 2PZ -0.05760 -0.02244 -0.04574 0.04212 -0.04498 161 3S -0.06692 0.06990 -0.00816 0.04759 -0.02586 162 3PX -0.04763 -0.04010 -0.05123 0.00649 -0.02008 163 3PY 0.01444 0.07832 0.00951 0.04589 -0.01459 164 3PZ -0.05140 -0.02352 -0.03958 0.03265 -0.03823 165 4XX 0.00503 0.00129 0.00203 -0.00205 0.00335 166 4YY 0.00125 -0.00668 0.00009 -0.00370 0.00189 167 4ZZ -0.00056 -0.00189 -0.00056 -0.00107 -0.00081 168 4XY 0.00085 0.00119 0.00307 -0.00152 0.00019 169 4XZ -0.00027 0.00024 0.00084 0.00009 -0.00043 170 4YZ 0.00040 0.00089 -0.00049 0.00055 0.00013 171 21 C 1S 0.00382 0.00670 -0.00601 0.00711 0.00105 172 2S -0.01023 -0.01118 0.01085 -0.01567 0.00196 173 2PX -0.02274 -0.04028 0.01472 -0.00222 -0.01111 174 2PY 0.03812 -0.01440 -0.02859 -0.02782 0.02412 175 2PZ 0.00274 0.03381 -0.02621 0.00353 -0.00500 176 3S -0.00803 0.00695 0.01789 -0.02482 0.01202 177 3PX -0.01132 -0.01714 0.00542 -0.00310 -0.00397 178 3PY 0.03295 -0.00615 -0.00955 -0.00235 0.00881 179 3PZ -0.00864 0.00196 -0.02104 0.01079 -0.01369 180 4XX 0.00611 0.00033 -0.00298 0.00046 0.00145 181 4YY -0.00718 -0.00421 0.00355 0.00211 -0.00332 182 4ZZ 0.00339 0.00361 -0.00142 -0.00189 0.00199 183 4XY -0.00422 -0.00110 -0.00345 -0.00191 0.00079 184 4XZ -0.00261 0.00243 0.00084 -0.00050 -0.00028 185 4YZ -0.00146 0.00005 -0.00060 0.00299 -0.00241 186 22 H 1S 0.01275 0.00895 -0.01223 -0.00077 0.00416 187 2S 0.00476 -0.00500 -0.02402 0.00972 -0.00725 188 23 H 1S 0.00811 0.02075 -0.00569 -0.00941 0.00565 189 2S 0.02478 0.03059 0.00485 -0.01304 0.01771 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00081 0.00124 118 4ZZ -0.00057 -0.00025 0.00166 119 4XY 0.00068 -0.00016 -0.00042 0.00146 120 4XZ -0.00036 0.00086 -0.00048 -0.00038 0.00146 121 4YZ -0.00059 0.00001 0.00006 -0.00046 0.00023 122 16 H 1S -0.01029 -0.00134 0.00728 -0.00492 -0.00221 123 2S -0.00708 -0.00115 0.00780 -0.00505 -0.00107 124 17 C 1S 0.00324 -0.00653 0.00346 -0.00007 -0.00133 125 2S -0.00759 0.01193 -0.00794 0.00038 0.00307 126 2PX 0.00050 -0.00093 -0.00232 0.01259 0.00018 127 2PY 0.01313 -0.00798 0.01007 0.00562 -0.00448 128 2PZ -0.00038 0.00072 -0.00375 0.00420 0.00034 129 3S -0.00418 0.01065 -0.00858 0.00614 0.00379 130 3PX 0.00004 0.00132 -0.00230 0.00720 0.00086 131 3PY 0.00387 -0.00340 0.00224 0.00241 -0.00203 132 3PZ 0.00091 -0.00133 -0.00160 0.00480 -0.00144 133 4XX 0.00057 -0.00034 0.00024 -0.00016 0.00000 134 4YY -0.00034 -0.00010 -0.00026 0.00009 -0.00023 135 4ZZ 0.00023 -0.00026 0.00074 0.00003 -0.00019 136 4XY 0.00016 -0.00008 -0.00004 0.00000 -0.00036 137 4XZ 0.00000 -0.00023 -0.00019 0.00036 0.00004 138 4YZ -0.00047 0.00007 0.00022 -0.00055 0.00017 139 18 H 1S 0.00286 0.00068 0.00199 0.00224 -0.00135 140 2S 0.00381 -0.00246 0.00396 0.00105 -0.00287 141 19 O 1S -0.00408 0.00186 -0.00015 -0.00472 0.00481 142 2S 0.01018 -0.00415 0.00084 0.01095 -0.01111 143 2PX -0.00969 -0.00835 0.01392 0.00472 -0.02045 144 2PY 0.01249 -0.01672 0.00483 -0.01111 -0.01398 145 2PZ -0.02964 0.00732 0.02319 -0.01511 0.00359 146 3S 0.00913 -0.00035 -0.00056 0.01374 -0.00831 147 3PX -0.00840 -0.00482 0.01120 0.00029 -0.01238 148 3PY 0.00828 -0.01110 0.00302 -0.00643 -0.00953 149 3PZ -0.02040 0.00452 0.01586 -0.00911 0.00056 150 4XX -0.00053 -0.00009 0.00032 0.00036 -0.00026 151 4YY 0.00073 -0.00087 0.00021 -0.00085 -0.00067 152 4ZZ -0.00006 0.00012 -0.00011 0.00000 0.00029 153 4XY -0.00044 -0.00033 0.00031 0.00003 -0.00095 154 4XZ -0.00015 0.00020 0.00014 -0.00023 0.00045 155 4YZ -0.00104 0.00016 0.00112 -0.00036 0.00013 156 20 O 1S 0.00017 -0.00113 -0.00041 0.00019 -0.00019 157 2S -0.00013 0.00172 0.00103 -0.00005 0.00040 158 2PX -0.00182 0.00322 0.00312 -0.00571 -0.00061 159 2PY 0.00128 -0.00525 -0.00023 0.00352 -0.00129 160 2PZ -0.00149 -0.00191 0.00375 0.00396 -0.00218 161 3S -0.00332 0.00284 0.00163 -0.00090 0.00219 162 3PX -0.00100 0.00166 0.00236 -0.00407 -0.00033 163 3PY 0.00137 -0.00393 -0.00032 0.00219 -0.00113 164 3PZ -0.00132 -0.00071 0.00283 0.00123 -0.00133 165 4XX -0.00005 0.00009 -0.00001 0.00046 -0.00004 166 4YY 0.00012 0.00005 0.00004 -0.00039 -0.00013 167 4ZZ 0.00028 -0.00010 -0.00004 0.00010 0.00003 168 4XY 0.00034 -0.00045 0.00017 0.00033 -0.00009 169 4XZ 0.00007 -0.00027 0.00014 0.00002 -0.00007 170 4YZ -0.00012 0.00028 -0.00037 -0.00037 0.00016 171 21 C 1S -0.00035 0.00097 -0.00114 0.00146 0.00001 172 2S 0.00109 -0.00241 0.00264 -0.00346 -0.00075 173 2PX 0.00363 -0.00311 0.00372 -0.00387 -0.00315 174 2PY 0.00022 0.00267 -0.00409 0.00847 0.00030 175 2PZ -0.00250 0.00293 -0.00354 0.00434 0.00327 176 3S -0.00050 -0.00182 0.00212 -0.00259 0.00119 177 3PX -0.00005 -0.00128 0.00288 -0.00192 -0.00119 178 3PY 0.00246 -0.00101 -0.00153 0.00350 -0.00166 179 3PZ -0.00320 0.00132 0.00095 0.00043 -0.00021 180 4XX -0.00073 -0.00007 0.00058 -0.00016 -0.00060 181 4YY -0.00023 0.00019 0.00040 -0.00003 0.00024 182 4ZZ 0.00112 -0.00013 -0.00110 0.00034 0.00016 183 4XY 0.00018 0.00054 -0.00069 0.00038 0.00063 184 4XZ -0.00044 0.00030 -0.00005 0.00031 0.00052 185 4YZ 0.00103 -0.00052 -0.00027 -0.00013 -0.00022 186 22 H 1S -0.00346 0.00043 0.00137 -0.00038 -0.00037 187 2S -0.00562 0.00071 0.00374 -0.00106 -0.00177 188 23 H 1S 0.00242 0.00013 -0.00360 0.00183 0.00183 189 2S 0.00650 0.00011 -0.00764 0.00380 0.00289 121 122 123 124 125 121 4YZ 0.00192 122 16 H 1S 0.01374 0.21548 123 2S 0.00998 0.15283 0.12393 124 17 C 1S 0.00080 0.01654 0.02041 2.05255 125 2S -0.00168 -0.03649 -0.04065 -0.06338 0.33286 126 2PX 0.00512 -0.00830 -0.02369 -0.01204 0.01863 127 2PY -0.00042 0.04033 0.06423 0.00503 -0.01298 128 2PZ 0.01435 0.00086 0.00822 0.01510 -0.02720 129 3S -0.00370 -0.06700 -0.06605 -0.17210 0.27255 130 3PX 0.00559 0.00165 -0.00134 -0.01880 0.03669 131 3PY 0.00308 0.02500 0.02217 0.00734 -0.00392 132 3PZ 0.00722 0.00191 -0.00045 0.00253 -0.01643 133 4XX 0.00047 0.00286 0.00383 -0.01177 -0.01308 134 4YY -0.00007 0.00065 -0.00249 -0.01725 -0.00101 135 4ZZ -0.00022 0.00201 0.00397 -0.01570 -0.00411 136 4XY -0.00055 -0.00225 -0.00106 -0.00020 0.00034 137 4XZ -0.00018 -0.00136 -0.00287 0.00344 -0.00808 138 4YZ 0.00062 0.00731 0.00648 0.00424 -0.00860 139 18 H 1S -0.00733 -0.01120 -0.00665 -0.06819 0.13564 140 2S -0.00651 -0.00664 0.00087 -0.02048 0.04650 141 19 O 1S 0.00419 0.01459 0.01573 -0.00177 0.00495 142 2S -0.00917 -0.02982 -0.03190 0.00716 -0.01548 143 2PX -0.01407 -0.01403 -0.01602 0.01258 -0.02731 144 2PY 0.00986 0.01732 0.02193 0.02271 -0.05457 145 2PZ -0.00087 0.04333 0.07304 0.00204 -0.00200 146 3S -0.01643 -0.07740 -0.06869 -0.00338 -0.00398 147 3PX -0.00878 -0.00238 0.00172 0.00942 -0.02049 148 3PY 0.00551 0.00921 0.01052 0.01409 -0.03727 149 3PZ -0.00239 0.03205 0.04913 0.00239 -0.00396 150 4XX 0.00009 0.00288 0.00109 0.00027 0.00014 151 4YY 0.00082 0.00090 0.00185 0.00139 -0.00233 152 4ZZ 0.00035 0.00570 0.00403 0.00102 -0.00121 153 4XY -0.00054 -0.00312 -0.00327 -0.00070 0.00154 154 4XZ -0.00007 -0.00366 -0.00124 0.00006 -0.00019 155 4YZ 0.00011 0.00318 0.00428 0.00092 -0.00213 156 20 O 1S -0.00025 -0.00352 -0.00323 0.00536 -0.00686 157 2S 0.00048 0.00990 0.00967 -0.00987 0.01072 158 2PX 0.00497 0.02876 0.05948 -0.05682 0.12358 159 2PY -0.00300 -0.01996 -0.04330 0.02543 -0.05155 160 2PZ -0.00361 -0.00592 0.00645 0.03477 -0.06521 161 3S 0.00023 0.01896 0.01360 0.01406 -0.02644 162 3PX 0.00223 0.02011 0.04088 -0.02657 0.06224 163 3PY -0.00193 -0.01569 -0.03100 0.01943 -0.03874 164 3PZ -0.00308 -0.00334 0.00713 0.01513 -0.02658 165 4XX 0.00020 -0.00004 0.00016 -0.00369 0.00605 166 4YY 0.00029 0.00061 0.00204 -0.00126 0.00119 167 4ZZ -0.00046 -0.00074 -0.00140 -0.00090 0.00061 168 4XY -0.00023 0.00076 -0.00066 0.00463 -0.00906 169 4XZ 0.00019 0.00092 0.00084 0.00490 -0.00780 170 4YZ -0.00001 -0.00109 -0.00142 -0.00277 0.00504 171 21 C 1S -0.00168 -0.00735 -0.00777 -0.00315 0.00630 172 2S 0.00393 0.02026 0.02247 0.00671 -0.01755 173 2PX 0.00431 0.01913 0.02701 0.01114 -0.02806 174 2PY -0.00716 -0.03005 -0.03198 0.00218 -0.00476 175 2PZ -0.00376 -0.01939 -0.03250 -0.00866 0.02119 176 3S 0.00486 0.02999 0.02717 0.00987 -0.01224 177 3PX 0.00177 0.01341 0.01776 0.00779 -0.01318 178 3PY -0.00356 -0.02407 -0.02344 0.00140 -0.00394 179 3PZ -0.00290 -0.00667 -0.00702 -0.00625 0.01178 180 4XX -0.00034 -0.00057 0.00090 -0.00162 0.00400 181 4YY -0.00008 0.00081 0.00129 0.00217 -0.00464 182 4ZZ 0.00022 -0.00195 -0.00370 -0.00094 0.00176 183 4XY 0.00005 -0.00002 0.00015 -0.00103 0.00239 184 4XZ -0.00015 0.00069 -0.00044 0.00004 -0.00046 185 4YZ 0.00040 -0.00062 -0.00037 0.00000 0.00011 186 22 H 1S -0.00170 -0.00083 0.00155 -0.00480 0.01263 187 2S -0.00353 -0.00208 0.00582 -0.00435 0.01307 188 23 H 1S 0.00071 -0.00729 -0.01726 -0.00290 0.00541 189 2S 0.00149 -0.01838 -0.03267 -0.00329 0.00507 126 127 128 129 130 126 2PX 0.34619 127 2PY 0.04012 0.43072 128 2PZ 0.02230 -0.02888 0.37876 129 3S 0.09845 0.01745 -0.02407 0.30259 130 3PX 0.16689 0.03754 0.08372 0.06520 0.10752 131 3PY 0.05098 0.12295 0.01634 -0.00104 0.03275 132 3PZ 0.08140 0.01235 0.16312 0.01257 0.06589 133 4XX -0.01164 0.00699 0.01133 -0.01111 -0.00269 134 4YY 0.00625 -0.01259 -0.00559 0.00000 -0.00019 135 4ZZ 0.00182 0.01309 -0.00482 -0.00314 0.00074 136 4XY 0.00111 -0.00496 -0.01132 0.00069 -0.00125 137 4XZ 0.01111 -0.00915 -0.00705 -0.00260 0.00148 138 4YZ -0.01261 -0.00773 0.00936 -0.01358 -0.00465 139 18 H 1S 0.06555 0.16935 -0.19070 0.13824 0.01459 140 2S 0.03945 0.13855 -0.15448 0.05308 -0.00290 141 19 O 1S -0.00446 -0.00163 0.00858 -0.01913 0.00040 142 2S 0.01397 0.01729 -0.01588 0.03956 0.00017 143 2PX -0.07079 0.03235 -0.04707 -0.05191 -0.06280 144 2PY 0.02761 0.05841 -0.01335 -0.11868 -0.01215 145 2PZ -0.04872 -0.05113 -0.05775 -0.02272 -0.04587 146 3S 0.01645 -0.03053 -0.06698 0.06993 -0.00818 147 3PX -0.05946 0.01732 -0.04759 -0.04016 -0.05126 148 3PY 0.01918 0.04002 -0.01428 -0.07833 -0.00936 149 3PZ -0.04775 -0.04105 -0.05151 -0.02374 -0.03968 150 4XX 0.00368 0.00415 0.00503 0.00130 0.00203 151 4YY 0.00091 0.00258 0.00126 -0.00668 0.00010 152 4ZZ -0.00256 0.00251 -0.00056 -0.00190 -0.00056 153 4XY -0.00303 -0.00608 -0.00086 -0.00119 -0.00307 154 4XZ 0.00117 0.00135 -0.00027 0.00024 0.00084 155 4YZ 0.00170 0.00473 -0.00039 -0.00089 0.00049 156 20 O 1S 0.02953 -0.00838 -0.02341 0.03366 -0.00188 157 2S -0.06593 0.03087 0.05397 -0.08566 0.00923 158 2PX -0.16705 0.10806 0.18564 0.03607 -0.02847 159 2PY 0.09840 -0.03158 -0.06623 -0.06374 -0.00560 160 2PZ 0.17837 -0.07002 -0.08089 -0.07378 0.06530 161 3S -0.06860 -0.04045 0.04688 -0.14506 0.00218 162 3PX -0.10161 0.05720 0.09091 0.00385 -0.02100 163 3PY 0.07135 -0.02498 -0.04911 -0.04529 -0.00215 164 3PZ 0.08269 -0.04070 -0.05671 -0.04403 0.02603 165 4XX 0.00641 0.00822 0.00739 0.00708 0.00484 166 4YY -0.00463 0.00050 0.00289 0.00254 0.00000 167 4ZZ -0.00147 0.00487 -0.00968 0.00268 -0.00310 168 4XY 0.00889 0.00341 -0.01055 -0.00459 0.00132 169 4XZ 0.00432 -0.00310 0.00126 -0.00513 0.00090 170 4YZ -0.01129 -0.00411 0.00185 0.00391 -0.00492 171 21 C 1S -0.00914 -0.01014 0.00380 0.00667 -0.00601 172 2S 0.02192 0.03220 -0.01018 -0.01114 0.01086 173 2PX 0.02081 0.01618 -0.02269 -0.04029 0.01477 174 2PY 0.03536 -0.02084 -0.03818 0.01435 0.02865 175 2PZ -0.03427 -0.02131 0.00265 0.03384 -0.02617 176 3S 0.04433 0.05398 -0.00795 0.00701 0.01790 177 3PX 0.01209 0.01702 -0.01127 -0.01714 0.00545 178 3PY 0.03160 -0.00039 -0.03293 0.00616 0.00962 179 3PZ -0.03278 -0.02175 -0.00874 0.00195 -0.02104 180 4XX -0.00735 0.00166 0.00610 0.00033 -0.00299 181 4YY 0.00888 -0.00517 -0.00719 -0.00421 0.00355 182 4ZZ -0.00478 0.00206 0.00340 0.00360 -0.00141 183 4XY -0.00016 -0.00067 0.00422 0.00110 0.00345 184 4XZ 0.00443 0.00026 -0.00260 0.00244 0.00084 185 4YZ 0.00420 0.00249 0.00144 -0.00006 0.00062 186 22 H 1S -0.02128 0.00578 0.01275 0.00896 -0.01227 187 2S -0.04177 -0.00555 0.00475 -0.00502 -0.02406 188 23 H 1S -0.00914 0.00536 0.00814 0.02078 -0.00568 189 2S 0.00170 0.00256 0.02481 0.03062 0.00488 131 132 133 134 135 131 3PY 0.05312 132 3PZ 0.02377 0.09319 133 4XX 0.00135 0.00336 0.00284 134 4YY -0.00171 -0.00081 -0.00081 0.00124 135 4ZZ 0.00225 -0.00239 -0.00057 -0.00025 0.00166 136 4XY -0.00301 -0.00445 -0.00067 0.00016 0.00042 137 4XZ -0.00128 0.00018 -0.00036 0.00086 -0.00048 138 4YZ -0.00214 0.00057 0.00059 -0.00001 -0.00006 139 18 H 1S 0.04029 -0.06419 -0.01031 -0.00132 0.00727 140 2S 0.02946 -0.05325 -0.00711 -0.00113 0.00780 141 19 O 1S 0.00867 0.00034 0.00017 -0.00114 -0.00041 142 2S -0.01383 0.00415 -0.00013 0.00172 0.00103 143 2PX -0.00295 -0.01587 -0.00181 0.00323 0.00311 144 2PY 0.07011 0.02574 -0.00128 0.00526 0.00022 145 2PZ -0.04200 -0.04487 -0.00149 -0.00191 0.00376 146 3S -0.04761 -0.02589 -0.00334 0.00285 0.00163 147 3PX -0.00650 -0.02005 -0.00099 0.00167 0.00235 148 3PY 0.04597 0.01471 -0.00137 0.00393 0.00031 149 3PZ -0.03256 -0.03815 -0.00131 -0.00071 0.00284 150 4XX 0.00205 0.00335 -0.00005 0.00009 -0.00001 151 4YY 0.00370 0.00190 0.00012 0.00005 0.00004 152 4ZZ 0.00107 -0.00081 0.00028 -0.00010 -0.00004 153 4XY -0.00153 -0.00019 -0.00034 0.00045 -0.00018 154 4XZ -0.00009 -0.00043 0.00007 -0.00027 0.00014 155 4YZ 0.00056 -0.00012 0.00012 -0.00028 0.00037 156 20 O 1S -0.00926 0.00879 -0.00408 0.00188 -0.00016 157 2S 0.02009 -0.02158 0.01019 -0.00418 0.00086 158 2PX 0.01426 0.03346 -0.00965 -0.00840 0.01395 159 2PY 0.04339 -0.00072 -0.01244 0.01666 -0.00483 160 2PZ -0.02434 -0.03143 -0.02968 0.00735 0.02319 161 3S 0.00576 -0.03617 0.00916 -0.00040 -0.00053 162 3PX 0.00215 0.00675 -0.00837 -0.00486 0.01122 163 3PY 0.02758 -0.00138 -0.00825 0.01107 -0.00302 164 3PZ -0.01816 -0.02931 -0.02043 0.00453 0.01586 165 4XX 0.00342 0.00474 -0.00053 -0.00009 0.00032 166 4YY -0.00237 0.00048 0.00073 -0.00086 0.00021 167 4ZZ 0.00096 -0.00347 -0.00005 0.00012 -0.00011 168 4XY 0.00224 -0.00177 0.00044 0.00033 -0.00031 169 4XZ -0.00065 0.00174 -0.00015 0.00020 0.00014 170 4YZ -0.00177 -0.00035 0.00104 -0.00017 -0.00112 171 21 C 1S -0.00710 0.00103 -0.00035 0.00096 -0.00113 172 2S 0.01567 0.00198 0.00108 -0.00240 0.00263 173 2PX 0.00228 -0.01112 0.00362 -0.00309 0.00370 174 2PY -0.02778 -0.02416 -0.00023 -0.00265 0.00408 175 2PZ -0.00362 -0.00502 -0.00250 0.00291 -0.00352 176 3S 0.02482 0.01203 -0.00051 -0.00181 0.00210 177 3PX 0.00313 -0.00395 -0.00005 -0.00127 0.00287 178 3PY -0.00231 -0.00878 -0.00246 0.00102 0.00152 179 3PZ -0.01080 -0.01368 -0.00320 0.00131 0.00097 180 4XX -0.00047 0.00146 -0.00073 -0.00007 0.00058 181 4YY -0.00211 -0.00333 -0.00023 0.00019 0.00040 182 4ZZ 0.00190 0.00199 0.00112 -0.00013 -0.00110 183 4XY -0.00191 -0.00079 -0.00018 -0.00054 0.00069 184 4XZ 0.00049 -0.00028 -0.00044 0.00030 -0.00005 185 4YZ 0.00298 0.00240 -0.00103 0.00052 0.00028 186 22 H 1S 0.00073 0.00419 -0.00346 0.00042 0.00137 187 2S -0.00975 -0.00720 -0.00561 0.00069 0.00375 188 23 H 1S 0.00940 0.00564 0.00242 0.00013 -0.00360 189 2S 0.01304 0.01767 0.00650 0.00011 -0.00765 136 137 138 139 140 136 4XY 0.00146 137 4XZ 0.00038 0.00147 138 4YZ -0.00045 -0.00023 0.00192 139 18 H 1S 0.00489 -0.00218 -0.01376 0.21550 140 2S 0.00502 -0.00104 -0.01000 0.15288 0.12401 141 19 O 1S -0.00019 -0.00019 0.00025 -0.00352 -0.00324 142 2S 0.00005 0.00040 -0.00048 0.00990 0.00968 143 2PX 0.00570 -0.00060 -0.00497 0.02879 0.05951 144 2PY 0.00352 0.00130 -0.00300 0.01996 0.04323 145 2PZ -0.00394 -0.00219 0.00359 -0.00581 0.00669 146 3S 0.00089 0.00220 -0.00022 0.01899 0.01367 147 3PX 0.00407 -0.00032 -0.00223 0.02013 0.04090 148 3PY 0.00218 0.00114 -0.00193 0.01569 0.03096 149 3PZ -0.00122 -0.00133 0.00307 -0.00326 0.00731 150 4XX -0.00047 -0.00004 -0.00020 -0.00004 0.00016 151 4YY 0.00039 -0.00013 -0.00029 0.00060 0.00203 152 4ZZ -0.00010 0.00003 0.00046 -0.00074 -0.00139 153 4XY 0.00033 0.00009 -0.00023 -0.00077 0.00066 154 4XZ -0.00002 -0.00007 -0.00020 0.00091 0.00084 155 4YZ -0.00037 -0.00016 -0.00002 0.00110 0.00143 156 20 O 1S 0.00471 0.00482 -0.00418 0.01458 0.01570 157 2S -0.01092 -0.01113 0.00915 -0.02980 -0.03184 158 2PX -0.00469 -0.02048 0.01400 -0.01397 -0.01590 159 2PY -0.01117 0.01393 0.00990 -0.01739 -0.02199 160 2PZ 0.01506 0.00362 0.00086 0.04334 0.07317 161 3S -0.01371 -0.00835 0.01642 -0.07739 -0.06861 162 3PX -0.00027 -0.01240 0.00874 -0.00234 0.00180 163 3PY -0.00647 0.00950 0.00554 -0.00925 -0.01055 164 3PZ 0.00908 0.00058 0.00238 0.03209 0.04926 165 4XX -0.00036 -0.00026 -0.00009 0.00288 0.00108 166 4YY 0.00086 -0.00067 -0.00082 0.00091 0.00186 167 4ZZ 0.00000 0.00029 -0.00035 0.00569 0.00403 168 4XY 0.00003 0.00095 -0.00054 0.00313 0.00327 169 4XZ 0.00023 0.00045 0.00007 -0.00366 -0.00123 170 4YZ -0.00036 -0.00013 0.00011 -0.00319 -0.00429 171 21 C 1S -0.00146 0.00001 0.00168 -0.00734 -0.00777 172 2S 0.00346 -0.00074 -0.00394 0.02026 0.02245 173 2PX 0.00387 -0.00314 -0.00432 0.01910 0.02695 174 2PY 0.00847 -0.00028 -0.00717 0.03008 0.03204 175 2PZ -0.00432 0.00326 0.00376 -0.01931 -0.03242 176 3S 0.00258 0.00120 -0.00487 0.02998 0.02715 177 3PX 0.00192 -0.00119 -0.00177 0.01340 0.01775 178 3PY 0.00349 0.00167 -0.00356 0.02407 0.02345 179 3PZ -0.00042 -0.00022 0.00289 -0.00659 -0.00692 180 4XX 0.00016 -0.00060 0.00033 -0.00057 0.00091 181 4YY 0.00003 0.00024 0.00008 0.00081 0.00129 182 4ZZ -0.00034 0.00016 -0.00022 -0.00195 -0.00371 183 4XY 0.00038 -0.00063 0.00005 0.00002 -0.00014 184 4XZ -0.00031 0.00052 0.00015 0.00069 -0.00044 185 4YZ -0.00013 0.00021 0.00040 0.00063 0.00038 186 22 H 1S 0.00038 -0.00037 0.00170 -0.00081 0.00160 187 2S 0.00106 -0.00177 0.00352 -0.00205 0.00589 188 23 H 1S -0.00183 0.00182 -0.00070 -0.00730 -0.01730 189 2S -0.00380 0.00289 -0.00147 -0.01842 -0.03276 141 142 143 144 145 141 19 O 1S 2.07557 142 2S -0.17799 0.50359 143 2PX 0.01250 -0.02848 0.64792 144 2PY 0.03973 -0.07465 0.02578 0.66572 145 2PZ -0.00477 0.00372 0.13783 -0.04098 0.71641 146 3S -0.24522 0.59249 -0.04935 -0.22004 0.05272 147 3PX 0.00937 -0.02092 0.40597 0.03477 0.15874 148 3PY 0.02573 -0.04922 0.03527 0.42243 -0.03762 149 3PZ -0.00452 0.00462 0.14602 -0.04614 0.46269 150 4XX -0.01520 -0.00285 0.01347 -0.00531 0.00322 151 4YY -0.01267 -0.00834 -0.00250 0.04106 -0.00245 152 4ZZ -0.01397 -0.00547 -0.00533 -0.00589 -0.00730 153 4XY 0.00149 -0.00343 0.02796 0.00807 0.00450 154 4XZ 0.00372 -0.00792 -0.00235 -0.00090 0.00742 155 4YZ -0.00139 0.00292 0.00402 -0.00306 0.02923 156 20 O 1S 0.00092 -0.00175 0.00451 0.01105 -0.00931 157 2S -0.00175 0.00434 -0.00771 -0.02889 0.01772 158 2PX 0.00452 -0.00773 0.00554 -0.00097 0.01627 159 2PY -0.01104 0.02886 0.00088 0.13550 -0.00559 160 2PZ -0.00934 0.01776 0.01622 0.00586 0.00702 161 3S -0.01294 0.02674 -0.03681 -0.05941 0.07057 162 3PX 0.00662 -0.01439 0.00625 -0.00137 0.00569 163 3PY -0.00452 0.01239 0.00190 0.10448 -0.01073 164 3PZ -0.01028 0.02059 0.00997 0.00182 0.01672 165 4XX 0.00031 -0.00032 0.00140 -0.00226 -0.00269 166 4YY 0.00035 -0.00119 -0.00051 0.00223 0.00073 167 4ZZ -0.00024 0.00068 0.00158 -0.00197 -0.00341 168 4XY -0.00079 0.00193 -0.00037 0.00332 -0.00069 169 4XZ -0.00022 0.00068 -0.00132 0.00299 0.00072 170 4YZ 0.00075 -0.00177 -0.00020 -0.00194 -0.00060 171 21 C 1S 0.00354 -0.00655 0.02525 -0.05973 -0.02426 172 2S -0.00182 0.00255 -0.05129 0.13121 0.04949 173 2PX -0.01530 0.03728 -0.05320 0.13980 0.05342 174 2PY 0.02796 -0.06674 0.12290 -0.21969 -0.13964 175 2PZ 0.01504 -0.03603 0.05837 -0.14529 -0.05286 176 3S 0.02924 -0.07391 -0.03116 0.09638 0.02275 177 3PX 0.00402 -0.00862 0.00235 0.05243 0.04084 178 3PY 0.00234 -0.00203 0.04745 -0.01926 -0.06256 179 3PZ -0.00332 0.00685 0.06075 -0.05205 0.03528 180 4XX 0.00248 -0.00539 0.02408 0.00103 0.00835 181 4YY -0.00615 0.01469 -0.01376 -0.00409 0.01597 182 4ZZ 0.00216 -0.00416 -0.00782 0.00114 -0.02693 183 4XY 0.00392 -0.00925 -0.00687 -0.01983 -0.01750 184 4XZ 0.00149 -0.00369 -0.00133 -0.01288 0.00132 185 4YZ -0.00459 0.01107 -0.01704 0.02150 -0.00882 186 22 H 1S 0.01026 -0.02490 0.06500 -0.01389 0.02891 187 2S 0.00569 -0.01481 0.11692 -0.03144 0.07567 188 23 H 1S 0.00889 -0.02015 -0.02510 -0.01446 -0.07387 189 2S 0.00532 -0.01017 -0.08180 -0.02779 -0.15908 146 147 148 149 150 146 3S 0.75616 147 3PX -0.03224 0.26576 148 3PY -0.14008 0.03216 0.26986 149 3PZ 0.04136 0.13783 -0.03453 0.30839 150 4XX -0.00420 0.00784 -0.00286 0.00301 0.00104 151 4YY -0.01836 -0.00029 0.02560 -0.00326 -0.00033 152 4ZZ -0.00645 -0.00400 -0.00371 -0.00471 0.00002 153 4XY -0.00489 0.01726 0.00593 0.00506 0.00037 154 4XZ -0.00741 -0.00076 -0.00086 0.00424 -0.00009 155 4YZ 0.00412 0.00508 -0.00251 0.01811 0.00023 156 20 O 1S -0.01295 0.00662 0.00454 -0.01027 0.00031 157 2S 0.02677 -0.01437 -0.01242 0.02057 -0.00032 158 2PX -0.03680 0.00628 -0.00196 0.01000 0.00140 159 2PY 0.05938 0.00132 0.10448 -0.00164 0.00226 160 2PZ 0.07080 0.00568 0.01094 0.01671 -0.00269 161 3S 0.08395 -0.02856 -0.02905 0.05942 -0.00148 162 3PX -0.02856 0.00661 -0.00118 0.00631 0.00031 163 3PY 0.02902 0.00114 0.07828 -0.00610 0.00118 164 3PZ 0.05957 0.00632 0.00624 0.02060 -0.00184 165 4XX -0.00148 0.00031 -0.00118 -0.00183 0.00050 166 4YY -0.00513 0.00009 0.00014 -0.00021 -0.00026 167 4ZZ 0.00135 0.00074 -0.00094 -0.00229 -0.00004 168 4XY 0.00244 0.00008 0.00244 -0.00040 0.00010 169 4XZ 0.00059 -0.00070 0.00180 0.00023 -0.00005 170 4YZ -0.00258 0.00036 -0.00155 -0.00015 0.00000 171 21 C 1S 0.02100 0.00731 -0.03519 -0.00648 0.00031 172 2S -0.05475 -0.01641 0.07585 0.01417 -0.00092 173 2PX 0.02478 -0.03751 0.08015 0.01340 -0.00985 174 2PY -0.03595 0.04933 -0.13377 -0.06663 0.00248 175 2PZ -0.02668 0.01739 -0.08595 -0.03977 0.00035 176 3S -0.13767 -0.00868 0.05609 -0.00197 0.00126 177 3PX -0.01707 0.00188 0.03030 0.02005 -0.00281 178 3PY 0.00627 0.02065 -0.00866 -0.03359 0.00039 179 3PZ 0.01927 0.03709 -0.03010 0.02602 0.00025 180 4XX -0.00774 0.01644 0.00130 0.00820 0.00094 181 4YY 0.02321 -0.00748 -0.00303 0.00989 -0.00058 182 4ZZ -0.00866 -0.00799 0.00072 -0.01914 -0.00039 183 4XY -0.00752 -0.00699 -0.01252 -0.01069 -0.00007 184 4XZ -0.00156 -0.00097 -0.00777 0.00087 0.00035 185 4YZ 0.00929 -0.01035 0.01359 -0.00782 -0.00048 186 22 H 1S -0.04013 0.05427 -0.00602 0.03094 0.00638 187 2S -0.01080 0.08764 -0.01567 0.06849 0.00588 188 23 H 1S -0.04564 -0.02836 -0.00970 -0.06365 -0.00188 189 2S -0.02900 -0.07362 -0.01824 -0.12019 -0.00272 151 152 153 154 155 151 4YY 0.00294 152 4ZZ -0.00023 0.00079 153 4XY 0.00030 -0.00034 0.00161 154 4XZ 0.00005 -0.00011 -0.00008 0.00045 155 4YZ -0.00015 -0.00019 -0.00006 0.00028 0.00151 156 20 O 1S 0.00035 -0.00024 0.00079 -0.00022 -0.00075 157 2S -0.00120 0.00068 -0.00193 0.00068 0.00177 158 2PX -0.00051 0.00158 0.00037 -0.00132 0.00019 159 2PY -0.00223 0.00197 0.00332 -0.00299 -0.00195 160 2PZ 0.00072 -0.00342 0.00070 0.00072 0.00060 161 3S -0.00514 0.00136 -0.00244 0.00058 0.00256 162 3PX 0.00009 0.00074 -0.00007 -0.00070 -0.00036 163 3PY -0.00014 0.00093 0.00244 -0.00179 -0.00156 164 3PZ -0.00022 -0.00230 0.00041 0.00023 0.00015 165 4XX -0.00026 -0.00004 -0.00010 -0.00005 0.00000 166 4YY 0.00085 -0.00029 -0.00011 0.00015 0.00014 167 4ZZ -0.00029 0.00025 0.00002 -0.00008 -0.00005 168 4XY 0.00011 -0.00002 -0.00029 -0.00001 0.00012 169 4XZ 0.00015 -0.00008 0.00001 0.00004 0.00002 170 4YZ -0.00014 0.00004 0.00012 -0.00002 -0.00034 171 21 C 1S -0.00711 0.00032 0.00305 0.00130 -0.00369 172 2S 0.01320 -0.00063 -0.00578 -0.00170 0.00688 173 2PX 0.01103 0.00020 0.00348 0.00298 0.00515 174 2PY -0.01048 0.00108 0.00263 0.00093 -0.00523 175 2PZ -0.01122 0.00932 0.00411 -0.00265 0.00217 176 3S 0.00986 0.00119 -0.00446 -0.00062 0.00523 177 3PX 0.00395 0.00003 0.00213 0.00170 0.00268 178 3PY -0.00111 -0.00050 0.00188 -0.00024 -0.00254 179 3PZ -0.00408 0.00221 0.00299 -0.00123 0.00262 180 4XX -0.00003 -0.00048 0.00079 -0.00011 0.00001 181 4YY -0.00031 -0.00042 -0.00053 0.00031 0.00060 182 4ZZ 0.00013 0.00081 -0.00004 -0.00027 -0.00083 183 4XY -0.00082 0.00036 -0.00052 0.00012 -0.00065 184 4XZ -0.00098 0.00037 -0.00029 -0.00004 0.00020 185 4YZ 0.00102 -0.00007 -0.00044 -0.00032 -0.00038 186 22 H 1S -0.00047 -0.00215 -0.00191 -0.00194 0.00018 187 2S -0.00281 -0.00286 0.00179 -0.00098 0.00080 188 23 H 1S 0.00010 0.00617 -0.00032 -0.00216 0.00168 189 2S -0.00145 0.00636 -0.00176 -0.00178 -0.00307 156 157 158 159 160 156 20 O 1S 2.07557 157 2S -0.17799 0.50358 158 2PX 0.01251 -0.02849 0.64786 159 2PY -0.03972 0.07464 -0.02603 0.66548 160 2PZ -0.00482 0.00384 0.13784 0.04096 0.71669 161 3S -0.24523 0.59250 -0.04938 0.21995 0.05291 162 3PX 0.00937 -0.02091 0.40595 -0.03508 0.15868 163 3PY -0.02573 0.04922 -0.03556 0.42224 0.03767 164 3PZ -0.00455 0.00468 0.14598 0.04615 0.46302 165 4XX -0.01520 -0.00285 0.01348 0.00530 0.00323 166 4YY -0.01268 -0.00833 -0.00248 -0.04104 -0.00243 167 4ZZ -0.01397 -0.00548 -0.00534 0.00589 -0.00735 168 4XY -0.00150 0.00344 -0.02795 0.00808 -0.00450 169 4XZ 0.00371 -0.00792 -0.00240 0.00090 0.00742 170 4YZ 0.00140 -0.00292 -0.00401 -0.00310 -0.02923 171 21 C 1S 0.00354 -0.00656 0.02524 0.05980 -0.02416 172 2S -0.00182 0.00256 -0.05127 -0.13137 0.04926 173 2PX -0.01529 0.03726 -0.05312 -0.13989 0.05313 174 2PY -0.02800 0.06683 -0.12297 -0.22027 0.13937 175 2PZ 0.01498 -0.03591 0.05809 0.14502 -0.05230 176 3S 0.02924 -0.07391 -0.03116 -0.09646 0.02261 177 3PX 0.00403 -0.00863 0.00240 -0.05250 0.04076 178 3PY -0.00234 0.00203 -0.04758 -0.01948 0.06249 179 3PZ -0.00333 0.00686 0.06068 0.05197 0.03555 180 4XX 0.00248 -0.00540 0.02408 -0.00103 0.00834 181 4YY -0.00616 0.01473 -0.01381 0.00400 0.01596 182 4ZZ 0.00217 -0.00419 -0.00778 -0.00102 -0.02692 183 4XY -0.00392 0.00925 0.00689 -0.01988 0.01747 184 4XZ 0.00149 -0.00367 -0.00132 0.01284 0.00137 185 4YZ 0.00457 -0.01103 0.01702 0.02150 0.00897 186 22 H 1S 0.01026 -0.02490 0.06500 0.01385 0.02896 187 2S 0.00569 -0.01481 0.11696 0.03133 0.07579 188 23 H 1S 0.00889 -0.02015 -0.02514 0.01458 -0.07388 189 2S 0.00532 -0.01017 -0.08188 0.02806 -0.15913 161 162 163 164 165 161 3S 0.75617 162 3PX -0.03227 0.26574 163 3PY 0.14003 -0.03244 0.26973 164 3PZ 0.04147 0.13777 0.03457 0.30868 165 4XX -0.00420 0.00785 0.00285 0.00301 0.00104 166 4YY -0.01835 -0.00028 -0.02559 -0.00326 -0.00033 167 4ZZ -0.00647 -0.00402 0.00371 -0.00475 0.00002 168 4XY 0.00491 -0.01726 0.00594 -0.00505 -0.00037 169 4XZ -0.00741 -0.00078 0.00087 0.00424 -0.00009 170 4YZ -0.00414 -0.00508 -0.00254 -0.01812 -0.00023 171 21 C 1S 0.02100 0.00730 0.03521 -0.00642 0.00031 172 2S -0.05476 -0.01640 -0.07591 0.01404 -0.00092 173 2PX 0.02477 -0.03747 -0.08018 0.01322 -0.00985 174 2PY 0.03598 -0.04934 -0.13407 0.06649 -0.00249 175 2PZ -0.02658 0.01726 0.08580 -0.03947 0.00035 176 3S -0.13768 -0.00867 -0.05611 -0.00205 0.00126 177 3PX -0.01708 0.00191 -0.03033 0.02001 -0.00281 178 3PY -0.00630 -0.02074 -0.00878 0.03355 -0.00040 179 3PZ 0.01926 0.03706 0.03006 0.02618 0.00025 180 4XX -0.00775 0.01644 -0.00130 0.00819 0.00094 181 4YY 0.02323 -0.00751 0.00297 0.00988 -0.00058 182 4ZZ -0.00868 -0.00796 -0.00064 -0.01913 -0.00039 183 4XY 0.00751 0.00701 -0.01256 0.01067 0.00007 184 4XZ -0.00154 -0.00096 0.00775 0.00090 0.00035 185 4YZ -0.00923 0.01035 0.01359 0.00792 0.00048 186 22 H 1S -0.04015 0.05427 0.00598 0.03098 0.00638 187 2S -0.01084 0.08766 0.01557 0.06858 0.00588 188 23 H 1S -0.04559 -0.02839 0.00980 -0.06367 -0.00188 189 2S -0.02892 -0.07367 0.01843 -0.12025 -0.00272 166 167 168 169 170 166 4YY 0.00294 167 4ZZ -0.00023 0.00079 168 4XY -0.00030 0.00034 0.00161 169 4XZ 0.00005 -0.00011 0.00008 0.00045 170 4YZ 0.00015 0.00019 -0.00006 -0.00028 0.00151 171 21 C 1S -0.00713 0.00033 -0.00305 0.00130 0.00367 172 2S 0.01323 -0.00065 0.00578 -0.00169 -0.00686 173 2PX 0.01105 0.00018 -0.00350 0.00297 -0.00513 174 2PY 0.01053 -0.00111 0.00263 -0.00092 -0.00520 175 2PZ -0.01119 0.00931 -0.00410 -0.00265 -0.00223 176 3S 0.00988 0.00117 0.00446 -0.00061 -0.00522 177 3PX 0.00396 0.00002 -0.00214 0.00170 -0.00267 178 3PY 0.00112 0.00048 0.00188 0.00025 -0.00254 179 3PZ -0.00407 0.00220 -0.00298 -0.00123 -0.00264 180 4XX -0.00003 -0.00048 -0.00079 -0.00011 -0.00001 181 4YY -0.00031 -0.00043 0.00054 0.00031 -0.00059 182 4ZZ 0.00013 0.00081 0.00004 -0.00027 0.00083 183 4XY 0.00082 -0.00037 -0.00053 -0.00012 -0.00065 184 4XZ -0.00098 0.00037 0.00029 -0.00004 -0.00020 185 4YZ -0.00102 0.00007 -0.00044 0.00032 -0.00038 186 22 H 1S -0.00046 -0.00214 0.00192 -0.00194 -0.00018 187 2S -0.00280 -0.00286 -0.00179 -0.00098 -0.00080 188 23 H 1S 0.00010 0.00616 0.00033 -0.00215 -0.00169 189 2S -0.00146 0.00636 0.00177 -0.00178 0.00306 171 172 173 174 175 171 21 C 1S 2.04980 172 2S -0.06512 0.34291 173 2PX 0.01455 -0.02588 0.42800 174 2PY 0.00001 -0.00001 0.00000 0.29269 175 2PZ -0.01513 0.02463 0.04321 -0.00015 0.42493 176 3S -0.14988 0.26011 -0.04460 -0.00005 0.05590 177 3PX 0.00857 -0.01869 0.15537 0.00000 0.01403 178 3PY 0.00002 -0.00003 0.00001 0.07095 -0.00008 179 3PZ -0.01235 0.02303 0.00828 -0.00007 0.14522 180 4XX -0.01781 0.00026 -0.02405 0.00000 -0.00913 181 4YY -0.01312 -0.01025 0.01563 0.00006 -0.01615 182 4ZZ -0.01764 -0.00043 0.01019 -0.00006 0.02328 183 4XY 0.00000 0.00000 0.00000 0.02089 0.00001 184 4XZ -0.00060 0.00098 -0.01143 0.00001 0.01231 185 4YZ 0.00001 -0.00001 0.00000 -0.02049 -0.00006 186 22 H 1S -0.05970 0.12410 -0.27095 0.00002 -0.06531 187 2S -0.01231 0.03558 -0.21703 0.00004 -0.07298 188 23 H 1S -0.05992 0.12294 0.07204 -0.00026 0.26778 189 2S -0.01152 0.03387 0.08269 -0.00022 0.21792 176 177 178 179 180 176 3S 0.23348 177 3PX -0.01607 0.06205 178 3PY -0.00003 0.00001 0.02606 179 3PZ 0.02152 0.00376 -0.00004 0.06494 180 4XX 0.00239 -0.00680 0.00000 0.00047 0.00335 181 4YY -0.01289 0.00513 0.00001 -0.00463 -0.00124 182 4ZZ 0.00320 0.00204 -0.00001 0.00358 -0.00166 183 4XY 0.00000 0.00000 0.00389 0.00000 0.00000 184 4XZ 0.00369 -0.00378 0.00000 0.00399 0.00011 185 4YZ -0.00002 0.00000 -0.00288 -0.00001 0.00000 186 22 H 1S 0.10661 -0.09598 -0.00002 -0.00320 0.02033 187 2S 0.03009 -0.06959 -0.00001 0.00207 0.02111 188 23 H 1S 0.11638 0.01750 -0.00009 0.08285 -0.01122 189 2S 0.04306 0.01690 -0.00005 0.04492 -0.01622 181 182 183 184 185 181 4YY 0.00343 182 4ZZ -0.00138 0.00350 183 4XY 0.00000 0.00000 0.00248 184 4XZ -0.00051 0.00014 0.00000 0.00106 185 4YZ 0.00000 0.00000 -0.00102 0.00000 0.00274 186 22 H 1S -0.01191 -0.01176 0.00000 0.00525 0.00000 187 2S -0.00689 -0.01530 0.00001 0.00339 0.00001 188 23 H 1S -0.01262 0.02042 -0.00001 0.00573 -0.00004 189 2S -0.00902 0.02416 -0.00001 0.00382 -0.00004 186 187 188 189 186 22 H 1S 0.22350 187 2S 0.17401 0.16577 188 23 H 1S -0.04299 -0.08220 0.22401 189 2S -0.08901 -0.12034 0.18437 0.19872 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05498 2 2S -0.01344 0.32634 3 2PX 0.00000 0.00000 0.35439 4 2PY 0.00000 0.00000 0.00000 0.41152 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38402 6 3S -0.03644 0.23607 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11192 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09696 10 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 11 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 12 4ZZ -0.00111 -0.00518 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S -0.00196 0.03098 0.00105 0.09691 0.00071 17 2S -0.00121 0.01238 0.00024 0.06456 0.00050 18 3 C 1S 0.00000 -0.00054 -0.00131 -0.00068 -0.00092 19 2S -0.00058 0.01134 0.02019 0.00940 0.01358 20 2PX -0.00143 0.02090 -0.00060 0.01830 0.03412 21 2PY -0.00063 0.00939 0.01795 -0.00035 0.00936 22 2PZ -0.00090 0.01263 0.03909 0.00748 0.00059 23 3S 0.00070 0.00575 0.00747 0.01241 0.00721 24 3PX -0.00061 0.01222 0.00369 0.00806 0.01434 25 3PY -0.00036 0.00250 0.01212 0.00130 0.00370 26 3PZ 0.00034 0.00197 0.01591 0.00065 0.00349 27 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 28 4YY 0.00001 -0.00046 -0.00033 -0.00027 -0.00033 29 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 30 4XY -0.00009 0.00084 0.00020 -0.00002 0.00121 31 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 32 4YZ -0.00007 0.00069 0.00124 -0.00001 0.00005 33 4 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 34 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00551 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 -0.00009 -0.00011 -0.00024 -0.00005 37 2PX 0.00000 -0.00001 0.00001 -0.00002 -0.00006 38 2PY 0.00000 -0.00030 -0.00025 -0.00053 -0.00010 39 2PZ 0.00000 -0.00005 -0.00008 -0.00005 0.00000 40 3S -0.00002 -0.00118 0.00136 -0.00557 0.00025 41 3PX -0.00006 0.00040 -0.00042 -0.00005 -0.00025 42 3PY 0.00010 -0.00274 0.00143 -0.00580 -0.00045 43 3PZ -0.00004 -0.00007 0.00025 0.00007 -0.00044 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00002 0.00001 0.00006 0.00002 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00002 0.00000 0.00006 0.00004 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00001 0.00005 0.00002 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00013 0.00023 0.00019 0.00011 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 54 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 55 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 57 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 58 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 59 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 60 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00002 0.00000 0.00006 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 71 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 72 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 73 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 74 3S 0.00000 -0.00058 -0.00039 -0.00335 0.00006 75 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 76 3PY 0.00009 -0.00203 -0.00020 -0.00449 -0.00131 77 3PZ 0.00000 -0.00047 -0.00018 -0.00024 -0.00028 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00006 0.00001 0.00010 0.00023 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00009 0.00011 0.00014 0.00006 88 12 C 1S 0.00000 -0.00019 -0.00012 -0.00023 -0.00095 89 2S -0.00020 0.00510 0.00226 0.00422 0.01885 90 2PX -0.00009 0.00177 0.00002 0.00094 0.00651 91 2PY -0.00019 0.00370 0.00070 -0.00062 0.01253 92 2PZ -0.00117 0.02399 0.00793 0.01385 0.04488 93 3S 0.00013 0.00692 0.00566 0.00979 0.01745 94 3PX -0.00008 0.00180 -0.00001 0.00068 0.00366 95 3PY -0.00024 0.00224 0.00058 0.00036 0.00757 96 3PZ -0.00127 0.01982 0.00426 0.00818 0.01551 97 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 98 4YY 0.00000 -0.00018 -0.00003 -0.00005 -0.00029 99 4ZZ -0.00007 0.00166 0.00058 0.00107 0.00023 100 4XY 0.00000 0.00007 0.00004 0.00001 0.00021 101 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 102 4YZ -0.00005 0.00082 0.00023 0.00006 0.00129 103 13 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 104 2S 0.00020 -0.00287 -0.00585 -0.00011 -0.00246 105 14 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 106 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 109 2PX 0.00000 0.00003 0.00203 0.00028 0.00071 110 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 111 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 112 3S 0.00016 -0.00064 0.00234 0.00089 -0.00066 113 3PX 0.00003 -0.00040 0.00812 0.00149 0.00511 114 3PY 0.00000 -0.00033 0.00105 0.00025 0.00060 115 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 116 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 117 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 119 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 120 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 121 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 122 16 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 123 2S 0.00003 -0.00064 -0.00107 0.00000 -0.00122 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 130 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 131 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 132 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00002 0.00003 0.00003 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 147 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 148 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 149 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 6 7 8 9 10 6 3S 0.30042 7 3PX 0.00000 0.12493 8 3PY 0.00000 0.00000 0.05320 9 3PZ 0.00000 0.00000 0.00000 0.09658 10 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 11 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 12 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S 0.04240 0.00025 0.04296 0.00018 -0.00103 17 2S 0.02341 -0.00063 0.04178 -0.00010 -0.00176 18 3 C 1S -0.00055 -0.00101 -0.00059 -0.00032 -0.00004 19 2S 0.01144 0.01275 0.00678 0.00386 0.00057 20 2PX 0.02142 0.00244 0.00704 0.01526 -0.00099 21 2PY 0.00593 0.00818 -0.00074 0.00377 0.00080 22 2PZ 0.01307 0.02057 0.00274 0.00259 0.00132 23 3S -0.01469 -0.00314 0.00543 0.00232 0.00122 24 3PX 0.01145 0.01827 0.00361 0.01265 -0.00161 25 3PY 0.00032 0.01059 0.00089 -0.00004 0.00080 26 3PZ 0.00072 0.01513 -0.00047 0.01140 0.00174 27 4XX 0.00112 -0.00122 0.00038 0.00142 -0.00002 28 4YY -0.00075 0.00008 -0.00056 -0.00054 -0.00003 29 4ZZ -0.00045 0.00087 -0.00013 -0.00080 0.00002 30 4XY 0.00046 0.00000 0.00001 0.00025 0.00000 31 4XZ 0.00026 -0.00001 0.00009 0.00002 0.00000 32 4YZ 0.00036 0.00030 0.00001 0.00004 -0.00007 33 4 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 34 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 35 5 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 36 2S -0.00122 -0.00089 -0.00155 -0.00048 0.00000 37 2PX -0.00102 -0.00004 -0.00011 -0.00103 -0.00001 38 2PY -0.00148 -0.00124 0.00064 -0.00151 -0.00001 39 2PZ -0.00108 -0.00095 -0.00066 -0.00021 0.00001 40 3S -0.00157 0.00466 -0.00670 -0.00143 -0.00002 41 3PX -0.00090 -0.00294 0.00026 -0.00241 -0.00013 42 3PY -0.00347 0.00395 -0.00165 -0.00328 -0.00004 43 3PZ -0.00043 -0.00052 -0.00011 -0.00242 0.00017 44 4XX 0.00000 0.00010 0.00004 -0.00007 0.00000 45 4YY 0.00009 -0.00006 0.00012 0.00006 0.00000 46 4ZZ 0.00005 -0.00002 0.00000 0.00005 0.00000 47 4XY 0.00014 0.00001 0.00014 0.00012 0.00000 48 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 49 4YZ 0.00009 0.00018 0.00006 0.00002 0.00000 50 6 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 51 2S 0.00169 0.00167 0.00108 0.00063 0.00000 52 7 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 53 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 54 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 55 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 57 3S -0.00468 0.00000 -0.00139 0.00000 0.00001 58 3PX 0.00000 -0.00749 0.00000 0.00000 0.00000 59 3PY -0.00137 0.00000 0.00481 0.00000 -0.00001 60 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 61 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 62 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 63 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 64 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 67 8 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 68 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 69 9 C 1S 0.00002 0.00001 0.00005 0.00002 0.00000 70 2S -0.00040 -0.00010 -0.00095 -0.00046 0.00000 71 2PX -0.00011 -0.00004 0.00000 0.00005 0.00000 72 2PY -0.00123 -0.00020 -0.00107 -0.00158 0.00000 73 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 74 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 75 3PX -0.00034 0.00051 -0.00015 0.00022 0.00000 76 3PY -0.00425 -0.00084 -0.00384 -0.00215 -0.00003 77 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 78 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 79 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 80 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 81 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 82 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 83 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 84 10 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 85 2S 0.00004 0.00006 -0.00015 0.00192 0.00001 86 11 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 87 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 88 12 C 1S -0.00008 -0.00013 -0.00030 -0.00056 0.00000 89 2S 0.00439 0.00144 0.00326 0.01094 -0.00025 90 2PX 0.00233 0.00001 0.00013 0.00152 0.00003 91 2PY 0.00316 0.00032 -0.00169 0.00721 -0.00003 92 2PZ 0.02221 0.00380 0.00266 0.01201 -0.00056 93 3S 0.00013 0.00759 0.00648 -0.00034 -0.00076 94 3PX 0.00181 -0.00075 -0.00003 0.00123 -0.00020 95 3PY 0.00224 0.00009 -0.00188 0.00560 -0.00013 96 3PZ 0.01209 0.00264 0.00064 0.00191 -0.00046 97 4XX -0.00096 -0.00026 0.00001 0.00004 0.00002 98 4YY -0.00038 -0.00014 -0.00033 -0.00006 0.00000 99 4ZZ 0.00238 0.00065 0.00047 -0.00049 -0.00005 100 4XY 0.00004 0.00005 0.00002 0.00003 0.00000 101 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 102 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 103 13 H 1S -0.00230 -0.00206 0.00009 0.00033 0.00003 104 2S -0.01152 -0.01244 -0.00013 0.00543 0.00057 105 14 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 106 2S -0.00380 -0.00091 0.00030 -0.01807 -0.00008 107 15 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 108 2S 0.00013 -0.00038 0.00038 0.00063 0.00003 109 2PX 0.00060 0.00776 0.00085 0.00474 0.00009 110 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 111 2PZ 0.00128 0.00548 0.00059 0.00007 0.00004 112 3S 0.00125 0.00245 0.00171 0.00106 0.00037 113 3PX 0.00339 0.01264 0.00220 0.01180 0.00046 114 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 115 3PZ 0.00206 0.01155 0.00087 -0.00216 0.00026 116 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 117 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 118 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 119 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 120 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 122 16 H 1S -0.00059 -0.00157 -0.00001 -0.00084 0.00000 123 2S -0.00381 -0.00489 -0.00003 -0.00394 0.00006 124 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 125 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 126 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 127 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 128 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 129 3S -0.00008 -0.00064 -0.00001 0.00038 0.00004 130 3PX 0.00010 -0.00161 0.00158 -0.00078 0.00010 131 3PY -0.00080 0.00021 -0.00060 -0.00008 -0.00008 132 3PZ 0.00042 -0.00176 0.00093 -0.00006 0.00007 133 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 134 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 135 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 136 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 137 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 138 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 139 18 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 140 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 141 19 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 142 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 143 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 144 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 145 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 146 3S 0.00003 0.00079 0.00005 -0.00007 -0.00001 147 3PX -0.00339 -0.00510 -0.00042 -0.00053 0.00003 148 3PY -0.00013 0.00011 0.00011 -0.00002 0.00000 149 3PZ -0.00044 -0.00047 -0.00005 0.00118 0.00000 150 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 151 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 152 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 158 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 162 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 163 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 164 3PZ 0.00000 0.00000 -0.00002 0.00002 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 174 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 177 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 178 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 179 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 180 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 188 23 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 189 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 11 12 13 14 15 11 4YY 0.00186 12 4ZZ -0.00024 0.00145 13 4XY 0.00000 0.00000 0.00042 14 4XZ 0.00000 0.00000 0.00000 0.00069 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 16 2 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 17 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 18 3 C 1S 0.00002 0.00000 -0.00008 -0.00011 -0.00006 19 2S -0.00045 -0.00019 0.00083 0.00116 0.00066 20 2PX -0.00023 0.00033 0.00030 0.00033 0.00117 21 2PY -0.00025 0.00013 -0.00003 0.00096 -0.00002 22 2PZ -0.00019 -0.00071 0.00117 0.00003 0.00009 23 3S -0.00157 0.00062 0.00021 0.00039 0.00021 24 3PX -0.00022 0.00152 0.00001 -0.00002 0.00018 25 3PY -0.00043 -0.00031 0.00000 0.00016 -0.00002 26 3PZ -0.00022 -0.00113 0.00013 0.00002 0.00003 27 4XX -0.00004 0.00005 -0.00003 -0.00001 0.00000 28 4YY 0.00004 -0.00005 0.00000 -0.00005 0.00000 29 4ZZ -0.00006 0.00002 -0.00005 0.00001 -0.00002 30 4XY 0.00000 -0.00010 0.00001 -0.00001 0.00000 31 4XZ -0.00010 0.00001 0.00000 0.00003 0.00000 32 4YZ 0.00000 -0.00002 0.00001 0.00000 0.00000 33 4 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 34 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00003 0.00000 0.00001 0.00000 0.00001 37 2PX 0.00001 0.00001 0.00000 0.00000 0.00001 38 2PY 0.00014 -0.00001 0.00006 -0.00001 0.00004 39 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 40 3S 0.00046 -0.00017 0.00008 -0.00002 0.00005 41 3PX 0.00005 0.00010 0.00000 -0.00001 0.00005 42 3PY 0.00070 -0.00027 0.00010 -0.00001 0.00006 43 3PZ -0.00004 -0.00007 0.00004 0.00001 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S -0.00002 0.00000 0.00000 0.00000 0.00000 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 55 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 3S 0.00002 0.00001 0.00000 0.00000 0.00000 58 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 59 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 60 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00001 0.00000 0.00000 0.00000 0.00001 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 75 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 76 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 77 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00001 0.00001 0.00000 0.00000 0.00000 88 12 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 89 2S -0.00028 0.00173 0.00008 0.00027 0.00071 90 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 91 2PY -0.00005 0.00112 0.00000 0.00016 0.00007 92 2PZ -0.00047 -0.00015 0.00023 0.00037 0.00126 93 3S -0.00148 0.00324 0.00007 0.00015 0.00037 94 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 95 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 96 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 97 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 98 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 99 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 100 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 101 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 102 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 104 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 105 14 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 106 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00002 0.00000 109 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 112 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 113 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 114 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 115 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00002 0.00003 0.00000 0.00002 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 130 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 131 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 132 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21713 17 2S 0.11577 0.16496 18 3 C 1S 0.00000 0.00019 2.05271 19 2S -0.00019 -0.00267 -0.01361 0.32497 20 2PX -0.00019 -0.00255 0.00000 0.00000 0.36894 21 2PY -0.00048 -0.00652 0.00000 0.00000 0.00000 22 2PZ -0.00007 -0.00039 0.00000 0.00000 0.00000 23 3S -0.00450 -0.01535 -0.02960 0.20114 0.00000 24 3PX -0.00158 -0.00581 0.00000 0.00000 0.10335 25 3PY -0.00036 -0.00204 0.00000 0.00000 0.00000 26 3PZ -0.00043 -0.00017 0.00000 0.00000 0.00000 27 4XX -0.00001 -0.00025 -0.00113 -0.00673 0.00000 28 4YY 0.00009 0.00097 -0.00134 -0.00219 0.00000 29 4ZZ -0.00001 -0.00025 -0.00128 -0.00379 0.00000 30 4XY 0.00004 0.00009 0.00000 0.00000 0.00000 31 4XZ -0.00001 -0.00008 0.00000 0.00000 0.00000 32 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00105 -0.00198 0.03084 0.02438 34 2S -0.00104 -0.00590 -0.00120 0.01190 0.01603 35 5 C 1S 0.00000 0.00000 0.00000 -0.00047 0.00000 36 2S 0.00000 0.00013 -0.00047 0.00970 0.00000 37 2PX 0.00000 0.00003 0.00000 0.00000 0.01116 38 2PY 0.00000 0.00051 -0.00258 0.04008 0.00000 39 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 40 3S 0.00015 0.00219 -0.00027 0.01148 0.00000 41 3PX 0.00000 0.00017 0.00000 0.00000 0.01911 42 3PY 0.00033 0.00392 -0.00172 0.02370 0.00000 43 3PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 44 4XX 0.00000 0.00000 0.00000 -0.00042 0.00000 45 4YY 0.00000 -0.00001 -0.00026 0.00362 0.00000 46 4ZZ 0.00000 -0.00001 0.00000 -0.00047 0.00000 47 4XY 0.00000 -0.00001 0.00000 0.00000 0.00201 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 -0.00017 -0.00007 51 2S 0.00000 -0.00014 0.00019 -0.00265 -0.00091 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00002 0.00000 -0.00009 -0.00001 54 2PX 0.00000 0.00000 0.00000 -0.00011 0.00001 55 2PY 0.00000 0.00006 0.00000 -0.00024 -0.00002 56 2PZ 0.00000 0.00000 0.00000 -0.00005 -0.00006 57 3S 0.00000 0.00020 0.00004 -0.00122 -0.00102 58 3PX 0.00000 0.00003 0.00004 -0.00090 -0.00004 59 3PY -0.00003 -0.00016 0.00006 -0.00155 -0.00010 60 3PZ 0.00000 0.00001 0.00003 -0.00048 -0.00104 61 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 62 4YY 0.00000 0.00000 0.00000 0.00003 0.00001 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 64 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00001 0.00001 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00013 0.00003 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00006 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00029 0.00000 0.00000 -0.00002 73 2PZ 0.00000 0.00004 0.00000 -0.00001 0.00001 74 3S 0.00007 0.00130 0.00002 -0.00039 -0.00025 75 3PX 0.00000 0.00003 0.00000 -0.00005 0.00000 76 3PY 0.00023 0.00301 0.00001 -0.00022 -0.00053 77 3PZ 0.00000 0.00018 0.00002 -0.00032 0.00017 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00011 0.00000 0.00001 -0.00002 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00015 0.00000 0.00000 0.00001 88 12 C 1S 0.00000 0.00016 0.00000 0.00000 0.00000 89 2S -0.00013 -0.00247 0.00000 -0.00004 -0.00005 90 2PX -0.00001 -0.00020 0.00000 -0.00007 0.00000 91 2PY -0.00028 -0.00445 0.00000 0.00000 0.00000 92 2PZ -0.00025 -0.00432 0.00000 -0.00017 -0.00032 93 3S -0.00400 -0.01622 0.00004 -0.00076 0.00005 94 3PX -0.00014 -0.00051 0.00004 -0.00065 0.00002 95 3PY -0.00097 -0.00526 0.00000 0.00004 0.00002 96 3PZ -0.00282 -0.00974 0.00012 -0.00217 -0.00313 97 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 98 4YY 0.00004 0.00065 0.00000 0.00000 0.00000 99 4ZZ -0.00001 -0.00038 0.00000 0.00000 0.00004 100 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 101 4XZ 0.00000 -0.00001 0.00000 0.00001 -0.00001 102 4YZ 0.00004 0.00010 0.00000 0.00000 0.00000 103 13 H 1S -0.00001 -0.00027 0.00000 0.00000 0.00000 104 2S -0.00039 -0.00001 0.00000 0.00015 -0.00001 105 14 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 106 2S -0.00017 -0.00034 0.00000 -0.00006 0.00013 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00009 0.00000 0.00000 -0.00002 109 2PX -0.00001 -0.00061 0.00000 -0.00002 -0.00008 110 2PY -0.00001 -0.00044 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00017 0.00000 0.00000 0.00000 112 3S -0.00055 -0.00322 0.00001 -0.00021 -0.00140 113 3PX -0.00060 -0.00284 0.00004 -0.00065 -0.00045 114 3PY 0.00020 0.00071 0.00000 0.00000 -0.00001 115 3PZ -0.00018 -0.00110 0.00000 -0.00006 -0.00019 116 4XX 0.00000 -0.00002 0.00000 0.00000 0.00001 117 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 -0.00011 0.00000 0.00000 -0.00001 123 2S -0.00011 -0.00015 0.00000 -0.00003 -0.00048 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00001 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00001 0.00000 0.00000 -0.00003 127 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00001 0.00040 0.00000 -0.00005 -0.00055 130 3PX -0.00001 0.00008 0.00000 -0.00017 -0.00188 131 3PY 0.00003 0.00045 0.00000 -0.00002 0.00051 132 3PZ 0.00000 0.00007 0.00000 0.00000 -0.00014 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00003 0.00000 0.00000 0.00011 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00002 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00026 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00011 0.00000 0.00000 0.00001 148 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 150 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 177 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 178 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.41338 22 2PZ 0.00000 0.39021 23 3S 0.00000 0.00000 0.25001 24 3PX 0.00000 0.00000 0.00000 0.11994 25 3PY 0.07886 0.00000 0.00000 0.00000 0.06235 26 3PZ 0.00000 0.09563 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00354 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00197 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00154 0.00000 0.00000 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.02398 0.04953 0.04347 0.00829 0.00998 34 2S 0.01551 0.03428 0.03824 0.00518 0.00737 35 5 C 1S -0.00258 0.00000 -0.00027 0.00000 -0.00172 36 2S 0.04008 0.00000 0.01147 0.00000 0.02368 37 2PX 0.00000 0.00000 0.00000 0.01910 0.00000 38 2PY 0.09681 0.00000 0.03099 0.00000 0.01764 39 2PZ 0.00000 0.00839 -0.00001 0.00000 0.00000 40 3S 0.03097 0.00001 -0.00963 0.00000 0.00843 41 3PX 0.00000 0.00000 0.00000 0.02602 0.00001 42 3PY 0.01764 0.00000 0.00846 -0.00001 0.00146 43 3PZ 0.00001 0.01654 -0.00001 0.00000 0.00000 44 4XX -0.00106 0.00000 -0.00148 0.00000 -0.00162 45 4YY 0.00223 0.00000 0.00401 0.00000 0.00113 46 4ZZ -0.00112 0.00000 -0.00135 0.00000 -0.00110 47 4XY 0.00000 0.00000 0.00000 0.00097 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00210 0.00000 0.00000 0.00000 50 6 H 1S -0.00057 -0.00007 -0.00417 0.00012 -0.00334 51 2S -0.00840 -0.00152 -0.01700 0.00059 -0.01421 52 7 C 1S 0.00000 0.00000 -0.00002 -0.00006 0.00010 53 2S -0.00030 -0.00005 -0.00118 0.00040 -0.00274 54 2PX -0.00025 -0.00008 0.00136 -0.00041 0.00142 55 2PY -0.00052 -0.00005 -0.00557 -0.00006 -0.00578 56 2PZ -0.00010 0.00000 0.00025 -0.00025 -0.00046 57 3S -0.00147 -0.00108 -0.00157 -0.00090 -0.00347 58 3PX -0.00125 -0.00095 0.00466 -0.00291 0.00393 59 3PY 0.00064 -0.00066 -0.00669 0.00028 -0.00163 60 3PZ -0.00151 -0.00021 -0.00143 -0.00242 -0.00328 61 4XX -0.00001 0.00001 -0.00002 -0.00013 -0.00004 62 4YY 0.00014 0.00000 0.00046 0.00005 0.00070 63 4ZZ -0.00001 0.00000 -0.00017 0.00010 -0.00027 64 4XY 0.00006 0.00001 0.00008 0.00000 0.00010 65 4XZ -0.00001 0.00000 -0.00002 -0.00001 -0.00001 66 4YZ 0.00004 0.00000 0.00005 0.00005 0.00006 67 8 H 1S 0.00000 0.00000 0.00015 0.00000 0.00033 68 2S 0.00051 0.00001 0.00219 0.00018 0.00392 69 9 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 70 2S 0.00000 -0.00001 -0.00036 0.00006 -0.00018 71 2PX 0.00000 -0.00001 -0.00014 0.00004 -0.00033 72 2PY 0.00001 0.00000 -0.00023 -0.00038 0.00008 73 2PZ -0.00002 -0.00002 -0.00137 -0.00006 -0.00076 74 3S -0.00036 -0.00017 -0.00468 -0.00148 -0.00259 75 3PX -0.00003 -0.00005 -0.00064 0.00000 -0.00082 76 3PY 0.00010 0.00006 -0.00149 -0.00157 0.00001 77 3PZ -0.00075 -0.00016 -0.00523 -0.00028 -0.00249 78 4XX 0.00000 0.00000 0.00004 0.00001 0.00003 79 4YY 0.00000 0.00000 0.00001 0.00001 0.00003 80 4ZZ 0.00000 0.00000 -0.00005 -0.00002 -0.00009 81 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 82 4XZ 0.00000 0.00000 0.00000 0.00001 0.00001 83 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 84 10 H 1S 0.00000 0.00000 0.00004 0.00000 -0.00002 85 2S -0.00001 0.00010 0.00052 -0.00015 -0.00030 86 11 H 1S 0.00000 0.00000 0.00001 0.00001 0.00002 87 2S 0.00001 -0.00001 0.00036 0.00036 0.00040 88 12 C 1S 0.00000 0.00000 0.00002 0.00001 0.00000 89 2S 0.00000 -0.00015 -0.00042 0.00002 -0.00004 90 2PX 0.00000 -0.00022 -0.00082 0.00015 -0.00008 91 2PY 0.00000 0.00000 -0.00002 -0.00002 0.00019 92 2PZ 0.00000 -0.00022 -0.00010 -0.00079 -0.00014 93 3S 0.00002 -0.00378 0.00248 0.00383 -0.00019 94 3PX -0.00002 -0.00115 -0.00096 0.00004 -0.00014 95 3PY 0.00013 0.00009 0.00010 -0.00003 0.00105 96 3PZ 0.00004 -0.00217 0.00150 -0.00198 -0.00017 97 4XX 0.00000 0.00002 0.00006 -0.00008 0.00001 98 4YY 0.00000 0.00000 -0.00007 -0.00007 0.00000 99 4ZZ 0.00000 -0.00001 0.00005 0.00033 -0.00001 100 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 101 4XZ 0.00000 0.00008 0.00006 -0.00006 0.00001 102 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 103 13 H 1S 0.00000 0.00000 0.00005 -0.00005 0.00005 104 2S 0.00002 0.00041 0.00079 -0.00100 0.00048 105 14 H 1S 0.00000 -0.00001 -0.00011 0.00013 -0.00002 106 2S 0.00000 -0.00054 -0.00080 0.00059 -0.00011 107 15 C 1S 0.00000 0.00000 0.00001 0.00006 0.00000 108 2S 0.00000 0.00000 -0.00029 -0.00143 0.00000 109 2PX 0.00000 0.00000 0.00030 -0.00168 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 111 2PZ 0.00000 0.00000 -0.00001 -0.00008 0.00000 112 3S 0.00000 -0.00006 -0.00021 -0.00783 0.00001 113 3PX 0.00000 0.00001 0.00036 -0.00255 0.00001 114 3PY -0.00001 0.00000 0.00000 -0.00002 -0.00005 115 3PZ 0.00000 -0.00011 0.00007 -0.00044 0.00000 116 4XX 0.00000 0.00000 -0.00004 0.00027 0.00000 117 4YY 0.00000 0.00000 0.00001 -0.00003 0.00000 118 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 120 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 -0.00008 -0.00081 0.00003 123 2S 0.00002 -0.00005 -0.00017 -0.00194 0.00021 124 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 125 2S 0.00000 0.00000 0.00003 -0.00038 -0.00004 126 2PX 0.00000 0.00000 -0.00037 -0.00238 -0.00037 127 2PY 0.00000 0.00000 0.00001 0.00019 -0.00001 128 2PZ 0.00000 0.00000 -0.00002 -0.00018 -0.00002 129 3S -0.00007 -0.00003 -0.00076 -0.00414 -0.00081 130 3PX -0.00021 -0.00012 -0.00190 -0.00955 -0.00164 131 3PY 0.00001 0.00004 -0.00002 0.00281 0.00000 132 3PZ -0.00002 0.00020 -0.00020 -0.00095 -0.00013 133 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 134 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 135 4ZZ 0.00000 0.00000 0.00001 0.00003 0.00000 136 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 137 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00002 0.00006 0.00002 140 2S 0.00000 0.00003 0.00017 0.00120 0.00023 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00024 0.00001 147 3PX 0.00000 0.00000 0.00008 0.00030 0.00004 148 3PY 0.00000 0.00000 -0.00002 -0.00003 0.00001 149 3PZ 0.00000 0.00000 -0.00003 -0.00005 0.00000 150 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00002 0.00006 0.00001 162 3PX 0.00000 0.00000 0.00004 0.00032 0.00005 163 3PY 0.00000 0.00000 0.00001 0.00002 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 -0.00004 0.00000 177 3PX 0.00000 0.00000 0.00000 -0.00003 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 -0.00005 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00001 -0.00005 0.00000 26 27 28 29 30 26 3PZ 0.09323 27 4XX 0.00000 0.00092 28 4YY 0.00000 -0.00008 0.00114 29 4ZZ 0.00000 0.00007 -0.00007 0.00089 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00095 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.02194 -0.00039 -0.00082 0.00160 0.00113 34 2S 0.02136 0.00026 -0.00135 0.00255 0.00027 35 5 C 1S 0.00000 0.00000 -0.00026 0.00000 0.00000 36 2S 0.00000 -0.00042 0.00361 -0.00047 0.00000 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00201 38 2PY -0.00001 -0.00106 0.00223 -0.00112 0.00000 39 2PZ 0.01656 0.00000 0.00000 0.00000 0.00000 40 3S 0.00001 -0.00148 0.00401 -0.00135 0.00000 41 3PX 0.00000 0.00000 0.00000 0.00000 0.00097 42 3PY 0.00000 -0.00163 0.00113 -0.00110 0.00000 43 3PZ 0.02466 0.00000 0.00000 0.00000 0.00000 44 4XX 0.00000 0.00001 -0.00004 0.00001 0.00000 45 4YY 0.00000 -0.00004 -0.00008 -0.00004 0.00000 46 4ZZ 0.00000 0.00001 -0.00004 0.00002 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 -0.00012 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00084 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00019 0.00000 0.00002 0.00000 0.00003 51 2S -0.00032 0.00011 -0.00017 0.00014 0.00012 52 7 C 1S -0.00004 0.00000 0.00000 0.00000 0.00000 53 2S -0.00007 0.00000 0.00002 0.00000 0.00002 54 2PX 0.00025 0.00000 0.00001 0.00000 0.00000 55 2PY 0.00006 0.00000 0.00006 0.00000 0.00006 56 2PZ -0.00044 0.00000 0.00002 0.00000 0.00004 57 3S -0.00043 0.00000 0.00009 0.00005 0.00014 58 3PX -0.00051 0.00010 -0.00006 -0.00002 0.00001 59 3PY -0.00011 0.00004 0.00012 0.00000 0.00014 60 3PZ -0.00241 -0.00007 0.00006 0.00005 0.00012 61 4XX 0.00017 0.00000 0.00000 0.00000 0.00000 62 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 63 4ZZ -0.00007 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00004 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00004 0.00000 -0.00001 -0.00001 -0.00001 69 9 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 70 2S -0.00043 0.00000 0.00000 0.00000 0.00000 71 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00010 0.00000 0.00000 0.00000 0.00000 73 2PZ -0.00117 0.00000 0.00000 0.00000 0.00000 74 3S -0.00056 -0.00002 0.00003 0.00003 0.00000 75 3PX 0.00000 -0.00001 0.00000 0.00001 0.00000 76 3PY 0.00079 -0.00003 0.00004 -0.00002 0.00000 77 3PZ -0.00211 0.00001 -0.00002 0.00003 -0.00003 78 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 79 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 81 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 82 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00010 0.00000 0.00000 0.00000 0.00000 85 2S 0.00142 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00009 0.00000 0.00000 0.00000 0.00000 88 12 C 1S 0.00012 0.00000 0.00000 0.00000 0.00000 89 2S -0.00177 0.00000 0.00000 0.00001 0.00000 90 2PX -0.00219 0.00000 0.00000 0.00002 0.00000 91 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00070 0.00001 0.00000 0.00006 0.00000 93 3S -0.00949 0.00010 -0.00012 0.00019 0.00000 94 3PX -0.00300 0.00000 -0.00003 0.00015 0.00000 95 3PY 0.00014 0.00000 0.00000 -0.00001 -0.00003 96 3PZ 0.00127 0.00004 -0.00015 0.00050 -0.00001 97 4XX 0.00026 0.00000 0.00000 0.00000 0.00000 98 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 99 4ZZ -0.00022 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00029 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00015 0.00000 0.00000 0.00000 0.00000 104 2S 0.00247 -0.00001 0.00000 -0.00001 0.00000 105 14 H 1S -0.00096 0.00000 0.00000 0.00000 0.00000 106 2S -0.00405 0.00002 0.00000 -0.00004 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00004 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00016 0.00001 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 112 3S -0.00039 0.00005 -0.00002 0.00000 0.00000 113 3PX -0.00020 0.00034 -0.00007 -0.00008 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 115 3PZ 0.00051 0.00003 0.00000 0.00000 0.00000 116 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00026 0.00000 0.00000 0.00000 0.00000 123 2S -0.00063 -0.00004 0.00000 0.00002 -0.00001 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S -0.00003 0.00000 0.00000 0.00000 0.00000 126 2PX -0.00012 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00015 0.00000 0.00000 0.00000 0.00000 129 3S -0.00022 0.00000 0.00000 0.00000 -0.00001 130 3PX -0.00060 0.00000 -0.00001 0.00000 0.00001 131 3PY 0.00017 0.00000 0.00001 0.00000 0.00000 132 3PZ 0.00122 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00027 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00002 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00002 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 164 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 4XZ 0.00067 32 4YZ 0.00000 0.00117 33 4 H 1S 0.00172 0.00226 0.21693 34 2S 0.00030 0.00052 0.11783 0.17165 35 5 C 1S 0.00000 0.00000 0.00000 0.00019 2.05271 36 2S 0.00000 0.00000 -0.00017 -0.00265 -0.01361 37 2PX 0.00000 0.00000 -0.00007 -0.00091 0.00000 38 2PY 0.00000 0.00000 -0.00057 -0.00839 0.00000 39 2PZ 0.00000 0.00210 -0.00007 -0.00153 0.00000 40 3S 0.00000 0.00000 -0.00417 -0.01699 -0.02961 41 3PX 0.00000 0.00000 0.00012 0.00059 0.00000 42 3PY 0.00000 0.00000 -0.00334 -0.01421 0.00000 43 3PZ 0.00000 0.00085 0.00018 -0.00034 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00011 -0.00113 45 4YY 0.00000 0.00000 0.00002 -0.00017 -0.00134 46 4ZZ 0.00000 0.00000 0.00000 0.00014 -0.00127 47 4XY 0.00000 0.00000 0.00003 0.00012 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 -0.00022 0.00005 0.00026 0.00000 50 6 H 1S 0.00000 0.00005 -0.00001 -0.00093 -0.00198 51 2S 0.00000 0.00026 -0.00093 -0.00553 -0.00120 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00001 0.00000 0.00013 -0.00054 54 2PX 0.00000 0.00005 0.00000 0.00023 -0.00132 55 2PY 0.00000 0.00002 0.00000 0.00019 -0.00067 56 2PZ 0.00000 0.00000 0.00000 0.00011 -0.00092 57 3S 0.00000 0.00009 0.00011 0.00169 -0.00055 58 3PX 0.00000 0.00018 0.00012 0.00167 -0.00102 59 3PY 0.00001 0.00006 0.00006 0.00108 -0.00058 60 3PZ 0.00000 0.00002 0.00007 0.00063 -0.00032 61 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 62 4YY 0.00000 0.00000 0.00000 -0.00002 0.00002 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 -0.00008 65 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00012 66 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00006 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 -0.00014 0.00019 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00001 -0.00004 0.00000 -0.00001 0.00004 75 3PX 0.00000 -0.00001 0.00000 -0.00005 0.00004 76 3PY -0.00002 0.00001 0.00000 -0.00001 0.00000 77 3PZ 0.00000 -0.00001 0.00000 -0.00008 0.00012 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 0.00002 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00000 0.00008 0.00000 90 2PX 0.00001 0.00000 0.00000 0.00009 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 92 2PZ 0.00005 0.00000 0.00000 0.00033 0.00000 93 3S 0.00008 -0.00001 0.00008 0.00142 0.00002 94 3PX 0.00001 0.00000 0.00002 0.00048 0.00000 95 3PY 0.00000 -0.00001 0.00001 0.00015 0.00001 96 3PZ 0.00018 0.00000 0.00020 0.00283 0.00002 97 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 -0.00019 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 -0.00001 0.00000 -0.00005 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00009 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 112 3S 0.00000 0.00000 0.00001 0.00027 0.00000 113 3PX 0.00000 0.00000 0.00001 0.00048 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 115 3PZ 0.00000 0.00000 -0.00002 -0.00021 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00003 0.00027 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 -0.00007 0.00001 130 3PX 0.00000 0.00000 0.00000 -0.00003 0.00004 131 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00004 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00002 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.32494 37 2PX 0.00000 0.36898 38 2PY 0.00000 0.00000 0.41333 39 2PZ 0.00000 0.00000 0.00000 0.39025 40 3S 0.20118 0.00000 0.00000 0.00000 0.25018 41 3PX 0.00000 0.10337 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 0.07887 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.09571 0.00000 44 4XX -0.00672 0.00000 0.00000 0.00000 -0.00354 45 4YY -0.00218 0.00000 0.00000 0.00000 -0.00195 46 4ZZ -0.00380 0.00000 0.00000 0.00000 -0.00155 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.03084 0.02434 0.02413 0.04942 0.04348 51 2S 0.01191 0.01599 0.01561 0.03421 0.03825 52 7 C 1S -0.00058 -0.00143 -0.00062 -0.00090 0.00070 53 2S 0.01133 0.02095 0.00932 0.01263 0.00573 54 2PX 0.02023 -0.00055 0.01787 0.03921 0.00752 55 2PY 0.00933 0.01821 -0.00038 0.00743 0.01234 56 2PZ 0.01359 0.03422 0.00930 0.00060 0.00723 57 3S 0.01142 0.02148 0.00587 0.01306 -0.01479 58 3PX 0.01278 0.00240 0.00815 0.02064 -0.00311 59 3PY 0.00673 0.00700 -0.00072 0.00273 0.00538 60 3PZ 0.00387 0.01530 0.00375 0.00258 0.00231 61 4XX 0.00058 -0.00099 0.00080 0.00134 0.00123 62 4YY -0.00045 -0.00024 -0.00025 -0.00020 -0.00158 63 4ZZ -0.00019 0.00034 0.00013 -0.00071 0.00062 64 4XY 0.00082 0.00030 -0.00003 0.00116 0.00021 65 4XZ 0.00116 0.00034 0.00095 0.00003 0.00039 66 4YZ 0.00065 0.00116 -0.00001 0.00009 0.00020 67 8 H 1S -0.00019 -0.00019 -0.00047 -0.00007 -0.00450 68 2S -0.00267 -0.00256 -0.00650 -0.00039 -0.01535 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 70 2S -0.00004 -0.00005 0.00000 -0.00015 -0.00042 71 2PX -0.00007 0.00000 0.00000 -0.00022 -0.00083 72 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 73 2PZ -0.00017 -0.00033 0.00000 -0.00022 -0.00011 74 3S -0.00076 0.00005 0.00002 -0.00379 0.00249 75 3PX -0.00064 0.00002 -0.00002 -0.00115 -0.00096 76 3PY 0.00003 0.00002 0.00013 0.00009 0.00009 77 3PZ -0.00216 -0.00313 0.00004 -0.00216 0.00151 78 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 79 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 80 4ZZ 0.00000 0.00004 0.00000 -0.00001 0.00005 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00001 -0.00001 0.00000 0.00008 0.00006 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00011 85 2S -0.00006 0.00013 0.00000 -0.00054 -0.00081 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 87 2S 0.00015 -0.00001 0.00002 0.00041 0.00079 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 89 2S 0.00000 0.00000 0.00000 -0.00001 -0.00036 90 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00014 91 2PY 0.00000 -0.00002 0.00001 0.00000 -0.00023 92 2PZ -0.00001 0.00001 -0.00002 -0.00002 -0.00137 93 3S -0.00039 -0.00025 -0.00037 -0.00016 -0.00468 94 3PX -0.00005 0.00000 -0.00004 -0.00005 -0.00064 95 3PY -0.00022 -0.00053 0.00010 0.00006 -0.00149 96 3PZ -0.00032 0.00017 -0.00076 -0.00016 -0.00522 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00004 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00005 100 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 104 2S 0.00000 0.00001 0.00001 -0.00001 0.00036 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00004 106 2S 0.00001 -0.00002 -0.00001 0.00010 0.00051 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00003 109 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00037 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 112 3S -0.00005 -0.00055 -0.00007 -0.00003 -0.00077 113 3PX -0.00017 -0.00188 -0.00021 -0.00012 -0.00191 114 3PY -0.00002 0.00051 0.00001 0.00004 -0.00001 115 3PZ 0.00000 -0.00014 -0.00002 0.00020 -0.00021 116 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 123 2S 0.00000 0.00011 0.00000 0.00003 0.00017 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 125 2S 0.00000 -0.00002 0.00000 0.00000 -0.00029 126 2PX -0.00002 -0.00008 0.00000 0.00000 0.00029 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 129 3S -0.00022 -0.00141 0.00000 -0.00006 -0.00023 130 3PX -0.00065 -0.00046 0.00000 0.00001 0.00033 131 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 132 3PZ -0.00006 -0.00019 0.00000 -0.00011 0.00006 133 4XX 0.00000 0.00001 0.00000 0.00000 -0.00004 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00007 140 2S -0.00003 -0.00049 0.00002 -0.00005 -0.00016 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00002 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00001 0.00000 0.00000 0.00008 163 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 41 42 43 44 45 41 3PX 0.12006 42 3PY 0.00000 0.06239 43 3PZ 0.00000 0.00000 0.09333 44 4XX 0.00000 0.00000 0.00000 0.00092 45 4YY 0.00000 0.00000 0.00000 -0.00008 0.00114 46 4ZZ 0.00000 0.00000 0.00000 0.00007 -0.00006 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00827 0.01004 0.02189 -0.00039 -0.00082 51 2S 0.00515 0.00742 0.02133 0.00025 -0.00134 52 7 C 1S -0.00061 -0.00036 0.00035 -0.00003 0.00001 53 2S 0.01225 0.00248 0.00195 0.00051 -0.00046 54 2PX 0.00364 0.01208 0.01597 -0.00076 -0.00034 55 2PY 0.00804 0.00133 0.00064 0.00066 -0.00027 56 2PZ 0.01439 0.00368 0.00348 0.00099 -0.00033 57 3S 0.01147 0.00030 0.00067 0.00113 -0.00076 58 3PX 0.01819 0.01056 0.01520 -0.00122 0.00007 59 3PY 0.00358 0.00090 -0.00047 0.00038 -0.00056 60 3PZ 0.01267 -0.00004 0.01138 0.00142 -0.00054 61 4XX -0.00161 0.00080 0.00174 -0.00002 -0.00003 62 4YY -0.00023 -0.00043 -0.00022 -0.00004 0.00004 63 4ZZ 0.00152 -0.00031 -0.00113 0.00005 -0.00005 64 4XY 0.00001 0.00000 0.00013 -0.00003 0.00000 65 4XZ -0.00002 0.00016 0.00002 -0.00001 -0.00005 66 4YZ 0.00018 -0.00002 0.00003 0.00000 0.00000 67 8 H 1S -0.00159 -0.00036 -0.00043 -0.00001 0.00009 68 2S -0.00583 -0.00202 -0.00017 -0.00026 0.00097 69 9 C 1S 0.00001 0.00000 0.00012 0.00000 0.00000 70 2S 0.00002 -0.00003 -0.00177 0.00000 0.00000 71 2PX 0.00015 -0.00008 -0.00219 0.00000 0.00000 72 2PY -0.00002 0.00019 0.00001 0.00000 0.00000 73 2PZ -0.00079 -0.00014 0.00070 0.00001 0.00000 74 3S 0.00384 -0.00018 -0.00951 0.00010 -0.00012 75 3PX 0.00004 -0.00013 -0.00300 0.00000 -0.00003 76 3PY -0.00002 0.00105 0.00013 0.00000 0.00000 77 3PZ -0.00198 -0.00016 0.00127 0.00004 -0.00015 78 4XX -0.00008 0.00001 0.00026 0.00000 0.00000 79 4YY -0.00007 0.00000 -0.00002 0.00000 0.00000 80 4ZZ 0.00033 -0.00001 -0.00022 0.00000 0.00000 81 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 82 4XZ -0.00006 0.00001 0.00029 0.00000 0.00000 83 4YZ 0.00000 -0.00005 0.00000 0.00000 0.00000 84 10 H 1S 0.00013 -0.00002 -0.00097 0.00000 0.00000 85 2S 0.00059 -0.00011 -0.00406 0.00002 0.00000 86 11 H 1S -0.00005 0.00005 0.00015 0.00000 0.00000 87 2S -0.00099 0.00047 0.00248 -0.00001 0.00000 88 12 C 1S 0.00000 0.00001 0.00001 0.00000 0.00000 89 2S 0.00006 -0.00018 -0.00042 0.00000 0.00000 90 2PX 0.00004 -0.00033 -0.00003 0.00000 0.00000 91 2PY -0.00038 0.00008 0.00010 0.00000 0.00000 92 2PZ -0.00006 -0.00076 -0.00116 0.00000 0.00000 93 3S -0.00148 -0.00260 -0.00055 -0.00002 0.00003 94 3PX 0.00000 -0.00082 0.00000 -0.00001 0.00000 95 3PY -0.00158 0.00001 0.00079 -0.00003 0.00004 96 3PZ -0.00027 -0.00250 -0.00210 0.00001 -0.00002 97 4XX 0.00001 0.00003 0.00004 0.00000 0.00000 98 4YY 0.00001 0.00003 -0.00005 0.00000 0.00000 99 4ZZ -0.00002 -0.00009 0.00001 0.00000 0.00000 100 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 101 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00000 102 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 103 13 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 104 2S 0.00036 0.00040 -0.00010 0.00000 0.00000 105 14 H 1S 0.00000 -0.00002 0.00010 0.00000 0.00000 106 2S -0.00015 -0.00030 0.00142 0.00000 0.00000 107 15 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 108 2S -0.00038 -0.00004 -0.00003 0.00000 0.00000 109 2PX -0.00239 -0.00037 -0.00012 0.00000 0.00000 110 2PY 0.00020 -0.00001 0.00002 0.00000 0.00000 111 2PZ -0.00018 -0.00002 0.00015 0.00000 0.00000 112 3S -0.00413 -0.00081 -0.00023 0.00000 0.00000 113 3PX -0.00958 -0.00165 -0.00061 0.00000 -0.00001 114 3PY 0.00283 0.00000 0.00017 0.00000 0.00001 115 3PZ -0.00097 -0.00014 0.00122 0.00000 0.00000 116 4XX -0.00001 -0.00001 0.00000 0.00000 0.00000 117 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 119 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00006 0.00002 0.00000 0.00000 0.00000 123 2S 0.00120 0.00023 0.00028 0.00000 0.00000 124 17 C 1S 0.00006 0.00000 0.00000 0.00000 0.00000 125 2S -0.00144 0.00000 -0.00004 0.00000 0.00000 126 2PX -0.00170 0.00000 -0.00016 0.00001 0.00000 127 2PY -0.00001 -0.00003 0.00000 0.00000 0.00000 128 2PZ -0.00008 0.00000 0.00001 0.00000 0.00000 129 3S -0.00790 0.00001 -0.00039 0.00005 -0.00002 130 3PX -0.00260 0.00001 -0.00020 0.00034 -0.00007 131 3PY -0.00002 -0.00005 0.00000 0.00000 0.00000 132 3PZ -0.00045 0.00000 0.00051 0.00003 0.00000 133 4XX 0.00027 0.00000 0.00003 0.00000 0.00000 134 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 135 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 137 4XZ 0.00002 0.00000 -0.00001 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S -0.00081 0.00003 -0.00026 0.00000 0.00000 140 2S -0.00194 0.00021 -0.00063 -0.00004 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00006 0.00001 0.00000 0.00000 0.00000 147 3PX 0.00032 0.00005 -0.00003 0.00000 0.00000 148 3PY 0.00002 0.00000 0.00001 0.00000 0.00000 149 3PZ -0.00004 0.00000 -0.00001 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00024 0.00001 -0.00003 0.00000 0.00000 162 3PX 0.00030 0.00004 0.00002 0.00000 0.00000 163 3PY -0.00003 0.00001 0.00000 0.00000 0.00000 164 3PZ -0.00005 0.00000 0.00003 0.00000 0.00000 165 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00004 0.00000 0.00000 0.00000 0.00000 177 3PX -0.00003 0.00000 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ -0.00005 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00005 0.00000 0.00001 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00089 47 4XY 0.00000 0.00095 48 4XZ 0.00000 0.00000 0.00067 49 4YZ 0.00000 0.00000 0.00000 0.00117 50 6 H 1S 0.00159 0.00114 0.00171 0.00226 0.21693 51 2S 0.00254 0.00027 0.00030 0.00053 0.11782 52 7 C 1S 0.00000 -0.00008 -0.00009 -0.00007 0.00000 53 2S 0.00001 0.00083 0.00097 0.00068 -0.00020 54 2PX 0.00041 0.00020 0.00031 0.00123 -0.00035 55 2PY 0.00025 -0.00002 0.00104 -0.00001 0.00000 56 2PZ -0.00055 0.00121 -0.00005 0.00005 -0.00037 57 3S -0.00044 0.00045 0.00026 0.00036 -0.00410 58 3PX 0.00087 0.00000 -0.00001 0.00030 -0.00228 59 3PY -0.00013 0.00002 0.00009 0.00001 -0.00011 60 3PZ -0.00080 0.00025 0.00002 0.00004 -0.00102 61 4XX 0.00002 0.00000 0.00000 -0.00007 0.00002 62 4YY -0.00006 0.00000 -0.00010 0.00000 -0.00001 63 4ZZ 0.00002 -0.00010 0.00001 -0.00002 0.00006 64 4XY -0.00005 0.00001 0.00000 0.00001 0.00000 65 4XZ 0.00001 -0.00001 0.00003 0.00000 0.00005 66 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00001 0.00004 -0.00001 0.00002 -0.00001 68 2S -0.00025 0.00009 -0.00008 0.00008 -0.00105 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00001 0.00000 0.00001 0.00000 0.00000 71 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00006 0.00000 0.00005 0.00000 0.00000 74 3S 0.00018 0.00000 0.00008 -0.00001 0.00008 75 3PX 0.00015 0.00000 0.00001 0.00000 0.00002 76 3PY -0.00001 -0.00003 0.00000 -0.00001 0.00001 77 3PZ 0.00050 -0.00001 0.00018 0.00000 0.00020 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00004 0.00000 -0.00001 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00001 0.00000 0.00000 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00003 0.00000 -0.00001 -0.00004 0.00000 94 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 95 3PY -0.00002 0.00000 -0.00002 0.00001 0.00000 96 3PZ 0.00003 -0.00003 0.00000 -0.00001 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 0.00000 0.00001 130 3PX -0.00009 0.00000 0.00000 0.00000 0.00001 131 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00002 -0.00001 0.00000 0.00000 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.17163 52 7 C 1S 0.00026 2.05499 53 2S -0.00341 -0.01343 0.32633 54 2PX -0.00577 0.00000 0.00000 0.35438 55 2PY 0.00001 0.00000 0.00000 0.00000 0.41150 56 2PZ -0.00550 0.00000 0.00000 0.00000 0.00000 57 3S -0.01508 -0.03646 0.23618 0.00000 0.00000 58 3PX -0.01065 0.00000 0.00000 0.11186 0.00000 59 3PY -0.00026 0.00000 0.00000 0.00000 0.07408 60 3PZ -0.00394 0.00000 0.00000 0.00000 0.00000 61 4XX 0.00015 -0.00090 -0.00921 0.00000 0.00000 62 4YY -0.00035 -0.00145 0.00112 0.00000 0.00000 63 4ZZ 0.00070 -0.00111 -0.00519 0.00000 0.00000 64 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00009 0.00000 0.00000 0.00000 0.00000 66 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00104 -0.00196 0.03098 0.00106 0.09693 68 2S -0.00589 -0.00121 0.01237 0.00024 0.06457 69 9 C 1S 0.00000 0.00000 -0.00019 -0.00012 -0.00024 70 2S 0.00008 -0.00020 0.00510 0.00224 0.00425 71 2PX 0.00009 -0.00009 0.00176 0.00003 0.00094 72 2PY 0.00001 -0.00019 0.00373 0.00070 -0.00061 73 2PZ 0.00033 -0.00117 0.02396 0.00786 0.01395 74 3S 0.00142 0.00013 0.00691 0.00562 0.00985 75 3PX 0.00047 -0.00008 0.00178 0.00000 0.00068 76 3PY 0.00015 -0.00024 0.00227 0.00058 0.00033 77 3PZ 0.00283 -0.00127 0.01979 0.00423 0.00825 78 4XX -0.00001 0.00000 -0.00030 0.00003 -0.00008 79 4YY 0.00000 0.00000 -0.00018 -0.00003 -0.00006 80 4ZZ 0.00000 -0.00007 0.00165 0.00057 0.00108 81 4XY 0.00000 0.00000 0.00007 0.00004 0.00000 82 4XZ -0.00001 -0.00002 0.00038 0.00047 0.00020 83 4YZ 0.00000 -0.00005 0.00083 0.00023 0.00005 84 10 H 1S 0.00000 0.00000 -0.00019 0.00001 -0.00001 85 2S -0.00005 0.00018 -0.00333 -0.00013 -0.00013 86 11 H 1S 0.00000 0.00000 -0.00015 -0.00026 0.00000 87 2S -0.00019 0.00020 -0.00288 -0.00584 -0.00012 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 -0.00002 0.00000 -0.00008 90 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 91 2PY 0.00000 0.00000 -0.00011 0.00000 -0.00027 92 2PZ 0.00000 0.00000 -0.00004 0.00000 -0.00004 93 3S -0.00001 0.00000 -0.00058 -0.00039 -0.00336 94 3PX -0.00005 0.00000 -0.00008 0.00020 -0.00018 95 3PY -0.00001 0.00009 -0.00203 -0.00019 -0.00451 96 3PZ -0.00008 0.00000 -0.00047 -0.00017 -0.00023 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00003 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00002 0.00000 0.00009 0.00011 0.00015 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00006 0.00001 0.00010 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00001 0.00000 -0.00001 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00007 0.00000 -0.00020 -0.00015 -0.00051 113 3PX -0.00003 0.00001 -0.00047 -0.00029 -0.00024 114 3PY -0.00001 -0.00001 0.00003 -0.00009 -0.00035 115 3PZ 0.00004 0.00000 -0.00022 -0.00033 -0.00015 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00002 0.00000 0.00002 0.00003 0.00003 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00008 0.00013 0.00001 126 2PX 0.00009 0.00000 0.00003 0.00205 0.00028 127 2PY 0.00001 0.00000 -0.00002 0.00020 -0.00001 128 2PZ -0.00001 0.00000 0.00008 0.00112 0.00010 129 3S 0.00027 0.00016 -0.00065 0.00235 0.00090 130 3PX 0.00048 0.00003 -0.00040 0.00813 0.00149 131 3PY 0.00001 0.00000 -0.00033 0.00105 0.00026 132 3PZ -0.00021 0.00004 0.00025 0.00633 0.00056 133 4XX 0.00000 0.00000 0.00003 0.00012 0.00002 134 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 135 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00000 136 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 137 4XZ 0.00000 0.00000 0.00002 0.00007 0.00001 138 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 139 18 H 1S 0.00000 0.00000 -0.00002 -0.00005 0.00000 140 2S 0.00027 0.00003 -0.00065 -0.00108 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 -0.00009 0.00000 162 3PX -0.00001 0.00000 -0.00011 -0.00099 -0.00002 163 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 164 3PZ 0.00000 0.00000 -0.00001 -0.00009 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00002 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00003 0.00000 56 57 58 59 60 56 2PZ 0.38398 57 3S 0.00000 0.30081 58 3PX 0.00000 0.00000 0.12483 59 3PY 0.00000 0.00000 0.00000 0.05323 60 3PZ 0.09697 0.00000 0.00000 0.00000 0.09657 61 4XX 0.00000 -0.00711 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00243 0.00000 0.00000 0.00000 63 4ZZ 0.00000 -0.00427 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00068 0.04241 0.00025 0.04297 0.00017 68 2S 0.00047 0.02339 -0.00063 0.04179 -0.00011 69 9 C 1S -0.00094 -0.00008 -0.00013 -0.00030 -0.00056 70 2S 0.01883 0.00439 0.00143 0.00328 0.01093 71 2PX 0.00645 0.00231 0.00002 0.00013 0.00150 72 2PY 0.01262 0.00319 0.00032 -0.00170 0.00726 73 2PZ 0.04478 0.02221 0.00378 0.00270 0.01199 74 3S 0.01742 0.00013 0.00755 0.00650 -0.00032 75 3PX 0.00363 0.00179 -0.00074 -0.00003 0.00122 76 3PY 0.00763 0.00226 0.00009 -0.00190 0.00564 77 3PZ 0.01547 0.01205 0.00262 0.00066 0.00189 78 4XX -0.00039 -0.00097 -0.00026 0.00001 0.00003 79 4YY -0.00029 -0.00038 -0.00014 -0.00034 -0.00005 80 4ZZ 0.00022 0.00238 0.00065 0.00048 -0.00049 81 4XY 0.00021 0.00004 0.00006 0.00001 0.00003 82 4XZ 0.00058 0.00013 0.00054 0.00001 0.00015 83 4YZ 0.00129 0.00035 0.00005 0.00023 0.00018 84 10 H 1S -0.00045 -0.00122 -0.00012 0.00015 -0.00578 85 2S -0.00665 -0.00381 -0.00091 0.00030 -0.01805 86 11 H 1S -0.00029 -0.00231 -0.00205 0.00010 0.00032 87 2S -0.00246 -0.01154 -0.01240 -0.00013 0.00540 88 12 C 1S 0.00000 0.00002 0.00001 0.00005 0.00001 89 2S -0.00005 -0.00040 -0.00009 -0.00095 -0.00046 90 2PX 0.00000 -0.00011 -0.00005 0.00000 0.00006 91 2PY -0.00017 -0.00123 -0.00020 -0.00108 -0.00158 92 2PZ -0.00006 0.00017 -0.00019 0.00177 -0.00044 93 3S 0.00006 -0.00142 -0.00183 -0.00547 0.00200 94 3PX 0.00002 -0.00033 0.00051 -0.00014 0.00022 95 3PY -0.00131 -0.00425 -0.00083 -0.00386 -0.00215 96 3PZ -0.00028 0.00049 -0.00061 0.00274 -0.00014 97 4XX 0.00000 0.00001 0.00001 -0.00005 0.00000 98 4YY 0.00000 0.00002 0.00003 0.00004 -0.00010 99 4ZZ 0.00000 -0.00002 -0.00004 0.00006 0.00006 100 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 101 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 102 4YZ 0.00002 0.00005 0.00002 0.00002 0.00006 103 13 H 1S 0.00000 0.00004 0.00005 -0.00005 0.00002 104 2S 0.00006 0.00041 0.00088 -0.00026 -0.00010 105 14 H 1S 0.00000 -0.00001 0.00000 -0.00011 0.00024 106 2S 0.00023 0.00004 0.00006 -0.00014 0.00192 107 15 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 108 2S 0.00000 -0.00008 -0.00017 -0.00005 -0.00007 109 2PX 0.00000 0.00018 -0.00033 0.00062 0.00000 110 2PY 0.00000 -0.00011 -0.00054 -0.00002 -0.00031 111 2PZ 0.00000 0.00003 -0.00034 0.00023 0.00000 112 3S 0.00013 -0.00008 -0.00065 -0.00001 0.00038 113 3PX -0.00026 0.00010 -0.00162 0.00160 -0.00079 114 3PY 0.00017 -0.00080 0.00023 -0.00060 -0.00008 115 3PZ 0.00000 0.00043 -0.00178 0.00094 -0.00006 116 4XX 0.00000 0.00001 -0.00002 0.00002 -0.00001 117 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 118 4ZZ 0.00000 -0.00001 0.00001 -0.00002 0.00000 119 4XY 0.00000 0.00001 0.00007 0.00002 0.00004 120 4XZ 0.00000 0.00000 -0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00001 0.00005 0.00001 0.00000 122 16 H 1S 0.00000 0.00000 0.00004 -0.00001 0.00002 123 2S 0.00003 0.00009 0.00051 -0.00013 0.00041 124 17 C 1S 0.00000 0.00004 0.00004 -0.00002 -0.00005 125 2S 0.00005 0.00014 -0.00038 0.00039 0.00064 126 2PX 0.00072 0.00062 0.00777 0.00086 0.00476 127 2PY 0.00004 0.00007 0.00086 -0.00007 0.00059 128 2PZ 0.00022 0.00129 0.00550 0.00059 0.00007 129 3S -0.00066 0.00127 0.00243 0.00173 0.00107 130 3PX 0.00514 0.00342 0.01259 0.00220 0.01183 131 3PY 0.00060 0.00015 0.00213 -0.00001 0.00151 132 3PZ 0.00003 0.00207 0.01153 0.00088 -0.00216 133 4XX 0.00006 0.00056 0.00070 0.00021 0.00049 134 4YY 0.00000 -0.00011 -0.00015 -0.00003 -0.00009 135 4ZZ -0.00001 -0.00023 -0.00026 -0.00012 -0.00012 136 4XY 0.00001 -0.00001 0.00006 0.00004 0.00003 137 4XZ 0.00001 0.00006 0.00018 0.00002 0.00001 138 4YZ 0.00000 0.00000 0.00007 0.00001 0.00000 139 18 H 1S -0.00005 -0.00059 -0.00157 0.00000 -0.00084 140 2S -0.00123 -0.00384 -0.00491 -0.00002 -0.00396 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 143 2PX 0.00000 0.00000 0.00001 -0.00001 0.00000 144 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00007 -0.00005 -0.00008 -0.00001 147 3PX 0.00000 -0.00007 0.00013 -0.00022 0.00000 148 3PY 0.00000 -0.00007 0.00010 -0.00003 0.00000 149 3PZ 0.00000 -0.00001 0.00000 -0.00002 0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 0.00004 0.00008 0.00001 -0.00002 158 2PX 0.00000 -0.00039 -0.00078 -0.00007 -0.00008 159 2PY 0.00000 -0.00002 0.00002 0.00001 0.00000 160 2PZ 0.00000 -0.00005 -0.00005 -0.00001 0.00012 161 3S 0.00001 0.00004 0.00080 0.00005 -0.00007 162 3PX -0.00003 -0.00342 -0.00509 -0.00042 -0.00053 163 3PY 0.00000 -0.00013 0.00011 0.00010 -0.00002 164 3PZ 0.00005 -0.00044 -0.00047 -0.00005 0.00119 165 4XX 0.00000 -0.00002 0.00010 0.00000 0.00001 166 4YY 0.00000 0.00002 -0.00003 0.00000 0.00000 167 4ZZ 0.00000 0.00000 -0.00005 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00001 -0.00001 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00002 0.00001 0.00001 -0.00001 174 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00009 0.00016 0.00004 -0.00002 177 3PX 0.00000 0.00001 -0.00008 -0.00005 -0.00002 178 3PY 0.00000 -0.00005 -0.00006 0.00000 0.00000 179 3PZ 0.00000 0.00002 0.00004 0.00002 0.00010 180 4XX 0.00000 -0.00001 -0.00001 -0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00003 -0.00003 -0.00002 0.00000 188 23 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 189 2S -0.00001 0.00037 0.00025 0.00025 -0.00019 61 62 63 64 65 61 4XX 0.00150 62 4YY -0.00017 0.00186 63 4ZZ 0.00002 -0.00024 0.00145 64 4XY 0.00000 0.00000 0.00000 0.00042 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00069 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00103 0.00754 -0.00119 0.00009 0.00001 68 2S -0.00176 0.00685 -0.00308 0.00002 0.00000 69 9 C 1S 0.00000 0.00001 -0.00008 0.00000 -0.00002 70 2S -0.00025 -0.00028 0.00172 0.00008 0.00027 71 2PX 0.00003 -0.00004 0.00057 0.00002 0.00055 72 2PY -0.00003 -0.00005 0.00113 0.00000 0.00016 73 2PZ -0.00056 -0.00046 -0.00015 0.00023 0.00036 74 3S -0.00076 -0.00147 0.00324 0.00007 0.00015 75 3PX -0.00020 -0.00007 0.00038 0.00002 0.00045 76 3PY -0.00013 -0.00036 0.00082 0.00000 0.00003 77 3PZ -0.00046 -0.00094 0.00011 0.00007 0.00003 78 4XX 0.00002 -0.00001 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00002 -0.00008 0.00000 -0.00001 80 4ZZ -0.00005 -0.00006 0.00007 0.00000 -0.00001 81 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 82 4XZ 0.00000 -0.00001 -0.00007 0.00001 -0.00005 83 4YZ -0.00002 0.00000 -0.00007 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00014 0.00000 0.00002 85 2S -0.00007 -0.00012 0.00070 0.00000 0.00008 86 11 H 1S 0.00003 0.00000 0.00001 0.00000 0.00008 87 2S 0.00057 -0.00014 -0.00023 -0.00001 0.00030 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00001 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00005 -0.00001 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S -0.00002 0.00026 -0.00011 0.00001 0.00000 94 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 95 3PY -0.00003 0.00058 -0.00029 0.00001 -0.00001 96 3PZ -0.00003 0.00000 0.00001 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00001 0.00001 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00001 -0.00002 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00004 0.00002 -0.00003 0.00000 0.00001 113 3PX 0.00010 -0.00002 -0.00004 0.00002 0.00001 114 3PY -0.00008 0.00003 0.00001 0.00000 -0.00001 115 3PZ 0.00007 -0.00001 -0.00002 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00003 0.00000 0.00000 0.00000 0.00002 126 2PX 0.00009 -0.00001 0.00000 0.00003 0.00009 127 2PY 0.00003 0.00000 0.00000 0.00000 0.00002 128 2PZ 0.00004 0.00000 0.00000 0.00001 0.00001 129 3S 0.00037 -0.00017 -0.00001 0.00003 0.00009 130 3PX 0.00047 -0.00022 0.00002 0.00005 0.00022 131 3PY 0.00013 0.00000 -0.00004 0.00000 0.00006 132 3PZ 0.00026 -0.00007 -0.00001 0.00005 0.00001 133 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00006 -0.00002 0.00003 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00003 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 4YZ 0.00065 67 8 H 1S 0.00008 0.21714 68 2S 0.00001 0.11577 0.16496 69 9 C 1S -0.00004 0.00000 0.00016 2.05092 70 2S 0.00072 -0.00013 -0.00247 -0.01170 0.30682 71 2PX 0.00018 -0.00001 -0.00020 0.00000 0.00000 72 2PY 0.00007 -0.00028 -0.00447 0.00000 0.00000 73 2PZ 0.00127 -0.00025 -0.00431 0.00000 0.00000 74 3S 0.00038 -0.00400 -0.01623 -0.03425 0.22725 75 3PX 0.00004 -0.00014 -0.00051 0.00000 0.00000 76 3PY 0.00015 -0.00098 -0.00528 0.00000 0.00000 77 3PZ 0.00018 -0.00282 -0.00971 0.00000 0.00000 78 4XX -0.00003 0.00000 -0.00003 -0.00141 0.00014 79 4YY 0.00000 0.00004 0.00065 -0.00123 -0.00365 80 4ZZ -0.00002 -0.00001 -0.00038 -0.00129 -0.00249 81 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 82 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 83 4YZ 0.00000 0.00004 0.00010 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 -0.00015 -0.00166 0.02734 85 2S -0.00003 -0.00017 -0.00034 -0.00064 0.00994 86 11 H 1S 0.00000 -0.00001 -0.00027 -0.00170 0.02785 87 2S -0.00002 -0.00039 -0.00001 -0.00043 0.00951 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 89 2S 0.00001 0.00000 0.00006 -0.00013 0.00349 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00005 0.00000 0.00029 -0.00105 0.02291 92 2PZ 0.00000 0.00000 0.00004 0.00000 0.00000 93 3S 0.00006 0.00007 0.00130 0.00028 0.00260 94 3PX 0.00000 0.00000 0.00003 0.00000 0.00000 95 3PY 0.00017 0.00023 0.00301 -0.00147 0.02052 96 3PZ 0.00001 0.00000 0.00018 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 -0.00023 98 4YY 0.00000 0.00000 0.00000 -0.00011 0.00250 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00022 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 104 2S 0.00000 0.00000 -0.00015 0.00009 -0.00166 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 106 2S -0.00001 0.00000 -0.00011 0.00013 -0.00208 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00001 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00001 0.00040 0.00000 -0.00017 113 3PX 0.00000 -0.00001 0.00008 0.00001 -0.00011 114 3PY 0.00000 0.00003 0.00046 0.00000 -0.00002 115 3PZ 0.00000 0.00000 0.00008 0.00001 -0.00033 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00009 0.00000 0.00000 126 2PX 0.00001 -0.00001 -0.00062 0.00000 -0.00001 127 2PY 0.00000 -0.00001 -0.00045 0.00000 0.00000 128 2PZ 0.00000 0.00000 -0.00017 0.00000 -0.00002 129 3S 0.00000 -0.00055 -0.00324 0.00001 -0.00003 130 3PX 0.00004 -0.00060 -0.00284 0.00002 -0.00065 131 3PY 0.00000 0.00020 0.00072 0.00000 -0.00002 132 3PZ 0.00000 -0.00018 -0.00111 0.00004 -0.00040 133 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 135 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 -0.00011 0.00000 0.00000 140 2S 0.00000 -0.00011 -0.00016 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 -0.00001 0.00000 0.00001 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00002 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00026 0.00000 -0.00001 162 3PX 0.00000 0.00000 0.00011 0.00000 -0.00005 163 3PY 0.00000 0.00000 0.00012 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00002 165 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 0.00000 -0.00002 177 3PX 0.00000 0.00000 -0.00001 0.00000 0.00002 178 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00001 0.00000 -0.00002 71 72 73 74 75 71 2PX 0.41189 72 2PY 0.00000 0.38123 73 2PZ 0.00000 0.00000 0.38896 74 3S 0.00000 0.00000 0.00000 0.30211 75 3PX 0.10594 0.00000 0.00000 0.00000 0.08584 76 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.10249 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00324 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.04272 0.00964 0.04453 0.03402 0.02650 85 2S 0.02854 0.00579 0.02891 0.01331 0.02786 86 11 H 1S 0.07932 0.01251 0.00677 0.03034 0.05113 87 2S 0.05032 0.00742 0.00406 -0.00476 0.04889 88 12 C 1S 0.00000 -0.00105 0.00000 0.00028 0.00000 89 2S 0.00000 0.02291 0.00000 0.00260 0.00000 90 2PX -0.00005 0.00000 0.00000 0.00000 -0.00094 91 2PY 0.00000 0.07729 0.00000 0.02763 0.00000 92 2PZ 0.00000 0.00000 0.00042 0.00000 0.00000 93 3S 0.00000 0.02762 0.00000 -0.01566 0.00000 94 3PX -0.00093 0.00000 0.00000 0.00000 -0.00257 95 3PY 0.00000 0.03407 0.00000 0.01958 0.00000 96 3PZ 0.00000 0.00000 -0.00123 0.00000 0.00000 97 4XX 0.00000 -0.00056 0.00000 -0.00079 0.00000 98 4YY 0.00000 0.00251 0.00000 0.00369 0.00000 99 4ZZ 0.00000 -0.00064 0.00000 -0.00124 0.00000 100 4XY 0.00114 0.00000 0.00000 0.00000 0.00074 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00104 0.00000 0.00000 103 13 H 1S -0.00012 -0.00032 0.00000 -0.00121 -0.00112 104 2S -0.00196 -0.00464 -0.00003 -0.00089 -0.00407 105 14 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 106 2S -0.00121 -0.00487 -0.00080 -0.00794 -0.00243 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00007 0.00001 109 2PX 0.00000 0.00000 0.00000 -0.00023 0.00009 110 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00002 111 2PZ 0.00000 0.00000 0.00000 -0.00031 0.00010 112 3S 0.00000 -0.00002 -0.00038 -0.00190 0.00017 113 3PX 0.00007 -0.00012 -0.00016 -0.00155 0.00026 114 3PY -0.00009 0.00002 -0.00014 -0.00027 -0.00044 115 3PZ 0.00003 -0.00001 -0.00046 -0.00264 0.00062 116 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00014 -0.00002 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 125 2S -0.00001 0.00000 -0.00001 -0.00015 -0.00016 126 2PX -0.00001 0.00000 -0.00003 -0.00017 -0.00018 127 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 128 2PZ -0.00002 0.00000 -0.00004 -0.00002 0.00018 129 3S -0.00003 -0.00001 0.00044 0.00071 -0.00008 130 3PX -0.00038 0.00000 -0.00139 -0.00065 -0.00045 131 3PY -0.00001 -0.00002 -0.00005 -0.00007 -0.00004 132 3PZ -0.00034 0.00000 -0.00007 0.00098 -0.00007 133 4XX 0.00000 0.00000 0.00000 0.00004 0.00004 134 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00001 135 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00003 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00002 140 2S 0.00001 0.00000 0.00004 -0.00002 -0.00010 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00002 -0.00001 144 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 145 2PZ 0.00000 0.00000 0.00000 0.00001 0.00002 146 3S 0.00000 0.00000 0.00000 0.00006 -0.00005 147 3PX 0.00000 0.00000 0.00001 0.00035 -0.00009 148 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00024 149 3PZ 0.00000 0.00000 0.00000 0.00016 0.00012 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00009 -0.00007 158 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00019 159 2PY 0.00000 0.00000 0.00000 0.00002 0.00004 160 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00031 161 3S -0.00010 0.00000 -0.00004 -0.00078 -0.00100 162 3PX -0.00014 -0.00001 -0.00005 -0.00048 -0.00116 163 3PY 0.00000 0.00000 -0.00001 0.00015 0.00019 164 3PZ -0.00010 -0.00001 0.00002 -0.00046 -0.00169 165 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00002 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 170 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00001 -0.00004 173 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00005 174 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 175 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00006 176 3S -0.00006 0.00000 0.00000 -0.00008 -0.00026 177 3PX 0.00014 0.00002 0.00001 0.00016 0.00044 178 3PY 0.00003 0.00000 0.00000 0.00001 -0.00001 179 3PZ -0.00013 0.00001 0.00000 -0.00013 -0.00058 180 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00002 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 -0.00008 -0.00006 189 2S 0.00018 -0.00001 0.00000 -0.00057 0.00109 76 77 78 79 80 76 3PY 0.08588 77 3PZ 0.00000 0.09075 78 4XX 0.00000 0.00000 0.00113 79 4YY 0.00000 0.00000 -0.00011 0.00121 80 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00708 0.02915 0.00063 -0.00087 0.00098 85 2S 0.00654 0.02842 0.00050 -0.00155 0.00172 86 11 H 1S 0.00785 0.00552 0.00438 -0.00079 -0.00093 87 2S 0.00644 0.00410 0.00431 -0.00102 -0.00230 88 12 C 1S -0.00147 0.00000 0.00000 -0.00011 0.00000 89 2S 0.02051 0.00000 -0.00023 0.00250 -0.00022 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.03407 0.00000 -0.00056 0.00251 -0.00064 92 2PZ 0.00001 -0.00123 0.00000 0.00000 0.00000 93 3S 0.01958 0.00000 -0.00079 0.00369 -0.00123 94 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 3PY 0.01442 -0.00001 -0.00111 0.00189 -0.00167 96 3PZ 0.00001 -0.00415 0.00000 0.00000 0.00000 97 4XX -0.00111 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00189 0.00000 -0.00001 -0.00002 -0.00001 99 4ZZ -0.00167 0.00000 0.00000 -0.00001 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00072 0.00000 0.00000 0.00000 103 13 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 104 2S -0.00870 -0.00031 -0.00005 -0.00015 0.00020 105 14 H 1S -0.00203 -0.00076 0.00000 0.00003 0.00000 106 2S -0.00760 -0.00159 0.00013 -0.00003 0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 -0.00004 0.00000 0.00000 0.00000 109 2PX -0.00007 -0.00029 0.00000 0.00000 0.00000 110 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00016 -0.00030 0.00000 0.00000 0.00000 112 3S -0.00011 -0.00171 0.00001 0.00000 0.00000 113 3PX -0.00060 -0.00095 0.00001 -0.00001 0.00000 114 3PY 0.00001 -0.00014 0.00000 0.00001 -0.00001 115 3PZ -0.00038 -0.00169 0.00002 -0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00008 0.00006 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 125 2S 0.00000 -0.00035 0.00000 0.00000 0.00000 126 2PX 0.00001 -0.00008 0.00000 0.00000 0.00000 127 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00002 -0.00038 0.00000 0.00000 0.00001 129 3S 0.00000 0.00096 0.00000 -0.00002 0.00004 130 3PX 0.00004 -0.00202 -0.00002 -0.00004 0.00017 131 3PY -0.00002 -0.00009 0.00000 0.00000 0.00000 132 3PZ 0.00005 0.00026 -0.00006 -0.00006 0.00016 133 4XX 0.00000 -0.00011 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00015 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 138 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 140 2S 0.00003 0.00049 0.00000 0.00000 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 146 3S -0.00001 0.00012 0.00000 0.00000 0.00000 147 3PX -0.00017 0.00008 0.00000 0.00000 0.00000 148 3PY -0.00002 0.00010 0.00000 0.00000 0.00000 149 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00001 0.00001 0.00000 0.00000 0.00000 158 2PX -0.00005 0.00028 0.00000 0.00000 0.00000 159 2PY -0.00002 -0.00002 0.00000 0.00000 0.00000 160 2PZ -0.00004 0.00019 0.00000 0.00000 0.00000 161 3S -0.00007 -0.00014 0.00000 0.00000 0.00000 162 3PX -0.00027 0.00167 0.00001 0.00000 -0.00001 163 3PY -0.00015 -0.00013 0.00000 0.00000 0.00000 164 3PZ -0.00024 0.00090 0.00000 0.00000 -0.00001 165 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 166 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 176 3S 0.00001 -0.00001 0.00000 0.00000 0.00000 177 3PX 0.00013 0.00005 0.00000 0.00000 0.00000 178 3PY -0.00001 0.00002 0.00000 0.00000 0.00000 179 3PZ 0.00006 -0.00007 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00002 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00010 0.00006 0.00001 0.00000 0.00000 81 82 83 84 85 81 4XY 0.00095 82 4XZ 0.00000 0.00130 83 4YZ 0.00000 0.00000 0.00091 84 10 H 1S 0.00086 0.00338 0.00098 0.21529 85 2S 0.00021 0.00078 0.00021 0.11393 0.15892 86 11 H 1S 0.00195 0.00105 0.00021 -0.00052 -0.00817 87 2S 0.00042 0.00029 0.00003 -0.00841 -0.02545 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00013 89 2S 0.00000 0.00000 0.00000 -0.00013 -0.00208 90 2PX 0.00114 0.00000 0.00000 -0.00008 -0.00121 91 2PY 0.00000 0.00000 0.00000 -0.00033 -0.00487 92 2PZ 0.00000 0.00000 0.00104 -0.00008 -0.00081 93 3S 0.00000 0.00000 0.00000 -0.00222 -0.00792 94 3PX 0.00074 0.00000 0.00000 -0.00055 -0.00243 95 3PY 0.00000 0.00000 0.00000 -0.00202 -0.00759 96 3PZ 0.00000 0.00000 0.00072 -0.00076 -0.00160 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00013 98 4YY 0.00000 0.00000 0.00000 0.00003 -0.00003 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 100 4XY -0.00016 0.00000 0.00000 0.00003 0.00017 101 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00003 102 4YZ 0.00000 0.00000 -0.00012 0.00003 0.00015 103 13 H 1S 0.00005 0.00000 0.00000 0.00000 0.00039 104 2S 0.00028 -0.00001 0.00002 0.00041 0.00361 105 14 H 1S 0.00003 0.00000 0.00003 -0.00005 -0.00202 106 2S 0.00017 -0.00003 0.00015 -0.00202 -0.00836 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00001 0.00001 0.00000 0.00012 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 115 3PZ 0.00000 0.00001 0.00001 0.00000 0.00015 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00001 126 2PX 0.00000 0.00001 0.00000 0.00000 0.00005 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00001 0.00000 0.00000 0.00007 129 3S 0.00000 0.00002 0.00000 0.00000 0.00004 130 3PX 0.00000 0.00009 0.00000 0.00004 0.00100 131 3PY 0.00000 0.00000 -0.00001 0.00000 0.00008 132 3PZ 0.00000 0.00014 0.00000 0.00002 0.00076 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00004 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00002 177 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 178 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00008 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.11186 0.16626 88 12 C 1S 0.00000 0.00009 2.05092 89 2S -0.00011 -0.00166 -0.01170 0.30682 90 2PX -0.00012 -0.00196 0.00000 0.00000 0.41186 91 2PY -0.00032 -0.00463 0.00000 0.00000 0.00000 92 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 93 3S -0.00122 -0.00091 -0.03425 0.22723 0.00000 94 3PX -0.00112 -0.00407 0.00000 0.00000 0.10595 95 3PY -0.00277 -0.00869 0.00000 0.00000 0.00000 96 3PZ -0.00020 -0.00032 0.00000 0.00000 0.00000 97 4XX 0.00000 -0.00005 -0.00141 0.00014 0.00000 98 4YY 0.00002 -0.00016 -0.00123 -0.00365 0.00000 99 4ZZ 0.00000 0.00020 -0.00129 -0.00250 0.00000 100 4XY 0.00005 0.00028 0.00000 0.00000 0.00000 101 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 103 13 H 1S -0.00003 -0.00165 -0.00170 0.02784 0.07933 104 2S -0.00165 -0.00907 -0.00043 0.00951 0.05033 105 14 H 1S 0.00000 0.00041 -0.00166 0.02733 0.04263 106 2S 0.00038 0.00361 -0.00064 0.00994 0.02848 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00002 0.00000 0.00000 -0.00001 109 2PX 0.00000 -0.00001 0.00000 -0.00001 -0.00001 110 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 -0.00002 -0.00002 112 3S 0.00000 0.00028 0.00001 -0.00002 -0.00003 113 3PX 0.00002 0.00011 0.00002 -0.00065 -0.00038 114 3PY -0.00004 0.00013 0.00000 -0.00002 -0.00001 115 3PZ 0.00001 0.00001 0.00004 -0.00040 -0.00034 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00005 0.00000 0.00002 0.00001 124 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 125 2S 0.00000 -0.00017 0.00000 0.00000 0.00000 126 2PX 0.00000 -0.00012 0.00000 0.00000 0.00000 127 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 128 2PZ -0.00001 -0.00126 0.00000 0.00000 0.00000 129 3S -0.00007 -0.00144 0.00000 -0.00017 0.00000 130 3PX -0.00022 -0.00105 0.00001 -0.00011 0.00007 131 3PY -0.00006 -0.00020 0.00000 -0.00002 -0.00009 132 3PZ -0.00067 -0.00524 0.00001 -0.00033 0.00003 133 4XX 0.00000 -0.00007 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00011 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 140 2S 0.00001 0.00048 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00001 0.00000 0.00000 0.00000 143 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 146 3S 0.00000 0.00016 0.00000 -0.00001 -0.00010 147 3PX 0.00000 -0.00013 0.00000 -0.00005 -0.00014 148 3PY 0.00000 0.00017 0.00000 0.00000 0.00000 149 3PZ 0.00000 -0.00008 0.00000 -0.00002 -0.00010 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 157 2S 0.00000 0.00014 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00058 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00128 0.00000 0.00000 0.00000 161 3S -0.00014 0.00092 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00352 0.00000 0.00001 0.00000 163 3PY 0.00000 0.00006 0.00000 0.00000 0.00000 164 3PZ -0.00002 0.00671 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 -0.00008 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00004 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 173 2PX 0.00000 -0.00018 0.00000 0.00000 0.00000 174 2PY 0.00000 -0.00006 0.00000 0.00000 0.00000 175 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 176 3S -0.00011 -0.00101 0.00000 -0.00002 -0.00006 177 3PX 0.00017 0.00046 0.00000 0.00002 0.00014 178 3PY 0.00009 0.00062 0.00000 0.00000 0.00003 179 3PZ -0.00022 0.00007 0.00000 -0.00001 -0.00013 180 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00004 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 187 2S 0.00001 0.00025 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 -0.00038 0.00000 0.00000 0.00000 189 2S 0.00030 -0.00171 0.00000 -0.00002 0.00018 91 92 93 94 95 91 2PY 0.38125 92 2PZ 0.00000 0.38896 93 3S 0.00000 0.00000 0.30206 94 3PX 0.00000 0.00000 0.00000 0.08586 95 3PY 0.09887 0.00000 0.00000 0.00000 0.08589 96 3PZ 0.00000 0.10248 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00022 0.00000 0.00000 98 4YY 0.00000 0.00000 -0.00323 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00010 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.01257 0.00669 0.03034 0.05116 0.00789 104 2S 0.00745 0.00401 -0.00479 0.04891 0.00648 105 14 H 1S 0.00969 0.04457 0.03402 0.02644 0.00711 106 2S 0.00582 0.02894 0.01333 0.02781 0.00657 107 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 108 2S 0.00000 -0.00001 -0.00015 -0.00016 0.00000 109 2PX 0.00000 -0.00003 -0.00017 -0.00018 0.00001 110 2PY 0.00000 0.00000 0.00000 -0.00001 0.00003 111 2PZ 0.00000 -0.00004 -0.00002 0.00018 0.00002 112 3S -0.00001 0.00044 0.00072 -0.00008 0.00000 113 3PX 0.00000 -0.00139 -0.00063 -0.00045 0.00004 114 3PY -0.00002 -0.00005 -0.00008 -0.00004 -0.00002 115 3PZ 0.00000 -0.00006 0.00101 -0.00008 0.00005 116 4XX 0.00000 0.00000 0.00004 0.00004 0.00000 117 4YY 0.00000 0.00000 -0.00002 -0.00001 0.00000 118 4ZZ 0.00000 0.00000 0.00001 -0.00003 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 122 16 H 1S 0.00000 0.00000 -0.00001 -0.00002 0.00000 123 2S 0.00000 0.00004 -0.00003 -0.00010 0.00003 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00007 0.00001 0.00001 126 2PX 0.00000 0.00000 -0.00023 0.00009 -0.00007 127 2PY 0.00000 0.00000 -0.00005 -0.00002 0.00001 128 2PZ 0.00000 0.00000 -0.00031 0.00010 -0.00016 129 3S -0.00002 -0.00038 -0.00190 0.00017 -0.00011 130 3PX -0.00012 -0.00016 -0.00154 0.00026 -0.00060 131 3PY 0.00002 -0.00014 -0.00028 -0.00044 0.00001 132 3PZ -0.00001 -0.00046 -0.00262 0.00062 -0.00038 133 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00014 -0.00002 0.00008 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 -0.00009 -0.00007 -0.00001 143 2PX 0.00000 0.00000 -0.00006 -0.00019 -0.00004 144 2PY 0.00000 0.00000 0.00002 0.00004 -0.00002 145 2PZ 0.00000 0.00000 -0.00006 -0.00031 -0.00004 146 3S 0.00000 -0.00004 -0.00078 -0.00100 -0.00007 147 3PX -0.00001 -0.00005 -0.00049 -0.00116 -0.00026 148 3PY 0.00000 -0.00001 0.00015 0.00019 -0.00015 149 3PZ -0.00001 0.00002 -0.00046 -0.00169 -0.00024 150 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 151 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00001 0.00002 0.00000 155 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00002 -0.00001 -0.00002 159 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 160 2PZ 0.00000 0.00000 0.00001 0.00002 -0.00001 161 3S 0.00000 0.00000 0.00006 -0.00005 -0.00001 162 3PX 0.00000 0.00001 0.00035 -0.00009 -0.00017 163 3PY 0.00000 0.00000 -0.00004 -0.00024 -0.00002 164 3PZ 0.00000 0.00000 0.00015 0.00012 -0.00007 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00001 -0.00004 0.00000 173 2PX 0.00000 0.00000 -0.00002 -0.00005 0.00000 174 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 175 2PZ 0.00000 0.00000 -0.00003 -0.00006 0.00001 176 3S 0.00000 0.00000 -0.00008 -0.00026 0.00001 177 3PX 0.00002 0.00001 0.00016 0.00044 0.00013 178 3PY 0.00000 0.00000 0.00001 -0.00001 -0.00001 179 3PZ 0.00001 0.00000 -0.00013 -0.00058 0.00006 180 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00002 0.00001 0.00001 188 23 H 1S 0.00000 0.00000 -0.00008 -0.00006 0.00000 189 2S -0.00001 0.00000 -0.00056 0.00109 -0.00010 96 97 98 99 100 96 3PZ 0.09072 97 4XX 0.00000 0.00113 98 4YY 0.00000 -0.00011 0.00121 99 4ZZ 0.00000 -0.00006 -0.00011 0.00105 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00096 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00546 0.00438 -0.00078 -0.00093 0.00196 104 2S 0.00406 0.00431 -0.00101 -0.00231 0.00042 105 14 H 1S 0.02917 0.00062 -0.00087 0.00099 0.00087 106 2S 0.02844 0.00050 -0.00155 0.00172 0.00021 107 15 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 108 2S -0.00034 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00037 0.00000 0.00000 0.00001 0.00000 112 3S 0.00097 0.00000 -0.00002 0.00004 0.00000 113 3PX -0.00200 -0.00002 -0.00004 0.00017 0.00000 114 3PY -0.00009 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00026 -0.00006 -0.00006 0.00016 0.00000 116 4XX -0.00011 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00015 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 123 2S 0.00049 0.00000 0.00000 -0.00001 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S -0.00004 0.00000 0.00000 0.00000 0.00000 126 2PX -0.00029 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ -0.00029 0.00000 0.00000 0.00000 0.00000 129 3S -0.00170 0.00001 0.00000 0.00000 0.00000 130 3PX -0.00095 0.00001 -0.00001 0.00000 0.00000 131 3PY -0.00014 0.00000 0.00001 -0.00001 0.00000 132 3PZ -0.00168 0.00002 -0.00001 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00006 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00001 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00028 0.00000 0.00000 0.00000 0.00000 144 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00019 0.00000 0.00000 0.00000 0.00000 146 3S -0.00013 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00167 0.00001 0.00000 -0.00001 0.00000 148 3PY -0.00013 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00089 0.00000 0.00000 -0.00001 0.00000 150 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00012 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00008 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00010 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00001 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00005 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 179 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00006 0.00001 0.00000 0.00000 0.00000 101 102 103 104 105 101 4XZ 0.00130 102 4YZ 0.00000 0.00091 103 13 H 1S 0.00104 0.00021 0.21593 104 2S 0.00029 0.00003 0.11187 0.16630 105 14 H 1S 0.00338 0.00098 -0.00052 -0.00841 0.21529 106 2S 0.00078 0.00021 -0.00818 -0.02547 0.11394 107 15 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00017 0.00000 109 2PX 0.00001 0.00000 0.00000 -0.00012 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00003 0.00000 111 2PZ 0.00001 0.00000 -0.00001 -0.00126 0.00000 112 3S 0.00001 0.00000 -0.00007 -0.00144 0.00000 113 3PX 0.00009 0.00000 -0.00022 -0.00106 0.00004 114 3PY 0.00000 -0.00001 -0.00006 -0.00020 0.00000 115 3PZ 0.00014 0.00000 -0.00067 -0.00527 0.00002 116 4XX 0.00000 0.00000 0.00000 -0.00007 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00011 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00003 0.00000 123 2S 0.00000 0.00000 0.00001 0.00048 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00004 0.00000 128 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 129 3S 0.00001 0.00001 0.00000 0.00028 0.00000 130 3PX 0.00000 0.00000 0.00002 0.00011 0.00000 131 3PY 0.00000 0.00000 -0.00004 0.00013 0.00000 132 3PZ 0.00001 0.00001 0.00001 0.00001 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 -0.00005 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 142 2S 0.00000 0.00000 0.00000 0.00014 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00058 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00128 0.00000 146 3S 0.00000 0.00000 -0.00014 0.00093 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00353 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00007 0.00000 149 3PZ 0.00000 0.00000 -0.00002 0.00671 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 -0.00008 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00005 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00004 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 161 3S 0.00000 0.00000 0.00000 0.00016 0.00000 162 3PX 0.00000 0.00000 0.00000 -0.00013 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00017 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00016 0.00000 173 2PX 0.00000 0.00000 0.00000 -0.00018 0.00000 174 2PY 0.00000 0.00000 0.00000 -0.00006 0.00000 175 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 176 3S 0.00000 0.00000 -0.00011 -0.00101 0.00000 177 3PX 0.00000 0.00000 0.00017 0.00046 0.00000 178 3PY 0.00000 0.00000 0.00009 0.00062 0.00000 179 3PZ 0.00000 0.00000 -0.00022 0.00006 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00004 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 182 4ZZ 0.00000 0.00000 0.00000 -0.00005 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00002 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 187 2S 0.00000 0.00000 0.00001 0.00025 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 -0.00038 0.00000 189 2S 0.00000 0.00000 0.00030 -0.00172 0.00000 106 107 108 109 110 106 2S 0.15894 107 15 C 1S 0.00000 2.05255 108 2S 0.00001 -0.01389 0.33290 109 2PX 0.00005 0.00000 0.00000 0.34624 110 2PY 0.00000 0.00000 0.00000 0.00000 0.43068 111 2PZ 0.00007 0.00000 0.00000 0.00000 0.00000 112 3S 0.00003 -0.03169 0.22126 0.00000 0.00000 113 3PX 0.00100 0.00000 0.00000 0.09508 0.00000 114 3PY 0.00008 0.00000 0.00000 0.00000 0.07003 115 3PZ 0.00075 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 117 4YY 0.00000 -0.00136 -0.00073 0.00000 0.00000 118 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 -0.00236 0.03823 0.00584 0.03848 123 2S -0.00006 -0.00192 0.02241 0.00248 0.02218 124 17 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 125 2S 0.00000 -0.00065 0.01384 0.00000 0.04296 126 2PX 0.00001 0.00000 0.00000 0.01640 0.00000 127 2PY 0.00000 -0.00287 0.04299 0.00000 0.10300 128 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00002 129 3S 0.00012 0.00011 0.00956 0.00000 0.03200 130 3PX 0.00003 0.00000 0.00000 0.02166 0.00000 131 3PY 0.00003 -0.00013 0.01041 0.00000 0.01886 132 3PZ 0.00015 0.00000 -0.00001 0.00000 0.00002 133 4XX 0.00000 0.00000 -0.00062 0.00000 -0.00167 134 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 135 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 136 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 140 2S 0.00000 0.00024 -0.00382 -0.00027 -0.00595 141 19 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 142 2S 0.00000 -0.00002 0.00105 0.00849 0.00172 143 2PX 0.00000 -0.00025 0.01219 0.01588 0.00664 144 2PY 0.00000 -0.00005 0.00219 0.00605 -0.00067 145 2PZ 0.00000 -0.00011 0.00478 0.01887 0.00319 146 3S 0.00004 0.00061 -0.00733 0.01468 -0.00372 147 3PX 0.00000 -0.00226 0.02342 0.01026 0.00758 148 3PY 0.00000 -0.00071 0.00628 0.00945 -0.00376 149 3PZ -0.00002 -0.00096 0.00741 0.01888 0.00400 150 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 151 4YY 0.00000 -0.00001 0.00013 0.00062 0.00000 152 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 153 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 154 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 155 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 -0.00003 -0.00003 -0.00007 158 2PX 0.00000 0.00000 -0.00005 0.00010 -0.00012 159 2PY 0.00000 0.00000 -0.00016 -0.00010 -0.00033 160 2PZ 0.00000 0.00000 0.00000 -0.00008 -0.00014 161 3S 0.00000 -0.00001 -0.00015 -0.00043 0.00138 162 3PX -0.00001 0.00004 -0.00104 0.00070 -0.00110 163 3PY 0.00000 0.00011 -0.00329 -0.00122 -0.00345 164 3PZ -0.00001 -0.00001 0.00014 -0.00131 -0.00197 165 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00005 166 4YY 0.00000 0.00000 -0.00003 -0.00001 -0.00005 167 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 168 4XY 0.00000 0.00000 0.00002 0.00002 0.00012 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 170 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00016 -0.00030 -0.00018 173 2PX 0.00000 0.00000 -0.00038 -0.00036 -0.00014 174 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 175 2PZ 0.00000 0.00000 -0.00024 -0.00062 -0.00016 176 3S 0.00002 0.00009 -0.00099 -0.00291 -0.00149 177 3PX -0.00002 0.00018 -0.00204 -0.00095 -0.00093 178 3PY -0.00001 0.00001 -0.00026 -0.00173 -0.00001 179 3PZ 0.00000 0.00012 -0.00154 -0.00361 -0.00101 180 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 181 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 182 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 183 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00017 0.00068 0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00008 0.00000 0.00009 -0.00002 -0.00002 111 112 113 114 115 111 2PZ 0.37886 112 3S 0.00000 0.30218 113 3PX 0.00000 0.00000 0.10753 114 3PY 0.00000 0.00000 0.00000 0.05314 115 3PZ 0.09299 0.00000 0.00000 0.00000 0.09331 116 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00003 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.05492 0.05283 0.00178 0.01250 0.02525 123 2S 0.03134 0.03772 -0.00038 0.01029 0.02356 124 17 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 125 2S 0.00001 0.00956 0.00000 0.01034 0.00001 126 2PX 0.00000 0.00000 0.02166 0.00000 0.00000 127 2PY -0.00002 0.03206 0.00000 0.01885 -0.00002 128 2PZ 0.01211 -0.00002 0.00000 0.00001 0.01874 129 3S 0.00002 -0.01174 0.00001 -0.00780 0.00003 130 3PX 0.00000 0.00000 0.02494 0.00000 0.00000 131 3PY -0.00001 -0.00768 0.00000 0.00238 -0.00002 132 3PZ 0.01872 -0.00003 0.00000 0.00002 0.02710 133 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 134 4YY 0.00000 0.00360 0.00000 0.00143 0.00000 135 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 136 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 139 18 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 140 2S -0.00030 -0.01562 -0.00006 -0.00811 0.00008 141 19 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 142 2S 0.00516 -0.01942 -0.00293 0.00273 -0.00508 143 2PX 0.01963 0.00360 0.00058 0.00088 0.00353 144 2PY 0.00302 0.00275 -0.00034 0.00415 0.00004 145 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00137 146 3S 0.00746 -0.06777 -0.00106 0.00117 -0.01271 147 3PX 0.02074 0.00144 -0.00163 0.00035 0.00186 148 3PY 0.00483 0.00728 -0.00035 0.01063 0.00018 149 3PZ -0.00208 0.01220 0.00728 0.00219 -0.00726 150 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 151 4YY 0.00029 0.00064 0.00000 -0.00021 0.00012 152 4ZZ -0.00046 0.00072 0.00113 0.00015 -0.00059 153 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 154 4XZ -0.00009 0.00037 0.00001 0.00003 0.00008 155 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 156 20 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 157 2S -0.00003 0.00175 -0.00001 0.00148 0.00019 158 2PX -0.00008 -0.00098 0.00024 0.00014 -0.00032 159 2PY -0.00004 -0.00391 0.00058 -0.00410 0.00089 160 2PZ 0.00003 0.00032 -0.00092 -0.00147 -0.00037 161 3S -0.00129 0.01002 0.00118 0.01200 -0.00279 162 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00173 163 3PY -0.00069 -0.01561 0.00191 -0.00969 0.00219 164 3PZ -0.00024 0.00200 -0.00341 -0.00489 -0.00288 165 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 166 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 167 4ZZ 0.00000 -0.00010 0.00004 -0.00014 -0.00003 168 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 171 21 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 172 2S -0.00012 -0.00090 -0.00168 -0.00102 0.00026 173 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 174 2PY -0.00029 0.00040 -0.00157 -0.00079 -0.00112 175 2PZ -0.00003 -0.00187 -0.00288 -0.00016 0.00021 176 3S -0.00045 0.00149 -0.00488 -0.00286 0.00277 177 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00117 178 3PY -0.00153 0.00071 -0.00140 -0.00036 -0.00109 179 3PZ 0.00036 -0.00045 -0.00620 -0.00134 0.00048 180 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 181 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 182 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 183 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 184 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 185 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 186 22 H 1S 0.00000 0.00006 0.00029 0.00000 0.00004 187 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 188 23 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 189 2S 0.00051 0.00239 -0.00041 -0.00053 0.00259 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00027 0.00124 118 4ZZ -0.00019 -0.00008 0.00166 119 4XY 0.00000 0.00000 0.00000 0.00146 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00146 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00145 -0.00033 0.00234 0.00042 0.00024 123 2S -0.00255 -0.00044 0.00314 0.00010 0.00003 124 17 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 125 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 127 2PY -0.00167 0.00314 -0.00128 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 130 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 131 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 134 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 135 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 140 2S 0.00023 -0.00026 0.00027 0.00001 0.00001 141 19 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 142 2S 0.00138 -0.00019 0.00007 0.00090 0.00157 143 2PX -0.00096 -0.00048 0.00157 0.00038 0.00288 144 2PY 0.00097 0.00017 0.00023 0.00025 0.00116 145 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 146 3S 0.00243 -0.00007 -0.00013 0.00096 0.00100 147 3PX -0.00195 -0.00142 0.00390 0.00001 0.00088 148 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 149 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 150 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 151 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 152 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 153 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 154 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 155 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 161 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 162 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 163 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 164 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 173 2PX 0.00005 -0.00002 0.00006 0.00004 0.00006 174 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 175 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 176 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 177 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 178 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 179 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 180 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 184 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 185 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00009 0.00001 0.00003 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 121 122 123 124 125 121 4YZ 0.00192 122 16 H 1S 0.00376 0.21548 123 2S 0.00063 0.10060 0.12393 124 17 C 1S 0.00000 0.00000 0.00024 2.05255 125 2S 0.00000 -0.00020 -0.00382 -0.01388 0.33286 126 2PX 0.00000 -0.00001 -0.00027 0.00000 0.00000 127 2PY 0.00000 -0.00045 -0.00595 0.00000 0.00000 128 2PZ 0.00234 0.00000 -0.00031 0.00000 0.00000 129 3S 0.00000 -0.00418 -0.01561 -0.03171 0.22139 130 3PX 0.00000 0.00003 -0.00006 0.00000 0.00000 131 3PY 0.00000 -0.00396 -0.00811 0.00000 0.00000 132 3PZ 0.00113 -0.00012 0.00007 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00023 -0.00093 -0.00929 134 4YY 0.00000 0.00001 -0.00027 -0.00136 -0.00071 135 4ZZ 0.00000 0.00000 0.00027 -0.00124 -0.00292 136 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 4YZ -0.00018 0.00004 0.00022 0.00000 0.00000 139 18 H 1S 0.00004 0.00000 -0.00015 -0.00236 0.03822 140 2S 0.00022 -0.00015 0.00011 -0.00192 0.02241 141 19 O 1S -0.00003 0.00000 0.00016 0.00000 0.00000 142 2S 0.00056 -0.00006 -0.00225 0.00000 -0.00003 143 2PX 0.00117 -0.00004 -0.00058 0.00000 -0.00005 144 2PY 0.00016 -0.00001 -0.00012 0.00000 -0.00016 145 2PZ -0.00003 -0.00014 -0.00325 0.00000 0.00000 146 3S 0.00085 -0.00308 -0.01370 -0.00001 -0.00015 147 3PX 0.00071 -0.00017 0.00033 0.00004 -0.00104 148 3PY 0.00045 -0.00010 -0.00030 0.00011 -0.00329 149 3PZ 0.00002 -0.00288 -0.01156 -0.00001 0.00015 150 4XX -0.00001 0.00003 0.00011 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00014 0.00000 -0.00003 152 4ZZ -0.00001 0.00008 0.00047 0.00000 0.00000 153 4XY -0.00003 0.00001 0.00002 0.00000 0.00002 154 4XZ 0.00000 0.00006 0.00007 0.00000 0.00000 155 4YZ 0.00000 0.00001 0.00003 0.00000 0.00002 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00006 157 2S 0.00000 0.00000 0.00003 -0.00002 0.00104 158 2PX 0.00001 0.00000 0.00010 -0.00024 0.01219 159 2PY 0.00001 0.00000 0.00014 -0.00005 0.00217 160 2PZ 0.00000 0.00000 -0.00001 -0.00011 0.00478 161 3S 0.00000 0.00001 0.00029 0.00061 -0.00735 162 3PX 0.00007 0.00002 0.00085 -0.00226 0.02341 163 3PY 0.00009 0.00003 0.00122 -0.00071 0.00623 164 3PZ -0.00001 0.00000 -0.00018 -0.00096 0.00743 165 4XX 0.00000 0.00000 0.00000 -0.00009 0.00127 166 4YY 0.00000 0.00000 0.00002 -0.00001 0.00012 167 4ZZ 0.00000 0.00000 -0.00001 -0.00001 0.00009 168 4XY 0.00000 0.00000 0.00000 -0.00008 0.00087 169 4XZ 0.00000 0.00000 0.00000 -0.00015 0.00131 170 4YZ 0.00000 0.00000 -0.00001 -0.00004 0.00036 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00000 0.00020 0.00000 -0.00016 173 2PX 0.00004 0.00000 0.00020 0.00000 -0.00038 174 2PY 0.00000 0.00000 0.00017 0.00000 -0.00003 175 2PZ 0.00002 0.00000 0.00029 0.00000 -0.00024 176 3S 0.00008 0.00014 0.00131 0.00009 -0.00098 177 3PX 0.00006 0.00015 0.00123 0.00018 -0.00204 178 3PY -0.00006 0.00018 0.00115 0.00001 -0.00026 179 3PZ 0.00004 0.00008 0.00057 0.00012 -0.00154 180 4XX 0.00000 0.00000 0.00001 0.00000 0.00004 181 4YY 0.00000 0.00000 0.00001 0.00000 -0.00002 182 4ZZ 0.00000 0.00000 -0.00003 0.00000 0.00001 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00008 0.00000 0.00017 188 23 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 189 2S 0.00001 -0.00001 -0.00038 0.00000 0.00009 126 127 128 129 130 126 2PX 0.34619 127 2PY 0.00000 0.43072 128 2PZ 0.00000 0.00000 0.37876 129 3S 0.00000 0.00000 0.00000 0.30259 130 3PX 0.09509 0.00000 0.00000 0.00000 0.10752 131 3PY 0.00000 0.07005 0.00000 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.09294 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 -0.00700 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 -0.00198 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00578 0.03860 0.05485 0.05282 0.00176 140 2S 0.00245 0.02225 0.03131 0.03770 -0.00039 141 19 O 1S 0.00000 0.00000 0.00000 -0.00011 0.00000 142 2S -0.00003 -0.00007 -0.00003 0.00175 -0.00001 143 2PX 0.00010 -0.00012 -0.00007 -0.00098 0.00024 144 2PY -0.00010 -0.00034 -0.00004 -0.00391 0.00057 145 2PZ -0.00008 -0.00014 0.00002 0.00032 -0.00091 146 3S -0.00043 0.00138 -0.00129 0.01002 0.00118 147 3PX 0.00070 -0.00111 -0.00130 -0.00459 -0.00122 148 3PY -0.00123 -0.00347 -0.00068 -0.01562 0.00189 149 3PZ -0.00130 -0.00195 -0.00025 0.00201 -0.00340 150 4XX -0.00001 -0.00005 0.00002 0.00008 -0.00011 151 4YY -0.00001 -0.00005 0.00001 -0.00056 -0.00001 152 4ZZ 0.00001 -0.00002 0.00000 -0.00011 0.00004 153 4XY 0.00002 0.00012 -0.00001 -0.00004 0.00001 154 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 155 4YZ 0.00002 0.00007 0.00000 0.00002 0.00002 156 20 O 1S -0.00048 -0.00006 -0.00028 0.00128 0.00011 157 2S 0.00849 0.00170 0.00516 -0.01941 -0.00292 158 2PX 0.01592 0.00658 0.01964 0.00361 0.00059 159 2PY 0.00600 -0.00067 0.00300 0.00273 -0.00034 160 2PZ 0.01887 0.00317 0.00254 0.00548 0.00691 161 3S 0.01469 -0.00371 0.00746 -0.06780 -0.00103 162 3PX 0.01031 0.00753 0.02078 0.00144 -0.00163 163 3PY 0.00939 -0.00374 0.00480 0.00723 -0.00035 164 3PZ 0.01890 0.00398 -0.00207 0.01221 0.00729 165 4XX -0.00098 0.00103 0.00161 0.00210 -0.00128 166 4YY 0.00061 0.00000 0.00028 0.00064 0.00000 167 4ZZ 0.00030 0.00043 -0.00046 0.00073 0.00114 168 4XY 0.00084 0.00020 0.00115 0.00019 0.00001 169 4XZ 0.00071 0.00034 -0.00008 0.00037 0.00001 170 4YZ 0.00123 0.00018 0.00005 0.00012 0.00021 171 21 C 1S 0.00000 0.00000 0.00000 0.00006 0.00014 172 2S -0.00030 -0.00018 -0.00012 -0.00089 -0.00168 173 2PX -0.00036 -0.00015 -0.00041 -0.00264 -0.00116 174 2PY -0.00032 0.00000 -0.00029 0.00040 -0.00158 175 2PZ -0.00061 -0.00016 -0.00003 -0.00187 -0.00287 176 3S -0.00291 -0.00150 -0.00044 0.00150 -0.00489 177 3PX -0.00095 -0.00094 -0.00124 -0.00468 -0.00074 178 3PY -0.00174 -0.00001 -0.00153 0.00071 -0.00142 179 3PZ -0.00360 -0.00101 0.00036 -0.00045 -0.00619 180 4XX 0.00011 -0.00001 0.00010 0.00003 0.00036 181 4YY -0.00006 0.00000 -0.00004 -0.00023 -0.00041 182 4ZZ 0.00007 -0.00001 0.00003 0.00025 0.00021 183 4XY 0.00000 0.00000 0.00004 0.00002 -0.00009 184 4XZ 0.00009 0.00000 0.00004 -0.00010 0.00005 185 4YZ 0.00004 0.00000 -0.00001 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00006 0.00030 187 2S 0.00068 0.00002 0.00003 -0.00032 0.00313 188 23 H 1S 0.00000 0.00000 0.00000 0.00021 0.00010 189 2S -0.00002 -0.00001 0.00051 0.00239 -0.00042 131 132 133 134 135 131 3PY 0.05312 132 3PZ 0.00000 0.09319 133 4XX 0.00000 0.00000 0.00284 134 4YY 0.00000 0.00000 -0.00027 0.00124 135 4ZZ 0.00000 0.00000 -0.00019 -0.00008 0.00166 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.01255 0.02524 -0.00145 -0.00033 0.00234 140 2S 0.01033 0.02356 -0.00256 -0.00043 0.00314 141 19 O 1S -0.00014 0.00000 0.00000 0.00000 0.00000 142 2S 0.00149 0.00019 0.00000 0.00000 0.00000 143 2PX 0.00014 -0.00032 0.00000 0.00001 0.00000 144 2PY -0.00411 0.00089 0.00000 0.00002 0.00000 145 2PZ -0.00146 -0.00037 0.00000 0.00000 0.00000 146 3S 0.01201 -0.00278 -0.00009 0.00013 0.00004 147 3PX 0.00131 -0.00172 -0.00002 0.00012 0.00008 148 3PY -0.00974 0.00219 -0.00010 0.00036 0.00002 149 3PZ -0.00486 -0.00290 0.00004 0.00004 -0.00004 150 4XX -0.00029 0.00020 0.00000 0.00000 0.00000 151 4YY -0.00055 0.00016 0.00000 0.00000 0.00000 152 4ZZ -0.00014 -0.00003 0.00000 0.00000 0.00000 153 4XY 0.00009 -0.00001 0.00000 0.00001 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00024 0.00040 -0.00006 0.00001 0.00000 157 2S 0.00272 -0.00507 0.00138 -0.00019 0.00007 158 2PX 0.00087 0.00354 -0.00096 -0.00048 0.00158 159 2PY 0.00416 0.00003 0.00096 0.00017 0.00023 160 2PZ 0.00110 -0.00136 0.00397 -0.00031 -0.00055 161 3S 0.00116 -0.01269 0.00244 -0.00008 -0.00012 162 3PX 0.00035 0.00189 -0.00195 -0.00143 0.00391 163 3PY 0.01064 0.00017 0.00146 -0.00054 0.00045 164 3PZ 0.00218 -0.00723 0.00628 -0.00099 -0.00197 165 4XX 0.00059 0.00141 -0.00007 -0.00001 0.00008 166 4YY -0.00021 0.00012 0.00010 -0.00004 0.00002 167 4ZZ 0.00015 -0.00059 -0.00001 0.00001 -0.00001 168 4XY 0.00021 0.00007 -0.00005 0.00001 0.00004 169 4XZ 0.00003 0.00008 0.00003 -0.00003 -0.00001 170 4YZ 0.00012 0.00001 0.00016 0.00000 -0.00003 171 21 C 1S 0.00007 0.00002 0.00000 0.00000 0.00000 172 2S -0.00102 0.00026 0.00001 -0.00001 0.00002 173 2PX -0.00013 -0.00122 0.00005 -0.00002 0.00005 174 2PY -0.00078 -0.00112 0.00000 0.00000 0.00003 175 2PZ -0.00017 0.00021 0.00004 -0.00002 0.00003 176 3S -0.00287 0.00277 -0.00004 -0.00010 0.00015 177 3PX -0.00046 -0.00116 -0.00001 -0.00015 0.00042 178 3PY -0.00035 -0.00109 -0.00017 0.00003 0.00009 179 3PZ -0.00134 0.00047 0.00044 -0.00013 -0.00008 180 4XX 0.00003 0.00020 -0.00001 0.00000 0.00001 181 4YY 0.00006 -0.00032 0.00000 0.00000 0.00000 182 4ZZ -0.00012 0.00017 0.00001 0.00000 -0.00001 183 4XY -0.00004 -0.00003 0.00000 0.00000 0.00001 184 4XZ 0.00002 0.00001 0.00001 0.00000 0.00000 185 4YZ -0.00005 -0.00004 0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00004 0.00000 0.00000 0.00000 187 2S 0.00032 -0.00041 -0.00009 0.00001 0.00003 188 23 H 1S -0.00008 0.00018 0.00000 0.00000 0.00000 189 2S -0.00054 0.00258 0.00009 0.00000 -0.00016 136 137 138 139 140 136 4XY 0.00146 137 4XZ 0.00000 0.00147 138 4YZ 0.00000 0.00000 0.00192 139 18 H 1S 0.00041 0.00023 0.00377 0.21550 140 2S 0.00010 0.00003 0.00064 0.10064 0.12401 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00003 143 2PX 0.00001 0.00000 0.00001 0.00000 0.00010 144 2PY 0.00001 0.00000 0.00001 0.00000 0.00014 145 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00001 146 3S 0.00003 -0.00003 0.00000 0.00001 0.00029 147 3PX 0.00007 0.00000 0.00007 0.00002 0.00085 148 3PY 0.00013 -0.00004 0.00009 0.00003 0.00122 149 3PZ 0.00004 0.00000 -0.00001 0.00000 -0.00019 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00000 0.00000 0.00002 152 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 156 20 O 1S -0.00005 -0.00008 -0.00003 0.00000 0.00016 157 2S 0.00089 0.00157 0.00055 -0.00006 -0.00225 158 2PX 0.00038 0.00289 0.00116 -0.00004 -0.00058 159 2PY 0.00025 0.00115 0.00017 -0.00001 -0.00012 160 2PZ 0.00124 0.00027 -0.00003 -0.00014 -0.00326 161 3S 0.00095 0.00101 0.00085 -0.00308 -0.01369 162 3PX 0.00001 0.00088 0.00070 -0.00017 0.00035 163 3PY 0.00071 0.00076 0.00045 -0.00010 -0.00031 164 3PZ 0.00073 -0.00001 0.00002 -0.00289 -0.01159 165 4XX 0.00004 0.00005 -0.00001 0.00003 0.00011 166 4YY 0.00002 0.00009 0.00001 0.00000 0.00015 167 4ZZ 0.00000 -0.00002 -0.00001 0.00008 0.00047 168 4XY 0.00000 0.00013 -0.00003 0.00001 0.00002 169 4XZ 0.00003 0.00005 0.00000 0.00006 0.00007 170 4YZ -0.00002 0.00001 0.00000 0.00001 0.00004 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00001 0.00002 0.00000 0.00020 173 2PX 0.00004 0.00006 0.00004 0.00000 0.00020 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00017 175 2PZ 0.00004 0.00005 0.00002 0.00000 0.00029 176 3S 0.00005 -0.00005 0.00008 0.00014 0.00131 177 3PX 0.00005 0.00006 0.00006 0.00015 0.00123 178 3PY -0.00007 -0.00006 -0.00006 0.00019 0.00115 179 3PZ 0.00002 -0.00001 0.00004 0.00008 0.00056 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00001 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 182 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 183 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00001 -0.00001 0.00000 0.00008 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 189 2S -0.00001 -0.00003 0.00001 -0.00001 -0.00038 141 142 143 144 145 141 19 O 1S 2.07557 142 2S -0.04159 0.50359 143 2PX 0.00000 0.00000 0.64792 144 2PY 0.00000 0.00000 0.00000 0.66572 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.71641 146 3S -0.04102 0.45245 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.20360 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.21186 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.23205 150 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 151 4YY -0.00042 -0.00456 0.00000 0.00000 0.00000 152 4ZZ -0.00047 -0.00299 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 -0.00001 0.00000 -0.00009 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00002 0.00039 0.00000 -0.00113 0.00000 162 3PX 0.00000 0.00000 0.00005 0.00000 0.00000 163 3PY 0.00002 -0.00063 0.00000 -0.00629 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00014 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00005 -0.00022 -0.00005 172 2S -0.00001 0.00022 0.00252 0.01255 0.00250 173 2PX -0.00012 0.00238 -0.00015 0.01062 0.00214 174 2PY -0.00042 0.00831 0.00934 0.02335 0.01091 175 2PZ -0.00012 0.00237 0.00234 0.01135 -0.00003 176 3S 0.00106 -0.01601 0.00166 0.00999 0.00124 177 3PX 0.00013 -0.00145 0.00017 0.00431 0.00177 178 3PY -0.00015 0.00067 0.00390 0.00084 0.00528 179 3PZ 0.00011 -0.00118 0.00263 0.00440 0.00253 180 4XX 0.00001 -0.00028 0.00005 0.00007 0.00032 181 4YY -0.00008 0.00198 0.00137 -0.00048 0.00163 182 4ZZ 0.00001 -0.00022 0.00030 0.00008 0.00002 183 4XY -0.00004 0.00093 -0.00007 0.00224 0.00136 184 4XZ -0.00001 0.00020 -0.00001 0.00100 -0.00001 185 4YZ -0.00005 0.00114 0.00132 0.00250 -0.00012 186 22 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 187 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 188 23 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 189 2S 0.00005 -0.00073 0.00089 -0.00090 -0.00756 146 147 148 149 150 146 3S 0.75616 147 3PX 0.00000 0.26576 148 3PY 0.00000 0.00000 0.26986 149 3PZ 0.00000 0.00000 0.00000 0.30839 150 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 151 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 152 4ZZ -0.00451 0.00000 0.00000 0.00000 0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00002 0.00000 0.00002 0.00000 0.00000 157 2S 0.00039 0.00000 -0.00063 0.00000 0.00000 158 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 159 2PY -0.00113 0.00000 -0.00629 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 161 3S 0.00661 0.00000 -0.00516 0.00001 -0.00002 162 3PX 0.00000 0.00052 0.00000 0.00000 0.00000 163 3PY -0.00515 0.00000 -0.02517 0.00000 -0.00006 164 3PZ -0.00001 0.00000 0.00000 0.00162 0.00000 165 4XX -0.00002 0.00000 -0.00006 0.00000 0.00000 166 4YY -0.00029 0.00000 0.00002 0.00000 0.00000 167 4ZZ 0.00002 0.00000 -0.00005 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00084 -0.00032 -0.00300 -0.00029 0.00000 172 2S -0.01440 0.00325 0.02929 0.00289 -0.00010 173 2PX 0.00278 -0.00392 0.01403 0.00124 -0.00008 174 2PY 0.00787 0.00863 0.01963 0.01199 -0.00038 175 2PZ 0.00308 0.00161 0.01547 -0.00396 -0.00003 176 3S -0.06226 0.00174 0.02198 -0.00041 0.00031 177 3PX -0.00434 0.00061 0.00668 0.00233 -0.00032 178 3PY -0.00311 0.00455 -0.00009 0.00761 -0.00014 179 3PZ -0.00504 0.00431 0.00682 0.00834 -0.00005 180 4XX -0.00146 -0.00114 0.00041 0.00138 0.00003 181 4YY 0.00616 0.00172 -0.00080 0.00233 -0.00010 182 4ZZ -0.00165 0.00132 0.00023 -0.00139 -0.00003 183 4XY 0.00069 0.00056 0.00092 0.00088 0.00000 184 4XZ 0.00008 0.00004 0.00064 0.00003 0.00000 185 4YZ 0.00088 0.00085 0.00103 0.00059 -0.00006 186 22 H 1S -0.00164 -0.00522 -0.00040 0.00076 0.00010 187 2S -0.00219 -0.02178 -0.00267 0.00434 0.00072 188 23 H 1S -0.00186 0.00063 -0.00064 -0.00614 -0.00001 189 2S -0.00585 0.00420 -0.00310 -0.03003 -0.00022 151 152 153 154 155 151 4YY 0.00294 152 4ZZ -0.00008 0.00079 153 4XY 0.00000 0.00000 0.00161 154 4XZ 0.00000 0.00000 0.00000 0.00045 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00029 0.00002 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 172 2S 0.00279 -0.00007 0.00071 0.00011 0.00088 173 2PX 0.00180 0.00002 0.00006 0.00003 0.00054 174 2PY 0.00190 -0.00017 0.00036 0.00010 0.00075 175 2PZ 0.00188 -0.00009 0.00043 0.00001 0.00002 176 3S 0.00289 0.00029 0.00025 0.00002 0.00030 177 3PX 0.00087 0.00001 0.00017 0.00007 0.00012 178 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 179 3PZ 0.00093 -0.00026 0.00013 0.00005 0.00021 180 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 181 4YY -0.00006 -0.00008 0.00009 -0.00005 0.00010 182 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 184 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 186 22 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 187 2S -0.00028 -0.00024 -0.00009 0.00002 0.00001 188 23 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 189 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 156 157 158 159 160 156 20 O 1S 2.07557 157 2S -0.04159 0.50358 158 2PX 0.00000 0.00000 0.64786 159 2PY 0.00000 0.00000 0.00000 0.66548 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.71669 161 3S -0.04102 0.45246 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.20359 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.21176 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.23221 165 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 166 4YY -0.00043 -0.00456 0.00000 0.00000 0.00000 167 4ZZ -0.00047 -0.00300 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00005 -0.00022 -0.00005 172 2S -0.00001 0.00022 0.00252 0.01258 0.00248 173 2PX -0.00012 0.00238 -0.00015 0.01064 0.00212 174 2PY -0.00042 0.00833 0.00935 0.02349 0.01087 175 2PZ -0.00012 0.00235 0.00232 0.01131 -0.00005 176 3S 0.00106 -0.01601 0.00166 0.01001 0.00123 177 3PX 0.00013 -0.00145 0.00018 0.00432 0.00176 178 3PY -0.00015 0.00067 0.00391 0.00086 0.00527 179 3PZ 0.00011 -0.00118 0.00262 0.00438 0.00256 180 4XX 0.00001 -0.00028 0.00005 0.00007 0.00031 181 4YY -0.00008 0.00199 0.00137 -0.00047 0.00163 182 4ZZ 0.00001 -0.00022 0.00029 0.00008 0.00003 183 4XY -0.00004 0.00093 -0.00007 0.00225 0.00135 184 4XZ -0.00001 0.00019 -0.00001 0.00099 -0.00001 185 4YZ -0.00005 0.00113 0.00131 0.00250 -0.00012 186 22 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 187 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 188 23 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 189 2S 0.00005 -0.00073 0.00089 -0.00091 -0.00755 161 162 163 164 165 161 3S 0.75617 162 3PX 0.00000 0.26574 163 3PY 0.00000 0.00000 0.26973 164 3PZ 0.00000 0.00000 0.00000 0.30868 165 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 166 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 167 4ZZ -0.00452 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00084 -0.00032 -0.00300 -0.00029 0.00000 172 2S -0.01440 0.00325 0.02935 0.00285 -0.00010 173 2PX 0.00278 -0.00392 0.01404 0.00122 -0.00008 174 2PY 0.00789 0.00864 0.01977 0.01194 -0.00038 175 2PZ 0.00306 0.00159 0.01540 -0.00395 -0.00003 176 3S -0.06227 0.00174 0.02202 -0.00042 0.00031 177 3PX -0.00434 0.00062 0.00669 0.00232 -0.00032 178 3PY -0.00313 0.00457 -0.00008 0.00758 -0.00014 179 3PZ -0.00502 0.00429 0.00679 0.00841 -0.00005 180 4XX -0.00147 -0.00113 0.00042 0.00137 0.00003 181 4YY 0.00618 0.00173 -0.00079 0.00233 -0.00010 182 4ZZ -0.00165 0.00131 0.00021 -0.00138 -0.00003 183 4XY 0.00069 0.00056 0.00093 0.00087 0.00000 184 4XZ 0.00007 0.00004 0.00063 0.00004 0.00000 185 4YZ 0.00087 0.00085 0.00103 0.00060 -0.00006 186 22 H 1S -0.00165 -0.00522 -0.00040 0.00076 0.00010 187 2S -0.00219 -0.02178 -0.00266 0.00432 0.00072 188 23 H 1S -0.00186 0.00063 -0.00065 -0.00614 -0.00001 189 2S -0.00584 0.00420 -0.00314 -0.03000 -0.00022 166 167 168 169 170 166 4YY 0.00294 167 4ZZ -0.00008 0.00079 168 4XY 0.00000 0.00000 0.00161 169 4XZ 0.00000 0.00000 0.00000 0.00045 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 171 21 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 172 2S 0.00280 -0.00007 0.00072 0.00011 0.00087 173 2PX 0.00181 0.00001 0.00006 0.00003 0.00054 174 2PY 0.00191 -0.00017 0.00037 0.00010 0.00074 175 2PZ 0.00188 -0.00009 0.00043 0.00002 0.00003 176 3S 0.00290 0.00029 0.00025 0.00002 0.00030 177 3PX 0.00088 0.00000 0.00017 0.00007 0.00012 178 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 179 3PZ 0.00092 -0.00026 0.00013 0.00005 0.00021 180 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 181 4YY -0.00005 -0.00008 0.00009 -0.00005 0.00010 182 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 184 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 186 22 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 187 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 188 23 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 189 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 171 172 173 174 175 171 21 C 1S 2.04980 172 2S -0.01427 0.34291 173 2PX 0.00000 0.00000 0.42800 174 2PY 0.00000 0.00000 0.00000 0.29269 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.42493 176 3S -0.02762 0.21128 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.08852 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.04043 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.08274 180 4XX -0.00141 0.00019 0.00000 0.00000 0.00000 181 4YY -0.00104 -0.00728 0.00000 0.00000 0.00000 182 4ZZ -0.00140 -0.00031 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00189 0.03334 0.09738 0.00000 0.00388 187 2S -0.00112 0.01681 0.05687 0.00000 0.00316 188 23 H 1S -0.00189 0.03298 0.00486 0.00000 0.09574 189 2S -0.00105 0.01599 0.00407 0.00000 0.05687 176 177 178 179 180 176 3S 0.23348 177 3PX 0.00000 0.06205 178 3PY 0.00000 0.00000 0.02606 179 3PZ 0.00000 0.00000 0.00000 0.06494 180 4XX 0.00151 0.00000 0.00000 0.00000 0.00335 181 4YY -0.00812 0.00000 0.00000 0.00000 -0.00041 182 4ZZ 0.00201 0.00000 0.00000 0.00000 -0.00055 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.03985 0.04871 0.00000 0.00027 0.00896 187 2S 0.02109 0.04009 0.00000 -0.00020 0.00902 188 23 H 1S 0.04348 0.00167 0.00000 0.04187 -0.00142 189 2S 0.03017 0.00183 0.00000 0.02578 -0.00569 181 182 183 184 185 181 4YY 0.00343 182 4ZZ -0.00046 0.00350 183 4XY 0.00000 0.00000 0.00248 184 4XZ 0.00000 0.00000 0.00000 0.00106 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00274 186 22 H 1S -0.00137 -0.00146 0.00000 0.00049 0.00000 187 2S -0.00240 -0.00536 0.00000 0.00008 0.00000 188 23 H 1S -0.00145 0.00894 0.00000 0.00061 0.00000 189 2S -0.00314 0.01031 0.00000 0.00010 0.00000 186 187 188 189 186 22 H 1S 0.22350 187 2S 0.11455 0.16577 188 23 H 1S -0.00073 -0.01186 0.22401 189 2S -0.01284 -0.04733 0.12137 0.19872 Gross orbital populations: 1 1 1 C 1S 1.99262 2 2S 0.70385 3 2PX 0.61232 4 2PY 0.72539 5 2PZ 0.68250 6 3S 0.59606 7 3PX 0.32780 8 3PY 0.24306 9 3PZ 0.25793 10 4XX -0.01516 11 4YY 0.01157 12 4ZZ -0.00535 13 4XY 0.00395 14 4XZ 0.00661 15 4YZ 0.00631 16 2 H 1S 0.53358 17 2S 0.34362 18 3 C 1S 1.99191 19 2S 0.70503 20 2PX 0.64890 21 2PY 0.74800 22 2PZ 0.68315 23 3S 0.50000 24 3PX 0.32207 25 3PY 0.20196 26 3PZ 0.30107 27 4XX -0.01177 28 4YY 0.00154 29 4ZZ -0.00526 30 4XY 0.00869 31 4XZ 0.00540 32 4YZ 0.00997 33 4 H 1S 0.53307 34 2S 0.35110 35 5 C 1S 1.99191 36 2S 0.70499 37 2PX 0.64897 38 2PY 0.74791 39 2PZ 0.68318 40 3S 0.50004 41 3PX 0.32191 42 3PY 0.20210 43 3PZ 0.30108 44 4XX -0.01176 45 4YY 0.00155 46 4ZZ -0.00529 47 4XY 0.00869 48 4XZ 0.00540 49 4YZ 0.00997 50 6 H 1S 0.53307 51 2S 0.35111 52 7 C 1S 1.99262 53 2S 0.70382 54 2PX 0.61237 55 2PY 0.72531 56 2PZ 0.68242 57 3S 0.59633 58 3PX 0.32758 59 3PY 0.24316 60 3PZ 0.25793 61 4XX -0.01514 62 4YY 0.01156 63 4ZZ -0.00535 64 4XY 0.00395 65 4XZ 0.00662 66 4YZ 0.00631 67 8 H 1S 0.53359 68 2S 0.34359 69 9 C 1S 1.99220 70 2S 0.68132 71 2PX 0.72501 72 2PY 0.68458 73 2PZ 0.69613 74 3S 0.58933 75 3PX 0.33283 76 3PY 0.27006 77 3PZ 0.28728 78 4XX 0.00505 79 4YY -0.00217 80 4ZZ -0.00062 81 4XY 0.00716 82 4XZ 0.00969 83 4YZ 0.00762 84 10 H 1S 0.52953 85 2S 0.32408 86 11 H 1S 0.53199 87 2S 0.32148 88 12 C 1S 1.99220 89 2S 0.68131 90 2PX 0.72497 91 2PY 0.68462 92 2PZ 0.69615 93 3S 0.58935 94 3PX 0.33284 95 3PY 0.27014 96 3PZ 0.28725 97 4XX 0.00504 98 4YY -0.00216 99 4ZZ -0.00062 100 4XY 0.00717 101 4XZ 0.00968 102 4YZ 0.00761 103 13 H 1S 0.53198 104 2S 0.32147 105 14 H 1S 0.52952 106 2S 0.32410 107 15 C 1S 1.99219 108 2S 0.70396 109 2PX 0.59320 110 2PY 0.75705 111 2PZ 0.65435 112 3S 0.49484 113 3PX 0.25387 114 3PY 0.17393 115 3PZ 0.26765 116 4XX -0.00743 117 4YY 0.00525 118 4ZZ -0.00002 119 4XY 0.01113 120 4XZ 0.01090 121 4YZ 0.01425 122 16 H 1S 0.52970 123 2S 0.30211 124 17 C 1S 1.99219 125 2S 0.70392 126 2PX 0.59314 127 2PY 0.75713 128 2PZ 0.65423 129 3S 0.49512 130 3PX 0.25387 131 3PY 0.17405 132 3PZ 0.26756 133 4XX -0.00742 134 4YY 0.00528 135 4ZZ -0.00003 136 4XY 0.01111 137 4XZ 0.01091 138 4YZ 0.01425 139 18 H 1S 0.52971 140 2S 0.30215 141 19 O 1S 1.99234 142 2S 0.89932 143 2PX 0.93698 144 2PY 0.96369 145 2PZ 1.01223 146 3S 1.00624 147 3PX 0.52120 148 3PY 0.55969 149 3PZ 0.56865 150 4XX 0.00128 151 4YY -0.00123 152 4ZZ -0.00483 153 4XY 0.00766 154 4XZ 0.00371 155 4YZ 0.00696 156 20 O 1S 1.99234 157 2S 0.89931 158 2PX 0.93691 159 2PY 0.96342 160 2PZ 1.01256 161 3S 1.00627 162 3PX 0.52119 163 3PY 0.55952 164 3PZ 0.56899 165 4XX 0.00129 166 4YY -0.00121 167 4ZZ -0.00485 168 4XY 0.00765 169 4XZ 0.00372 170 4YZ 0.00695 171 21 C 1S 1.99193 172 2S 0.70992 173 2PX 0.72996 174 2PY 0.53058 175 2PZ 0.72498 176 3S 0.45533 177 3PX 0.24758 178 3PY 0.09849 179 3PZ 0.23706 180 4XX 0.01406 181 4YY 0.00335 182 4ZZ 0.01373 183 4XY 0.01769 184 4XZ 0.00681 185 4YZ 0.01936 186 22 H 1S 0.54013 187 2S 0.30935 188 23 H 1S 0.54161 189 2S 0.31782 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.999115 0.361918 0.553608 -0.052125 -0.043975 0.006076 2 H 0.361918 0.613632 -0.042415 -0.007996 0.007378 -0.000145 3 C 0.553608 -0.042415 4.905878 0.367122 0.509930 -0.051736 4 H -0.052125 -0.007996 0.367122 0.624235 -0.051765 -0.007408 5 C -0.043975 0.007378 0.509930 -0.051765 4.906612 0.367140 6 H 0.006076 -0.000145 -0.051736 -0.007408 0.367140 0.624205 7 C -0.022709 0.000136 -0.043919 0.006078 0.553221 -0.052129 8 H 0.000138 -0.000004 0.007381 -0.000145 -0.042418 -0.007993 9 C -0.033031 0.005215 -0.031234 -0.000156 -0.023504 0.005697 10 H 0.002377 -0.000112 0.001692 -0.000001 -0.005874 -0.000050 11 H 0.001393 -0.000156 0.001072 0.000017 0.003498 -0.000199 12 C 0.374519 -0.051205 -0.023535 0.005699 -0.031227 -0.000155 13 H -0.033808 -0.000665 0.003488 -0.000199 0.001075 0.000017 14 H -0.039442 -0.000656 -0.005854 -0.000050 0.001684 -0.000001 15 C 0.109523 -0.008884 -0.016783 0.000633 -0.022865 -0.000075 16 H -0.018575 -0.000376 -0.004212 0.000297 0.002111 0.000020 17 C -0.006314 0.001095 -0.022806 -0.000073 -0.017014 0.000629 18 H 0.001042 -0.000033 0.002103 0.000020 -0.004218 0.000299 19 O -0.010785 0.000523 0.000576 -0.000014 0.000475 0.000001 20 O -0.000387 -0.000011 0.000473 0.000001 0.000584 -0.000014 21 C 0.000262 -0.000038 -0.000126 0.000000 -0.000127 0.000000 22 H -0.000074 0.000000 0.000006 0.000000 0.000006 0.000000 23 H 0.000712 0.000009 -0.000061 0.000000 -0.000062 0.000000 7 8 9 10 11 12 1 C -0.022709 0.000138 -0.033031 0.002377 0.001393 0.374519 2 H 0.000136 -0.000004 0.005215 -0.000112 -0.000156 -0.051205 3 C -0.043919 0.007381 -0.031234 0.001692 0.001072 -0.023535 4 H 0.006078 -0.000145 -0.000156 -0.000001 0.000017 0.005699 5 C 0.553221 -0.042418 -0.023504 -0.005874 0.003498 -0.031227 6 H -0.052129 -0.007993 0.005697 -0.000050 -0.000199 -0.000155 7 C 4.999429 0.361909 0.374441 -0.039431 -0.033814 -0.033017 8 H 0.361909 0.613637 -0.051193 -0.000657 -0.000667 0.005215 9 C 0.374441 -0.051193 5.060596 0.375813 0.352764 0.333673 10 H -0.039431 -0.000657 0.375813 0.602082 -0.042557 -0.034051 11 H -0.033814 -0.000667 0.352764 -0.042557 0.605913 -0.027678 12 C -0.033017 0.005215 0.333673 -0.034051 -0.027678 5.060538 13 H 0.001383 -0.000156 -0.027667 0.004407 -0.012409 0.352734 14 H 0.002390 -0.000112 -0.034071 -0.012448 0.004403 0.375834 15 C -0.006332 0.001104 -0.014442 0.000341 0.000554 -0.004073 16 H 0.001040 -0.000034 0.000286 0.000003 -0.000050 0.000456 17 C 0.109798 -0.008923 -0.004168 0.002067 -0.010482 -0.014395 18 H -0.018688 -0.000385 0.000467 -0.000059 0.000522 0.000285 19 O -0.000390 -0.000011 0.000324 -0.000028 0.000123 -0.004502 20 O -0.010808 0.000524 -0.004489 0.000029 0.013060 0.000317 21 C 0.000260 -0.000038 -0.000443 -0.000014 -0.000289 -0.000447 22 H -0.000074 0.000000 0.000065 -0.000002 0.000258 0.000065 23 H 0.000715 0.000009 0.000519 0.000088 -0.001797 0.000526 13 14 15 16 17 18 1 C -0.033808 -0.039442 0.109523 -0.018575 -0.006314 0.001042 2 H -0.000665 -0.000656 -0.008884 -0.000376 0.001095 -0.000033 3 C 0.003488 -0.005854 -0.016783 -0.004212 -0.022806 0.002103 4 H -0.000199 -0.000050 0.000633 0.000297 -0.000073 0.000020 5 C 0.001075 0.001684 -0.022865 0.002111 -0.017014 -0.004218 6 H 0.000017 -0.000001 -0.000075 0.000020 0.000629 0.000299 7 C 0.001383 0.002390 -0.006332 0.001040 0.109798 -0.018688 8 H -0.000156 -0.000112 0.001104 -0.000034 -0.008923 -0.000385 9 C -0.027667 -0.034071 -0.014442 0.000286 -0.004168 0.000467 10 H 0.004407 -0.012448 0.000341 0.000003 0.002067 -0.000059 11 H -0.012409 0.004403 0.000554 -0.000050 -0.010482 0.000522 12 C 0.352734 0.375834 -0.004073 0.000456 -0.014395 0.000285 13 H 0.605962 -0.042584 -0.010527 0.000522 0.000553 -0.000050 14 H -0.042584 0.602114 0.002061 -0.000059 0.000341 0.000003 15 C -0.010527 0.002061 4.923575 0.381023 0.490225 -0.042174 16 H 0.000522 -0.000059 0.381023 0.540619 -0.042184 -0.000191 17 C 0.000553 0.000341 0.490225 -0.042184 4.923849 0.381030 18 H -0.000050 0.000003 -0.042174 -0.000191 0.381030 0.540796 19 O 0.013092 0.000029 0.230711 -0.036727 -0.039174 0.002500 20 O 0.000124 -0.000028 -0.039168 0.002501 0.230573 -0.036741 21 C -0.000292 -0.000014 -0.058167 0.005651 -0.058185 0.005646 22 H 0.000259 -0.000002 0.003978 0.000081 0.003986 0.000082 23 H -0.001805 0.000088 0.004893 -0.000393 0.004880 -0.000394 19 20 21 22 23 1 C -0.010785 -0.000387 0.000262 -0.000074 0.000712 2 H 0.000523 -0.000011 -0.000038 0.000000 0.000009 3 C 0.000576 0.000473 -0.000126 0.000006 -0.000061 4 H -0.000014 0.000001 0.000000 0.000000 0.000000 5 C 0.000475 0.000584 -0.000127 0.000006 -0.000062 6 H 0.000001 -0.000014 0.000000 0.000000 0.000000 7 C -0.000390 -0.010808 0.000260 -0.000074 0.000715 8 H -0.000011 0.000524 -0.000038 0.000000 0.000009 9 C 0.000324 -0.004489 -0.000443 0.000065 0.000519 10 H -0.000028 0.000029 -0.000014 -0.000002 0.000088 11 H 0.000123 0.013060 -0.000289 0.000258 -0.001797 12 C -0.004502 0.000317 -0.000447 0.000065 0.000526 13 H 0.013092 0.000124 -0.000292 0.000259 -0.001805 14 H 0.000029 -0.000028 -0.000014 -0.000002 0.000088 15 C 0.230711 -0.039168 -0.058167 0.003978 0.004893 16 H -0.036727 0.002501 0.005651 0.000081 -0.000393 17 C -0.039174 0.230573 -0.058185 0.003986 0.004880 18 H 0.002500 -0.036741 0.005646 0.000082 -0.000394 19 O 8.190456 -0.042481 0.255597 -0.035478 -0.050921 20 O -0.042481 8.190683 0.255713 -0.035489 -0.050924 21 C 0.255597 0.255713 4.669036 0.366208 0.360636 22 H -0.035478 -0.035489 0.366208 0.618365 -0.072757 23 H -0.050921 -0.050924 0.360636 -0.072757 0.665465 Mulliken charges: 1 1 C -0.149457 2 H 0.122791 3 C -0.110649 4 H 0.115831 5 C -0.110665 6 H 0.115820 7 C -0.149489 8 H 0.122818 9 C -0.285460 10 H 0.146384 11 H 0.146522 12 C -0.285576 13 H 0.146546 14 H 0.146373 15 C 0.074870 16 H 0.168189 17 C 0.074689 18 H 0.168138 19 O -0.473896 20 O -0.474042 21 C 0.199170 22 H 0.150516 23 H 0.140575 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.026666 3 C 0.005182 5 C 0.005155 7 C -0.026671 9 C 0.007446 12 C 0.007343 15 C 0.243060 17 C 0.242827 19 O -0.473896 20 O -0.474042 21 C 0.490261 Electronic spatial extent (au): = 1462.9178 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2916 Y= -0.0010 Z= -0.2506 Tot= 0.3845 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0605 YY= -66.2577 ZZ= -61.0978 XY= 0.0030 XZ= -2.5911 YZ= -0.0042 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5885 YY= -1.7857 ZZ= 3.3742 XY= 0.0030 XZ= -2.5911 YZ= -0.0042 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -35.3387 YYY= 0.0096 ZZZ= -4.5874 XYY= 4.5856 XXY= -0.0150 XXZ= 2.3229 XZZ= -4.2934 YZZ= -0.0053 YYZ= -4.6296 XYZ= 0.0107 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.4048 YYYY= -454.0228 ZZZZ= -400.8081 XXXY= 0.0354 XXXZ= -25.2335 YYYX= -0.0023 YYYZ= -0.0030 ZZZX= 1.4149 ZZZY= 0.0218 XXYY= -270.3179 XXZZ= -230.4649 YYZZ= -137.0174 XXYZ= -0.0219 YYXZ= -2.4747 ZZXY= -0.0058 N-N= 6.505281472899D+02 E-N=-2.466024913865D+03 KE= 4.958566829445D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176877 29.026248 2 O -19.176787 29.026255 3 O -10.292299 15.888379 4 O -10.238598 15.880971 5 O -10.238016 15.892083 6 O -10.186446 15.888511 7 O -10.186399 15.886003 8 O -10.180367 15.882765 9 O -10.180191 15.889177 10 O -10.169362 15.876100 11 O -10.168858 15.885777 12 O -1.107165 2.296515 13 O -1.013194 2.785725 14 O -0.829083 1.400526 15 O -0.765909 1.721694 16 O -0.733692 1.473748 17 O -0.728675 1.513930 18 O -0.643759 1.895223 19 O -0.614529 1.756576 20 O -0.603985 1.457172 21 O -0.584674 1.408520 22 O -0.532371 1.336108 23 O -0.511526 1.178855 24 O -0.494177 0.996014 25 O -0.470195 1.352499 26 O -0.446716 1.573898 27 O -0.443552 1.142259 28 O -0.441059 1.574434 29 O -0.405579 1.357449 30 O -0.397902 1.212971 31 O -0.389632 1.719251 32 O -0.384145 1.292242 33 O -0.373273 1.574701 34 O -0.355256 2.367316 35 O -0.348811 1.413601 36 O -0.328582 1.796783 37 O -0.319426 1.469958 38 O -0.317077 1.391316 39 O -0.286256 1.368494 40 O -0.198002 1.279593 41 O -0.185595 1.798702 42 V -0.006984 1.479559 43 V 0.010187 1.673675 44 V 0.083775 0.939928 45 V 0.112320 0.984351 46 V 0.119129 1.770361 47 V 0.122481 1.842173 48 V 0.123163 1.000667 49 V 0.135171 1.073495 50 V 0.144248 1.535402 51 V 0.145258 1.041253 52 V 0.163937 1.653291 53 V 0.171447 1.388505 54 V 0.177645 1.367703 55 V 0.192701 1.270983 56 V 0.197763 2.353137 57 V 0.203003 1.219662 58 V 0.228839 1.314982 59 V 0.236117 1.143491 60 V 0.242706 1.412154 61 V 0.249121 1.439821 62 V 0.304393 1.683465 63 V 0.313626 1.479590 64 V 0.326620 1.752143 65 V 0.370134 2.525750 66 V 0.432160 1.929597 67 V 0.473976 1.814285 68 V 0.477967 1.842626 69 V 0.491398 1.615925 70 V 0.508288 2.036141 71 V 0.523166 2.095767 72 V 0.546524 2.522251 73 V 0.547876 1.756297 74 V 0.548671 2.108283 75 V 0.568900 2.371416 76 V 0.579350 2.171816 77 V 0.607436 2.323764 78 V 0.613358 1.950969 79 V 0.618232 1.942521 80 V 0.636312 2.358944 81 V 0.663094 2.521648 82 V 0.678634 2.531989 83 V 0.712837 2.399557 84 V 0.722933 2.418556 85 V 0.740946 2.512555 86 V 0.751907 2.579649 87 V 0.775355 2.174109 88 V 0.795758 2.393655 89 V 0.798768 2.614782 90 V 0.810675 2.533448 91 V 0.828476 2.500821 92 V 0.842038 2.285563 93 V 0.854433 2.766094 94 V 0.864512 2.706368 95 V 0.880610 2.597158 96 V 0.884458 2.490010 97 V 0.885201 2.709987 98 V 0.887091 2.868252 99 V 0.898058 2.577314 100 V 0.913815 2.700640 101 V 0.937171 2.656061 102 V 0.940290 2.589329 103 V 0.951221 2.714877 104 V 1.007942 2.256271 105 V 1.014401 2.335752 106 V 1.022976 2.836229 107 V 1.027211 2.465495 108 V 1.092061 3.076152 109 V 1.099188 2.654820 110 V 1.114150 2.822907 111 V 1.149195 2.615991 112 V 1.151824 2.999901 113 V 1.189413 2.470833 114 V 1.204057 2.548061 115 V 1.251291 2.394815 116 V 1.264416 2.522657 117 V 1.367265 2.620235 118 V 1.370425 2.851712 119 V 1.398330 2.557529 120 V 1.427130 2.655632 121 V 1.432157 2.569744 122 V 1.438581 2.643504 123 V 1.475731 2.604504 124 V 1.492051 2.727401 125 V 1.526430 2.731791 126 V 1.585295 2.729155 127 V 1.639977 2.848193 128 V 1.661067 2.867770 129 V 1.720428 2.847788 130 V 1.723418 2.955936 131 V 1.758449 2.890025 132 V 1.770892 3.084063 133 V 1.794195 3.089676 134 V 1.860003 3.080328 135 V 1.877763 3.223120 136 V 1.885333 3.369044 137 V 1.908418 3.243825 138 V 1.935590 3.247675 139 V 1.958248 3.419681 140 V 1.976508 3.549558 141 V 1.978366 3.700030 142 V 1.981028 3.550778 143 V 2.000550 3.502649 144 V 2.019375 3.666140 145 V 2.041553 3.521438 146 V 2.088882 3.490906 147 V 2.120240 3.689718 148 V 2.140796 3.517696 149 V 2.160271 3.640908 150 V 2.230076 3.505879 151 V 2.254873 3.549579 152 V 2.262047 3.557659 153 V 2.279830 3.600123 154 V 2.291952 3.680084 155 V 2.309558 3.817511 156 V 2.318535 3.601928 157 V 2.371177 3.779117 158 V 2.401507 3.844958 159 V 2.434366 3.875156 160 V 2.448093 3.771401 161 V 2.451441 3.854188 162 V 2.484073 3.927506 163 V 2.522290 3.909431 164 V 2.545396 4.007152 165 V 2.598894 4.362565 166 V 2.627397 4.427832 167 V 2.645172 4.262158 168 V 2.675697 4.223218 169 V 2.692957 4.304574 170 V 2.694420 4.368995 171 V 2.736156 4.291629 172 V 2.765951 4.303112 173 V 2.803868 4.577574 174 V 2.866858 4.485899 175 V 2.879924 4.651860 176 V 2.944564 4.768111 177 V 3.105786 4.916608 178 V 3.131183 4.838720 179 V 4.006252 10.862561 180 V 4.105732 10.794543 181 V 4.127668 10.147715 182 V 4.252014 10.394824 183 V 4.268097 10.250020 184 V 4.362046 10.479279 185 V 4.370187 10.258825 186 V 4.448554 10.340474 187 V 4.489353 10.367766 188 V 4.649641 10.705339 189 V 4.874497 11.552490 Total kinetic energy from orbitals= 4.958566829445D+02 1|1| IMPERIAL COLLEGE-CHWS-282|FTS|RB3LYP|6-31G(d)|C9H12O2|FHT14|08-Fe b-2018|0||# opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connectiv ity integral=grid=ultrafine pop=full gfprint||diene+dioxole_opt631Gd_o pt+freqPM6+631Gd||0,1|C,-1.1768213093,1.3647276459,0.1166264785|H,-1.0 745850532,2.4448695837,0.0222571219|C,-2.118578577,0.7036730578,-0.657 0454904|H,-2.6842671076,1.2440173316,-1.4136396614|C,-2.1182345651,-0. 7040823983,-0.6570298403|H,-2.6836394242,-1.2447603629,-1.4135776069|C ,-1.1754113778,-1.3643214162,0.116302881|H,-1.0730597696,-2.4445137209 ,0.0225362045|C,-0.7294216332,-0.7787163407,1.4406543858|H,-1.41934836 08,-1.1414947783,2.2152039337|H,0.2533460918,-1.1831037526,1.706802934 1|C,-0.7294378189,0.7794611321,1.4405352211|H,0.2536235707,1.183952875 5,1.7055500605|H,-1.4184381933,1.1423219832,2.2158980983|C,0.740107900 2,0.6943008735,-0.9984686713|H,0.4595386391,1.3444113326,-1.8103093374 |C,0.7394958926,-0.6949155217,-0.997921521|H,0.46015996,-1.3448014688, -1.8104445244|O,1.823214866,1.1477246576,-0.2494084207|O,1.8230500665, -1.1481473744,-0.2489129756|C,2.431745278,-0.000181357,0.3346732683|H, 3.5084043109,-0.0002414142,0.1192151729|H,2.2647476142,0.0001484326,1. 4205652884||Version=EM64W-G09RevD.01|State=1-A|HF=-500.4886689|RMSD=3. 439e-009|RMSF=1.413e-005|Dipole=0.1113119,0.000433,-0.1024393|Quadrupo le=-1.0463138,-1.3276294,2.3739432,0.0007999,2.0469195,-0.0001313|PG=C 01 [X(C9H12O2)]||@ GARBAGE IN, GARBAGE OUT Job cpu time: 0 days 0 hours 20 minutes 54.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Thu Feb 08 17:33:06 2018. Link1: Proceeding to internal job step number 2. -------------------------------------------------------------------- #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq -------------------------------------------------------------------- 1/5=1,10=4,11=1,29=7,30=1,38=1,40=1/1,3; 2/12=2,40=1/2; 3/5=1,6=6,7=1,11=2,14=-4,16=1,24=100,25=1,30=1,70=2,71=2,74=-5,75=-5,116=1,140=1/1,2,3; 4/5=101/1; 5/5=2,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=3,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/5=1,10=4,11=1,30=1/3; 99//99; Structure from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" ---------------------------------------- diene+dioxole_opt631Gd_opt+freqPM6+631Gd ---------------------------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,-1.1768213093,1.3647276459,0.1166264785 H,0,-1.0745850532,2.4448695837,0.0222571219 C,0,-2.118578577,0.7036730578,-0.6570454904 H,0,-2.6842671076,1.2440173316,-1.4136396614 C,0,-2.1182345651,-0.7040823983,-0.6570298403 H,0,-2.6836394242,-1.2447603629,-1.4135776069 C,0,-1.1754113778,-1.3643214162,0.116302881 H,0,-1.0730597696,-2.4445137209,0.0225362045 C,0,-0.7294216332,-0.7787163407,1.4406543858 H,0,-1.4193483608,-1.1414947783,2.2152039337 H,0,0.2533460918,-1.1831037526,1.7068029341 C,0,-0.7294378189,0.7794611321,1.4405352211 H,0,0.2536235707,1.1839528755,1.7055500605 H,0,-1.4184381933,1.1423219832,2.2158980983 C,0,0.7401079002,0.6943008735,-0.9984686713 H,0,0.4595386391,1.3444113326,-1.8103093374 C,0,0.7394958926,-0.6949155217,-0.997921521 H,0,0.46015996,-1.3448014688,-1.8104445244 O,0,1.823214866,1.1477246576,-0.2494084207 O,0,1.8230500665,-1.1481473744,-0.2489129756 C,0,2.431745278,-0.000181357,0.3346732683 H,0,3.5084043109,-0.0002414142,0.1192151729 H,0,2.2647476142,0.0001484326,1.4205652884 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0891 calculate D2E/DX2 analytically ! ! R2 R(1,3) 1.3865 calculate D2E/DX2 analytically ! ! R3 R(1,12) 1.5151 calculate D2E/DX2 analytically ! ! R4 R(1,15) 2.3168 calculate D2E/DX2 analytically ! ! R5 R(3,4) 1.0883 calculate D2E/DX2 analytically ! ! R6 R(3,5) 1.4078 calculate D2E/DX2 analytically ! ! R7 R(5,6) 1.0883 calculate D2E/DX2 analytically ! ! R8 R(5,7) 1.3867 calculate D2E/DX2 analytically ! ! R9 R(7,8) 1.0891 calculate D2E/DX2 analytically ! ! R10 R(7,9) 1.5152 calculate D2E/DX2 analytically ! ! R11 R(7,17) 2.3144 calculate D2E/DX2 analytically ! ! R12 R(9,10) 1.0989 calculate D2E/DX2 analytically ! ! R13 R(9,11) 1.0955 calculate D2E/DX2 analytically ! ! R14 R(9,12) 1.5582 calculate D2E/DX2 analytically ! ! R15 R(11,23) 2.3511 calculate D2E/DX2 analytically ! ! R16 R(12,13) 1.0956 calculate D2E/DX2 analytically ! ! R17 R(12,14) 1.0989 calculate D2E/DX2 analytically ! ! R18 R(13,23) 2.351 calculate D2E/DX2 analytically ! ! R19 R(15,16) 1.0772 calculate D2E/DX2 analytically ! ! R20 R(15,17) 1.3892 calculate D2E/DX2 analytically ! ! R21 R(15,19) 1.3928 calculate D2E/DX2 analytically ! ! R22 R(17,18) 1.0773 calculate D2E/DX2 analytically ! ! R23 R(17,20) 1.393 calculate D2E/DX2 analytically ! ! R24 R(19,21) 1.4245 calculate D2E/DX2 analytically ! ! R25 R(20,21) 1.4244 calculate D2E/DX2 analytically ! ! R26 R(21,22) 1.098 calculate D2E/DX2 analytically ! ! R27 R(21,23) 1.0987 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 119.2271 calculate D2E/DX2 analytically ! ! A2 A(2,1,12) 115.5393 calculate D2E/DX2 analytically ! ! A3 A(2,1,15) 99.6499 calculate D2E/DX2 analytically ! ! A4 A(3,1,12) 120.2637 calculate D2E/DX2 analytically ! ! A5 A(3,1,15) 98.9433 calculate D2E/DX2 analytically ! ! A6 A(12,1,15) 93.6965 calculate D2E/DX2 analytically ! ! A7 A(1,3,4) 120.2817 calculate D2E/DX2 analytically ! ! A8 A(1,3,5) 118.4633 calculate D2E/DX2 analytically ! ! A9 A(4,3,5) 119.7776 calculate D2E/DX2 analytically ! ! A10 A(3,5,6) 119.7805 calculate D2E/DX2 analytically ! ! A11 A(3,5,7) 118.4442 calculate D2E/DX2 analytically ! ! A12 A(6,5,7) 120.2901 calculate D2E/DX2 analytically ! ! A13 A(5,7,8) 119.2178 calculate D2E/DX2 analytically ! ! A14 A(5,7,9) 120.236 calculate D2E/DX2 analytically ! ! A15 A(5,7,17) 98.9952 calculate D2E/DX2 analytically ! ! A16 A(8,7,9) 115.5268 calculate D2E/DX2 analytically ! ! A17 A(8,7,17) 99.6522 calculate D2E/DX2 analytically ! ! A18 A(9,7,17) 93.7539 calculate D2E/DX2 analytically ! ! A19 A(7,9,10) 107.679 calculate D2E/DX2 analytically ! ! A20 A(7,9,11) 109.4954 calculate D2E/DX2 analytically ! ! A21 A(7,9,12) 112.7322 calculate D2E/DX2 analytically ! ! A22 A(10,9,11) 105.6715 calculate D2E/DX2 analytically ! ! A23 A(10,9,12) 109.2799 calculate D2E/DX2 analytically ! ! A24 A(11,9,12) 111.6633 calculate D2E/DX2 analytically ! ! A25 A(9,11,23) 123.5113 calculate D2E/DX2 analytically ! ! A26 A(1,12,9) 112.7287 calculate D2E/DX2 analytically ! ! A27 A(1,12,13) 109.4948 calculate D2E/DX2 analytically ! ! A28 A(1,12,14) 107.6894 calculate D2E/DX2 analytically ! ! A29 A(9,12,13) 111.6651 calculate D2E/DX2 analytically ! ! A30 A(9,12,14) 109.2783 calculate D2E/DX2 analytically ! ! A31 A(13,12,14) 105.6651 calculate D2E/DX2 analytically ! ! A32 A(12,13,23) 123.5289 calculate D2E/DX2 analytically ! ! A33 A(1,15,16) 88.4294 calculate D2E/DX2 analytically ! ! A34 A(1,15,17) 106.7875 calculate D2E/DX2 analytically ! ! A35 A(1,15,19) 106.8806 calculate D2E/DX2 analytically ! ! A36 A(16,15,17) 127.1338 calculate D2E/DX2 analytically ! ! A37 A(16,15,19) 114.2922 calculate D2E/DX2 analytically ! ! A38 A(17,15,19) 109.0072 calculate D2E/DX2 analytically ! ! A39 A(7,17,15) 106.8453 calculate D2E/DX2 analytically ! ! A40 A(7,17,18) 88.5152 calculate D2E/DX2 analytically ! ! A41 A(7,17,20) 106.8947 calculate D2E/DX2 analytically ! ! A42 A(15,17,18) 127.0902 calculate D2E/DX2 analytically ! ! A43 A(15,17,20) 108.9793 calculate D2E/DX2 analytically ! ! A44 A(18,17,20) 114.2644 calculate D2E/DX2 analytically ! ! A45 A(15,19,21) 106.8814 calculate D2E/DX2 analytically ! ! A46 A(17,20,21) 106.8865 calculate D2E/DX2 analytically ! ! A47 A(19,21,20) 107.3918 calculate D2E/DX2 analytically ! ! A48 A(19,21,22) 109.7839 calculate D2E/DX2 analytically ! ! A49 A(19,21,23) 109.8824 calculate D2E/DX2 analytically ! ! A50 A(20,21,22) 109.7908 calculate D2E/DX2 analytically ! ! A51 A(20,21,23) 109.8911 calculate D2E/DX2 analytically ! ! A52 A(22,21,23) 110.0593 calculate D2E/DX2 analytically ! ! A53 A(11,23,13) 60.4506 calculate D2E/DX2 analytically ! ! A54 A(11,23,21) 104.4904 calculate D2E/DX2 analytically ! ! A55 A(13,23,21) 104.4768 calculate D2E/DX2 analytically ! ! D1 D(2,1,3,4) 5.547 calculate D2E/DX2 analytically ! ! D2 D(2,1,3,5) 171.6528 calculate D2E/DX2 analytically ! ! D3 D(12,1,3,4) 159.5019 calculate D2E/DX2 analytically ! ! D4 D(12,1,3,5) -34.3923 calculate D2E/DX2 analytically ! ! D5 D(15,1,3,4) -100.862 calculate D2E/DX2 analytically ! ! D6 D(15,1,3,5) 65.2438 calculate D2E/DX2 analytically ! ! D7 D(2,1,12,9) -172.5712 calculate D2E/DX2 analytically ! ! D8 D(2,1,12,13) -47.6183 calculate D2E/DX2 analytically ! ! D9 D(2,1,12,14) 66.8103 calculate D2E/DX2 analytically ! ! D10 D(3,1,12,9) 32.559 calculate D2E/DX2 analytically ! ! D11 D(3,1,12,13) 157.5118 calculate D2E/DX2 analytically ! ! D12 D(3,1,12,14) -88.0596 calculate D2E/DX2 analytically ! ! D13 D(15,1,12,9) -70.0361 calculate D2E/DX2 analytically ! ! D14 D(15,1,12,13) 54.9167 calculate D2E/DX2 analytically ! ! D15 D(15,1,12,14) 169.3453 calculate D2E/DX2 analytically ! ! D16 D(2,1,15,16) -49.8971 calculate D2E/DX2 analytically ! ! D17 D(2,1,15,17) -178.3971 calculate D2E/DX2 analytically ! ! D18 D(2,1,15,19) 65.0484 calculate D2E/DX2 analytically ! ! D19 D(3,1,15,16) 71.9824 calculate D2E/DX2 analytically ! ! D20 D(3,1,15,17) -56.5177 calculate D2E/DX2 analytically ! ! D21 D(3,1,15,19) -173.0721 calculate D2E/DX2 analytically ! ! D22 D(12,1,15,16) -166.5904 calculate D2E/DX2 analytically ! ! D23 D(12,1,15,17) 64.9095 calculate D2E/DX2 analytically ! ! D24 D(12,1,15,19) -51.6449 calculate D2E/DX2 analytically ! ! D25 D(1,3,5,6) -166.178 calculate D2E/DX2 analytically ! ! D26 D(1,3,5,7) -0.035 calculate D2E/DX2 analytically ! ! D27 D(4,3,5,6) -0.0003 calculate D2E/DX2 analytically ! ! D28 D(4,3,5,7) 166.1427 calculate D2E/DX2 analytically ! ! D29 D(3,5,7,8) -171.6976 calculate D2E/DX2 analytically ! ! D30 D(3,5,7,9) 34.4729 calculate D2E/DX2 analytically ! ! D31 D(3,5,7,17) -65.2561 calculate D2E/DX2 analytically ! ! D32 D(6,5,7,8) -5.6275 calculate D2E/DX2 analytically ! ! D33 D(6,5,7,9) -159.457 calculate D2E/DX2 analytically ! ! D34 D(6,5,7,17) 100.814 calculate D2E/DX2 analytically ! ! D35 D(5,7,9,10) 87.9441 calculate D2E/DX2 analytically ! ! D36 D(5,7,9,11) -157.625 calculate D2E/DX2 analytically ! ! D37 D(5,7,9,12) -32.6716 calculate D2E/DX2 analytically ! ! D38 D(8,7,9,10) -66.8058 calculate D2E/DX2 analytically ! ! D39 D(8,7,9,11) 47.6252 calculate D2E/DX2 analytically ! ! D40 D(8,7,9,12) 172.5786 calculate D2E/DX2 analytically ! ! D41 D(17,7,9,10) -169.3702 calculate D2E/DX2 analytically ! ! D42 D(17,7,9,11) -54.9393 calculate D2E/DX2 analytically ! ! D43 D(17,7,9,12) 70.0141 calculate D2E/DX2 analytically ! ! D44 D(5,7,17,15) 56.5289 calculate D2E/DX2 analytically ! ! D45 D(5,7,17,18) -71.968 calculate D2E/DX2 analytically ! ! D46 D(5,7,17,20) 173.0864 calculate D2E/DX2 analytically ! ! D47 D(8,7,17,15) 178.4147 calculate D2E/DX2 analytically ! ! D48 D(8,7,17,18) 49.9178 calculate D2E/DX2 analytically ! ! D49 D(8,7,17,20) -65.0278 calculate D2E/DX2 analytically ! ! D50 D(9,7,17,15) -64.8917 calculate D2E/DX2 analytically ! ! D51 D(9,7,17,18) 166.6114 calculate D2E/DX2 analytically ! ! D52 D(9,7,17,20) 51.6659 calculate D2E/DX2 analytically ! ! D53 D(7,9,11,23) 101.4231 calculate D2E/DX2 analytically ! ! D54 D(10,9,11,23) -142.8607 calculate D2E/DX2 analytically ! ! D55 D(12,9,11,23) -24.1472 calculate D2E/DX2 analytically ! ! D56 D(7,9,12,1) 0.0606 calculate D2E/DX2 analytically ! ! D57 D(7,9,12,13) -123.7 calculate D2E/DX2 analytically ! ! D58 D(7,9,12,14) 119.7652 calculate D2E/DX2 analytically ! ! D59 D(10,9,12,1) -119.6341 calculate D2E/DX2 analytically ! ! D60 D(10,9,12,13) 116.6053 calculate D2E/DX2 analytically ! ! D61 D(10,9,12,14) 0.0704 calculate D2E/DX2 analytically ! ! D62 D(11,9,12,1) 123.8233 calculate D2E/DX2 analytically ! ! D63 D(11,9,12,13) 0.0627 calculate D2E/DX2 analytically ! ! D64 D(11,9,12,14) -116.4722 calculate D2E/DX2 analytically ! ! D65 D(9,11,23,13) 26.0733 calculate D2E/DX2 analytically ! ! D66 D(9,11,23,21) -72.5707 calculate D2E/DX2 analytically ! ! D67 D(1,12,13,23) -101.5141 calculate D2E/DX2 analytically ! ! D68 D(9,12,13,23) 24.0526 calculate D2E/DX2 analytically ! ! D69 D(14,12,13,23) 142.7613 calculate D2E/DX2 analytically ! ! D70 D(12,13,23,11) -26.0315 calculate D2E/DX2 analytically ! ! D71 D(12,13,23,21) 72.6356 calculate D2E/DX2 analytically ! ! D72 D(1,15,17,7) -0.0027 calculate D2E/DX2 analytically ! ! D73 D(1,15,17,18) 101.2402 calculate D2E/DX2 analytically ! ! D74 D(1,15,17,20) -115.1681 calculate D2E/DX2 analytically ! ! D75 D(16,15,17,7) -101.1031 calculate D2E/DX2 analytically ! ! D76 D(16,15,17,18) 0.1398 calculate D2E/DX2 analytically ! ! D77 D(16,15,17,20) 143.7315 calculate D2E/DX2 analytically ! ! D78 D(19,15,17,7) 115.1298 calculate D2E/DX2 analytically ! ! D79 D(19,15,17,18) -143.6273 calculate D2E/DX2 analytically ! ! D80 D(19,15,17,20) -0.0356 calculate D2E/DX2 analytically ! ! D81 D(1,15,19,21) 109.4549 calculate D2E/DX2 analytically ! ! D82 D(16,15,19,21) -154.4868 calculate D2E/DX2 analytically ! ! D83 D(17,15,19,21) -5.6175 calculate D2E/DX2 analytically ! ! D84 D(7,17,20,21) -109.4591 calculate D2E/DX2 analytically ! ! D85 D(15,17,20,21) 5.6743 calculate D2E/DX2 analytically ! ! D86 D(18,17,20,21) 154.3867 calculate D2E/DX2 analytically ! ! D87 D(15,19,21,20) 9.0287 calculate D2E/DX2 analytically ! ! D88 D(15,19,21,22) 128.3517 calculate D2E/DX2 analytically ! ! D89 D(15,19,21,23) -110.4703 calculate D2E/DX2 analytically ! ! D90 D(17,20,21,19) -9.0505 calculate D2E/DX2 analytically ! ! D91 D(17,20,21,22) -128.369 calculate D2E/DX2 analytically ! ! D92 D(17,20,21,23) 110.443 calculate D2E/DX2 analytically ! ! D93 D(19,21,23,11) 90.3091 calculate D2E/DX2 analytically ! ! D94 D(19,21,23,13) 27.6546 calculate D2E/DX2 analytically ! ! D95 D(20,21,23,11) -27.6517 calculate D2E/DX2 analytically ! ! D96 D(20,21,23,13) -90.3062 calculate D2E/DX2 analytically ! ! D97 D(22,21,23,11) -148.6784 calculate D2E/DX2 analytically ! ! D98 D(22,21,23,13) 148.6671 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. Search for a saddle point of order 1. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.176821 1.364728 0.116626 2 1 0 -1.074585 2.444870 0.022257 3 6 0 -2.118579 0.703673 -0.657045 4 1 0 -2.684267 1.244017 -1.413640 5 6 0 -2.118235 -0.704082 -0.657030 6 1 0 -2.683639 -1.244760 -1.413578 7 6 0 -1.175411 -1.364321 0.116303 8 1 0 -1.073060 -2.444514 0.022536 9 6 0 -0.729422 -0.778716 1.440654 10 1 0 -1.419348 -1.141495 2.215204 11 1 0 0.253346 -1.183104 1.706803 12 6 0 -0.729438 0.779461 1.440535 13 1 0 0.253624 1.183953 1.705550 14 1 0 -1.418438 1.142322 2.215898 15 6 0 0.740108 0.694301 -0.998469 16 1 0 0.459539 1.344411 -1.810309 17 6 0 0.739496 -0.694916 -0.997922 18 1 0 0.460160 -1.344801 -1.810445 19 8 0 1.823215 1.147725 -0.249408 20 8 0 1.823050 -1.148147 -0.248913 21 6 0 2.431745 -0.000181 0.334673 22 1 0 3.508404 -0.000241 0.119215 23 1 0 2.264748 0.000148 1.420565 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089066 0.000000 3 C 1.386531 2.140827 0.000000 4 H 2.151436 2.468790 1.088306 0.000000 5 C 2.400995 3.386227 1.407755 2.165166 0.000000 6 H 3.379564 4.273646 2.165185 2.488778 1.088292 7 C 2.729049 3.811686 2.400882 3.379468 1.386678 8 H 3.811816 4.889384 3.386151 4.273623 2.140865 9 C 2.558822 3.538714 2.920202 4.007476 2.516873 10 H 3.277804 4.217806 3.484736 4.523184 2.988227 11 H 3.326482 4.214651 3.843661 4.925206 3.382538 12 C 1.515065 2.214548 2.517002 3.490485 2.920520 13 H 2.145584 2.487473 3.382288 4.285342 3.843458 14 H 2.124802 2.574282 2.989384 3.845284 3.486064 15 C 2.316792 2.720199 2.879018 3.492979 3.200340 16 H 2.528076 2.631130 2.896075 3.170322 3.488738 17 C 3.025991 3.766949 3.200131 3.956569 2.878005 18 H 3.706057 4.480608 3.489480 4.092293 2.896378 19 O 3.030064 3.186476 3.987617 4.656404 4.373828 20 O 3.930317 4.623807 4.374042 5.234018 3.987164 21 C 3.864230 4.286051 4.710028 5.547811 4.709699 22 H 4.880009 5.195359 5.723724 6.499769 5.723374 23 H 3.925141 4.368417 4.901526 5.837180 4.901314 6 7 8 9 10 6 H 0.000000 7 C 2.151646 0.000000 8 H 2.468967 1.089075 0.000000 9 C 3.490387 1.515172 2.214504 0.000000 10 H 3.844106 2.124745 2.574017 1.098879 0.000000 11 H 4.285611 2.145665 2.487421 1.095535 1.748745 12 C 4.007785 2.558962 3.538758 1.558177 2.183154 13 H 4.924949 3.325891 4.214071 2.211022 2.909689 14 H 4.524598 3.278814 4.218473 2.183148 2.283817 15 C 3.956554 3.024873 3.765924 3.206028 4.284984 16 H 4.091549 3.704339 4.479301 4.060796 5.090649 17 C 3.491841 2.314405 2.718048 2.848051 3.896693 18 H 3.170329 2.527416 2.630579 3.507877 4.447441 19 O 5.233642 3.928852 4.622395 3.617104 4.672158 20 O 4.655752 3.028347 3.184604 3.083217 4.072476 21 C 5.547298 3.862660 4.284373 3.438355 4.435078 22 H 6.499207 4.878407 5.193614 4.506816 5.475251 23 H 5.836840 3.923974 4.367129 3.093878 3.937939 11 12 13 14 15 11 H 0.000000 12 C 2.210978 0.000000 13 H 2.367057 1.095562 0.000000 14 H 2.908891 1.098898 1.748708 0.000000 15 C 3.328675 2.848782 2.790725 3.897717 0.000000 16 H 4.336004 3.507253 3.525538 4.447244 1.077241 17 C 2.791094 3.205873 3.327909 4.284945 1.389217 18 H 3.527031 4.061589 4.335836 5.091792 2.212603 19 O 3.424034 3.083434 2.507348 4.072601 1.392769 20 O 2.507991 3.617334 3.423699 4.672129 2.264777 21 C 2.833279 3.438583 2.832965 4.434888 2.263009 22 H 3.809856 4.507009 3.809511 5.474971 3.065138 23 H 2.351118 3.094006 2.351006 3.937381 2.942465 16 17 18 19 20 16 H 0.000000 17 C 2.212963 0.000000 18 H 2.689213 1.077299 0.000000 19 O 2.081997 2.264959 3.241518 0.000000 20 O 3.241909 1.393026 2.081952 2.295872 0.000000 21 C 3.209124 2.263222 3.208844 1.424482 1.424398 22 H 3.850550 3.065521 3.850094 2.072094 2.072107 23 H 3.937559 2.942547 3.937620 2.073812 2.073846 21 22 23 21 C 0.000000 22 H 1.098006 0.000000 23 H 1.098658 1.800054 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.195046 -1.364573 0.077337 2 1 0 1.089895 -2.444669 -0.014312 3 6 0 2.109912 -0.702733 -0.727309 4 1 0 2.649754 -1.242393 -1.503034 5 6 0 2.109277 0.705021 -0.726242 6 1 0 2.648613 1.246384 -1.501112 7 6 0 1.193059 1.364476 0.079077 8 1 0 1.087365 2.444712 -0.010370 9 6 0 0.792317 0.777799 1.417346 10 1 0 1.508015 1.140171 2.168344 11 1 0 -0.180953 1.181763 1.716937 12 6 0 0.792653 -0.780378 1.416075 13 1 0 -0.180782 -1.185292 1.713946 14 1 0 1.507602 -1.143646 2.167381 15 6 0 -0.758702 -0.693776 -0.971676 16 1 0 -0.505665 -1.343228 -1.793036 17 6 0 -0.758360 0.695440 -0.970123 18 1 0 -0.506849 1.345984 -1.791164 19 8 0 -1.815715 -1.147999 -0.186684 20 8 0 -1.816010 1.147872 -0.184499 21 6 0 -2.404345 -0.000662 0.418527 22 1 0 -3.487686 -0.000695 0.239671 23 1 0 -2.200652 -0.001747 1.498137 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100707 1.0127048 0.9486457 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 2.258308998060 -2.578668362307 0.146146097666 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C1 Shell 2 SP 3 bf 2 - 5 2.258308998060 -2.578668362307 0.146146097666 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C1 Shell 3 SP 1 bf 6 - 9 2.258308998060 -2.578668362307 0.146146097666 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 2.258308998060 -2.578668362307 0.146146097666 0.8000000000D+00 0.1000000000D+01 Atom H2 Shell 5 S 3 bf 16 - 16 2.059603026812 -4.619754717412 -0.027045832723 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H2 Shell 6 S 1 bf 17 - 17 2.059603026812 -4.619754717412 -0.027045832723 0.1612777588D+00 0.1000000000D+01 Atom C3 Shell 7 S 6 bf 18 - 18 3.987156732018 -1.327973813260 -1.374415447142 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 8 SP 3 bf 19 - 22 3.987156732018 -1.327973813260 -1.374415447142 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 9 SP 1 bf 23 - 26 3.987156732018 -1.327973813260 -1.374415447142 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 10 D 1 bf 27 - 32 3.987156732018 -1.327973813260 -1.374415447142 0.8000000000D+00 0.1000000000D+01 Atom H4 Shell 11 S 3 bf 33 - 33 5.007310187669 -2.347782222345 -2.840322447051 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H4 Shell 12 S 1 bf 34 - 34 5.007310187669 -2.347782222345 -2.840322447051 0.1612777588D+00 0.1000000000D+01 Atom C5 Shell 13 S 6 bf 35 - 35 3.985955870603 1.332297505068 -1.372398749757 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 14 SP 3 bf 36 - 39 3.985955870603 1.332297505068 -1.372398749757 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 15 SP 1 bf 40 - 43 3.985955870603 1.332297505068 -1.372398749757 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 16 D 1 bf 44 - 49 3.985955870603 1.332297505068 -1.372398749757 0.8000000000D+00 0.1000000000D+01 Atom H6 Shell 17 S 3 bf 50 - 50 5.005152546226 2.355324279931 -2.836690925491 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 18 S 1 bf 51 - 51 5.005152546226 2.355324279931 -2.836690925491 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 19 S 6 bf 52 - 52 2.254555040114 2.578485277771 0.149434744346 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C7 Shell 20 SP 3 bf 53 - 56 2.254555040114 2.578485277771 0.149434744346 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C7 Shell 21 SP 1 bf 57 - 60 2.254555040114 2.578485277771 0.149434744346 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 22 D 1 bf 61 - 66 2.254555040114 2.578485277771 0.149434744346 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 2.054822472700 4.619836911439 -0.019595899977 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 24 S 1 bf 68 - 68 2.054822472700 4.619836911439 -0.019595899977 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 25 S 6 bf 69 - 69 1.497262060275 1.469826441659 2.678395912883 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C9 Shell 26 SP 3 bf 70 - 73 1.497262060275 1.469826441659 2.678395912883 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C9 Shell 27 SP 1 bf 74 - 77 1.497262060275 1.469826441659 2.678395912883 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 28 D 1 bf 78 - 83 1.497262060275 1.469826441659 2.678395912883 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 29 S 3 bf 84 - 84 2.849734517945 2.154610914576 4.097575611633 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 30 S 1 bf 85 - 85 2.849734517945 2.154610914576 4.097575611633 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 -0.341951909055 2.233208186089 3.244541030661 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 32 S 1 bf 87 - 87 -0.341951909055 2.233208186089 3.244541030661 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 1.497896146405 -1.474701209833 2.675994725696 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C12 Shell 34 SP 3 bf 89 - 92 1.497896146405 -1.474701209833 2.675994725696 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C12 Shell 35 SP 1 bf 93 - 96 1.497896146405 -1.474701209833 2.675994725696 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 1.497896146405 -1.474701209833 2.675994725696 0.8000000000D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 -0.341627778093 -2.239877655911 3.238888345586 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 38 S 1 bf 104 - 104 -0.341627778093 -2.239877655911 3.238888345586 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 2.848955738478 -2.161177390832 4.095756886169 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 2.848955738478 -2.161177390832 4.095756886169 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 -1.433739621328 -1.311046955809 -1.836200856483 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 42 SP 3 bf 108 - 111 -1.433739621328 -1.311046955809 -1.836200856483 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 43 SP 1 bf 112 - 115 -1.433739621328 -1.311046955809 -1.836200856483 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 -1.433739621328 -1.311046955809 -1.836200856483 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 45 S 3 bf 122 - 122 -0.955568274612 -2.538332241189 -3.388347117226 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 46 S 1 bf 123 - 123 -0.955568274612 -2.538332241189 -3.388347117226 0.1612777588D+00 0.1000000000D+01 Atom C17 Shell 47 S 6 bf 124 - 124 -1.433093604213 1.314190310429 -1.833267434492 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C17 Shell 48 SP 3 bf 125 - 128 -1.433093604213 1.314190310429 -1.833267434492 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C17 Shell 49 SP 1 bf 129 - 132 -1.433093604213 1.314190310429 -1.833267434492 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 50 D 1 bf 133 - 138 -1.433093604213 1.314190310429 -1.833267434492 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 51 S 3 bf 139 - 139 -0.957805142483 2.543541884438 -3.384808729919 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 52 S 1 bf 140 - 140 -0.957805142483 2.543541884438 -3.384808729919 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 53 S 6 bf 141 - 141 -3.431203422524 -2.169404348320 -0.352782262945 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O19 Shell 54 SP 3 bf 142 - 145 -3.431203422524 -2.169404348320 -0.352782262945 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O19 Shell 55 SP 1 bf 146 - 149 -3.431203422524 -2.169404348320 -0.352782262945 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 56 D 1 bf 150 - 155 -3.431203422524 -2.169404348320 -0.352782262945 0.8000000000D+00 0.1000000000D+01 Atom O20 Shell 57 S 6 bf 156 - 156 -3.431760939020 2.169163139065 -0.348652242002 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O20 Shell 58 SP 3 bf 157 - 160 -3.431760939020 2.169163139065 -0.348652242002 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O20 Shell 59 SP 1 bf 161 - 164 -3.431760939020 2.169163139065 -0.348652242002 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O20 Shell 60 D 1 bf 165 - 170 -3.431760939020 2.169163139065 -0.348652242002 0.8000000000D+00 0.1000000000D+01 Atom C21 Shell 61 S 6 bf 171 - 171 -4.543553270252 -0.001251415146 0.790901697890 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C21 Shell 62 SP 3 bf 172 - 175 -4.543553270252 -0.001251415146 0.790901697890 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C21 Shell 63 SP 1 bf 176 - 179 -4.543553270252 -0.001251415146 0.790901697890 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 64 D 1 bf 180 - 185 -4.543553270252 -0.001251415146 0.790901697890 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 -6.590770627236 -0.001313160844 0.452911880453 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 66 S 1 bf 187 - 187 -6.590770627236 -0.001313160844 0.452911880453 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -4.158629976100 -0.003301785323 2.831069093814 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 -4.158629976100 -0.003301785323 2.831069093814 0.1612777588D+00 0.1000000000D+01 There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5281472899 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 Initial guess from the checkpoint file: "\\icnas2.cc.ic.ac.uk\fht14\Labs\Year3\Transition States\Method2\diene+dioxole_opt631Gd_opt+freqPM6+631Gd.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668919 A.U. after 1 cycles NFock= 1 Conv=0.27D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 189 NBasis= 189 NAE= 41 NBE= 41 NFC= 0 NFV= 0 NROrb= 189 NOA= 41 NOB= 41 NVA= 148 NVB= 148 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=164638410. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 69 vectors produced by pass 0 Test12= 8.43D-15 1.39D-09 XBig12= 1.78D+02 8.75D+00. AX will form 69 AO Fock derivatives at one time. 69 vectors produced by pass 1 Test12= 8.43D-15 1.39D-09 XBig12= 2.96D+01 1.04D+00. 69 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 2.55D-01 9.84D-02. 69 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 6.80D-04 4.84D-03. 69 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.04D-06 1.29D-04. 60 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 9.07D-10 3.72D-06. 3 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 6.77D-13 9.46D-08. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 5.46D-16 3.22D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 410 with 72 vectors. Isotropic polarizability for W= 0.000000 101.29 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10716 -1.01319 -0.82908 -0.76591 Alpha occ. eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60398 Alpha occ. eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38414 -0.37327 -0.35526 -0.34881 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 Alpha occ. eigenvalues -- -0.18559 Alpha virt. eigenvalues -- -0.00698 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12248 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16394 0.17145 0.17765 0.19270 0.19776 Alpha virt. eigenvalues -- 0.20300 0.22884 0.23612 0.24271 0.24912 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50829 0.52317 Alpha virt. eigenvalues -- 0.54652 0.54788 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60744 0.61336 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71284 0.72293 0.74095 0.75191 Alpha virt. eigenvalues -- 0.77535 0.79576 0.79877 0.81067 0.82848 Alpha virt. eigenvalues -- 0.84204 0.85443 0.86451 0.88061 0.88446 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91381 0.93717 Alpha virt. eigenvalues -- 0.94029 0.95122 1.00794 1.01440 1.02298 Alpha virt. eigenvalues -- 1.02721 1.09206 1.09919 1.11415 1.14920 Alpha virt. eigenvalues -- 1.15182 1.18941 1.20406 1.25129 1.26442 Alpha virt. eigenvalues -- 1.36726 1.37043 1.39833 1.42713 1.43216 Alpha virt. eigenvalues -- 1.43858 1.47573 1.49205 1.52643 1.58530 Alpha virt. eigenvalues -- 1.63998 1.66107 1.72043 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77089 1.79420 1.86000 1.87776 1.88533 Alpha virt. eigenvalues -- 1.90842 1.93559 1.95825 1.97651 1.97837 Alpha virt. eigenvalues -- 1.98103 2.00055 2.01937 2.04155 2.08888 Alpha virt. eigenvalues -- 2.12024 2.14080 2.16027 2.23008 2.25487 Alpha virt. eigenvalues -- 2.26205 2.27983 2.29195 2.30956 2.31854 Alpha virt. eigenvalues -- 2.37118 2.40151 2.43437 2.44809 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52229 2.54540 2.59889 2.62740 Alpha virt. eigenvalues -- 2.64517 2.67570 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76595 2.80387 2.86686 2.87992 2.94456 Alpha virt. eigenvalues -- 3.10579 3.13118 4.00625 4.10573 4.12767 Alpha virt. eigenvalues -- 4.25201 4.26810 4.36205 4.37019 4.44855 Alpha virt. eigenvalues -- 4.48935 4.64964 4.87450 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17688 -19.17679 -10.29230 -10.23860 -10.23802 1 1 C 1S -0.00002 0.00001 0.00004 -0.00011 0.00022 2 2S -0.00015 0.00003 0.00012 -0.00042 0.00084 3 2PX -0.00002 -0.00002 -0.00003 0.00010 -0.00008 4 2PY 0.00000 0.00000 0.00006 -0.00009 0.00015 5 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 6 3S 0.00108 -0.00038 -0.00079 0.00152 -0.00367 7 3PX 0.00008 0.00010 0.00019 -0.00091 0.00075 8 3PY 0.00044 -0.00022 -0.00067 0.00038 -0.00136 9 3PZ -0.00015 -0.00018 -0.00037 0.00000 0.00002 10 4XX 0.00003 0.00000 0.00004 -0.00005 0.00013 11 4YY -0.00002 0.00000 0.00004 -0.00020 0.00028 12 4ZZ -0.00001 0.00001 0.00003 -0.00013 0.00020 13 4XY 0.00001 0.00001 0.00002 -0.00007 0.00010 14 4XZ -0.00001 0.00001 0.00003 0.00009 -0.00011 15 4YZ 0.00000 -0.00001 -0.00002 -0.00003 0.00005 16 2 H 1S -0.00001 0.00000 -0.00002 -0.00006 0.00005 17 2S 0.00009 -0.00005 -0.00025 -0.00007 -0.00001 18 3 C 1S 0.00002 0.00000 -0.00002 -0.00009 0.00004 19 2S 0.00011 -0.00002 -0.00007 -0.00010 0.00006 20 2PX -0.00001 0.00000 0.00002 0.00007 -0.00005 21 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 22 2PZ -0.00002 -0.00001 0.00001 0.00003 0.00001 23 3S -0.00111 0.00037 0.00019 0.00039 0.00111 24 3PX 0.00043 -0.00016 -0.00024 0.00003 -0.00054 25 3PY -0.00010 0.00025 0.00025 -0.00018 0.00035 26 3PZ -0.00024 0.00015 0.00019 -0.00007 0.00056 27 4XX 0.00001 0.00000 -0.00001 -0.00007 0.00003 28 4YY 0.00002 0.00000 -0.00003 -0.00006 0.00005 29 4ZZ 0.00004 0.00000 -0.00003 -0.00007 0.00004 30 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 31 4XZ 0.00002 0.00000 -0.00002 0.00000 0.00001 32 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 33 4 H 1S 0.00002 0.00001 0.00003 0.00001 0.00002 34 2S -0.00006 0.00008 0.00012 -0.00020 0.00028 35 5 C 1S 0.00000 0.00002 -0.00002 -0.00008 -0.00004 36 2S -0.00003 0.00011 -0.00007 -0.00010 -0.00006 37 2PX 0.00000 -0.00001 0.00002 0.00007 0.00005 38 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 39 2PZ -0.00001 -0.00002 0.00001 0.00003 -0.00001 40 3S 0.00042 -0.00109 0.00019 0.00042 -0.00109 41 3PX -0.00018 0.00043 -0.00024 0.00001 0.00054 42 3PY -0.00025 0.00009 -0.00025 0.00017 0.00036 43 3PZ 0.00016 -0.00024 0.00019 -0.00006 -0.00056 44 4XX 0.00000 0.00001 -0.00001 -0.00006 -0.00003 45 4YY 0.00000 0.00002 -0.00003 -0.00006 -0.00005 46 4ZZ 0.00000 0.00004 -0.00003 -0.00007 -0.00004 47 4XY 0.00001 0.00000 0.00001 -0.00002 -0.00001 48 4XZ 0.00000 0.00002 -0.00002 0.00000 -0.00001 49 4YZ 0.00000 -0.00001 0.00000 0.00006 0.00006 50 6 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 51 2S 0.00008 -0.00006 0.00012 -0.00020 -0.00028 52 7 C 1S 0.00001 -0.00002 0.00004 -0.00010 -0.00023 53 2S 0.00004 -0.00015 0.00012 -0.00040 -0.00085 54 2PX -0.00002 -0.00002 -0.00003 0.00010 0.00008 55 2PY 0.00000 0.00000 -0.00006 0.00008 0.00015 56 2PZ 0.00001 0.00001 0.00003 -0.00002 -0.00010 57 3S -0.00043 0.00106 -0.00080 0.00145 0.00370 58 3PX 0.00010 0.00008 0.00019 -0.00090 -0.00077 59 3PY 0.00024 -0.00043 0.00067 -0.00035 -0.00137 60 3PZ -0.00017 -0.00016 -0.00037 0.00000 -0.00002 61 4XX 0.00000 0.00003 0.00004 -0.00005 -0.00013 62 4YY 0.00000 -0.00002 0.00004 -0.00019 -0.00028 63 4ZZ 0.00001 -0.00001 0.00003 -0.00012 -0.00020 64 4XY -0.00001 -0.00002 -0.00002 0.00007 0.00010 65 4XZ 0.00001 -0.00001 0.00003 0.00009 0.00012 66 4YZ 0.00001 0.00000 0.00002 0.00003 0.00005 67 8 H 1S 0.00000 -0.00001 -0.00002 -0.00006 -0.00005 68 2S -0.00005 0.00009 -0.00025 -0.00007 0.00000 69 9 C 1S -0.00001 0.00000 -0.00002 -0.00010 -0.00014 70 2S -0.00006 -0.00002 -0.00005 -0.00012 -0.00029 71 2PX 0.00002 -0.00002 0.00006 0.00013 0.00015 72 2PY 0.00001 0.00000 0.00004 0.00004 -0.00001 73 2PZ 0.00000 -0.00003 0.00000 0.00020 0.00028 74 3S 0.00050 -0.00001 0.00051 -0.00024 0.00028 75 3PX -0.00005 -0.00011 -0.00002 -0.00052 -0.00141 76 3PY -0.00008 0.00018 0.00001 -0.00018 -0.00084 77 3PZ -0.00027 0.00037 -0.00042 -0.00026 -0.00057 78 4XX -0.00002 0.00002 -0.00003 -0.00006 -0.00011 79 4YY -0.00001 -0.00001 -0.00002 -0.00010 -0.00010 80 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00017 81 4XY 0.00000 0.00000 -0.00002 -0.00002 0.00005 82 4XZ -0.00001 0.00003 -0.00003 -0.00001 -0.00003 83 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 84 10 H 1S 0.00000 -0.00003 0.00001 0.00005 0.00013 85 2S 0.00006 -0.00011 0.00012 0.00048 0.00083 86 11 H 1S -0.00004 0.00009 -0.00007 -0.00004 -0.00018 87 2S 0.00000 -0.00045 0.00010 -0.00027 -0.00023 88 12 C 1S 0.00000 -0.00001 -0.00002 -0.00010 0.00014 89 2S -0.00002 -0.00006 -0.00005 -0.00012 0.00029 90 2PX -0.00002 0.00002 0.00006 0.00013 -0.00015 91 2PY 0.00000 -0.00001 -0.00004 -0.00004 -0.00001 92 2PZ -0.00003 0.00000 0.00000 0.00021 -0.00027 93 3S -0.00004 0.00049 0.00051 -0.00022 -0.00029 94 3PX -0.00011 -0.00005 -0.00001 -0.00055 0.00140 95 3PY -0.00019 0.00007 -0.00001 0.00020 -0.00084 96 3PZ 0.00039 -0.00025 -0.00041 -0.00027 0.00056 97 4XX 0.00002 -0.00002 -0.00003 -0.00006 0.00011 98 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 99 4ZZ -0.00002 -0.00002 0.00002 -0.00011 0.00016 100 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 101 4XZ 0.00003 -0.00001 -0.00003 -0.00001 0.00003 102 4YZ 0.00000 -0.00001 0.00001 0.00004 0.00003 103 13 H 1S 0.00009 -0.00003 -0.00007 -0.00005 0.00018 104 2S -0.00045 -0.00002 0.00011 -0.00027 0.00023 105 14 H 1S -0.00003 0.00000 0.00001 0.00005 -0.00013 106 2S -0.00011 0.00006 0.00012 0.00050 -0.00082 107 15 C 1S 0.00001 -0.00001 -0.00012 0.70931 -0.69501 108 2S 0.00030 0.00007 -0.00038 0.03497 -0.03524 109 2PX -0.00026 0.00004 -0.00006 -0.00041 0.00035 110 2PY -0.00015 -0.00002 -0.00014 -0.00024 -0.00010 111 2PZ 0.00021 -0.00003 0.00002 0.00061 -0.00066 112 3S -0.00225 0.00022 0.00089 -0.00735 0.01891 113 3PX 0.00104 -0.00037 -0.00066 -0.00005 -0.00024 114 3PY 0.00064 0.00007 0.00057 0.00042 0.00481 115 3PZ -0.00088 0.00041 0.00081 -0.00083 0.00264 116 4XX 0.00012 -0.00003 0.00007 -0.00645 0.00605 117 4YY 0.00010 -0.00011 -0.00003 -0.00651 0.00583 118 4ZZ 0.00006 -0.00003 -0.00003 -0.00641 0.00598 119 4XY 0.00008 0.00002 -0.00004 0.00009 0.00002 120 4XZ -0.00007 0.00001 -0.00018 -0.00019 0.00019 121 4YZ -0.00007 -0.00003 0.00000 0.00007 -0.00001 122 16 H 1S 0.00010 0.00005 0.00006 -0.00026 0.00012 123 2S 0.00003 0.00012 0.00039 0.00140 -0.00069 124 17 C 1S -0.00001 0.00001 -0.00012 0.69467 0.70965 125 2S 0.00005 0.00031 -0.00038 0.03423 0.03596 126 2PX 0.00005 -0.00026 -0.00006 -0.00040 -0.00036 127 2PY 0.00002 0.00015 0.00014 0.00024 -0.00010 128 2PZ -0.00004 0.00020 0.00002 0.00060 0.00067 129 3S 0.00032 -0.00224 0.00089 -0.00697 -0.01907 130 3PX -0.00042 0.00102 -0.00066 -0.00005 0.00024 131 3PY -0.00004 -0.00064 -0.00057 -0.00052 0.00480 132 3PZ 0.00045 -0.00086 0.00080 -0.00078 -0.00265 133 4XX -0.00004 0.00012 0.00007 -0.00633 -0.00618 134 4YY -0.00011 0.00010 -0.00003 -0.00639 -0.00596 135 4ZZ -0.00004 0.00005 -0.00003 -0.00628 -0.00611 136 4XY -0.00002 -0.00008 0.00004 -0.00009 0.00002 137 4XZ 0.00002 -0.00007 -0.00018 -0.00019 -0.00019 138 4YZ 0.00003 0.00007 0.00000 -0.00007 -0.00001 139 18 H 1S 0.00005 0.00011 0.00006 -0.00026 -0.00012 140 2S 0.00011 0.00004 0.00039 0.00139 0.00072 141 19 O 1S 0.99246 0.02205 -0.00007 -0.00004 0.00014 142 2S 0.02573 0.00064 0.00001 0.00009 0.00035 143 2PX 0.00026 0.00000 0.00009 -0.00008 0.00006 144 2PY 0.00088 0.00000 0.00000 0.00004 0.00004 145 2PZ -0.00010 0.00002 -0.00006 0.00006 -0.00002 146 3S 0.01320 0.00010 0.00114 0.00004 -0.00351 147 3PX 0.00036 -0.00010 -0.00053 0.00028 -0.00045 148 3PY 0.00038 0.00010 -0.00039 -0.00072 -0.00032 149 3PZ -0.00015 0.00000 0.00039 -0.00014 -0.00008 150 4XX -0.00822 -0.00016 -0.00010 -0.00016 0.00038 151 4YY -0.00830 -0.00022 -0.00050 -0.00004 0.00038 152 4ZZ -0.00822 -0.00016 -0.00002 -0.00008 0.00034 153 4XY 0.00001 -0.00001 0.00016 -0.00010 0.00017 154 4XZ 0.00004 0.00002 0.00020 0.00032 -0.00037 155 4YZ -0.00002 0.00000 -0.00020 0.00005 -0.00013 156 20 O 1S -0.02204 0.99246 -0.00007 -0.00003 -0.00014 157 2S -0.00051 0.02573 0.00001 0.00009 -0.00035 158 2PX -0.00001 0.00026 0.00009 -0.00008 -0.00006 159 2PY 0.00004 -0.00088 0.00000 -0.00004 0.00003 160 2PZ 0.00002 -0.00010 -0.00006 0.00006 0.00002 161 3S -0.00049 0.01319 0.00114 -0.00003 0.00352 162 3PX -0.00012 0.00035 -0.00053 0.00028 0.00045 163 3PY -0.00009 -0.00038 0.00039 0.00073 -0.00031 164 3PZ 0.00001 -0.00015 0.00039 -0.00014 0.00007 165 4XX 0.00021 -0.00822 -0.00010 -0.00015 -0.00039 166 4YY 0.00014 -0.00830 -0.00050 -0.00003 -0.00038 167 4ZZ 0.00020 -0.00822 -0.00002 -0.00008 -0.00034 168 4XY 0.00001 -0.00001 -0.00016 0.00009 0.00017 169 4XZ 0.00002 0.00004 0.00020 0.00031 0.00038 170 4YZ 0.00000 0.00002 0.00020 -0.00004 -0.00013 171 21 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 172 2S 0.00024 0.00025 0.04864 -0.00058 -0.00001 173 2PX 0.00011 0.00012 0.00077 0.00008 0.00000 174 2PY -0.00030 0.00029 0.00000 0.00000 -0.00008 175 2PZ -0.00014 -0.00015 -0.00067 -0.00010 0.00000 176 3S -0.00197 -0.00206 -0.01350 0.00274 0.00003 177 3PX -0.00029 -0.00031 -0.00060 0.00136 0.00001 178 3PY 0.00082 -0.00079 0.00000 0.00000 -0.00025 179 3PZ 0.00040 0.00042 -0.00001 -0.00099 -0.00001 180 4XX 0.00006 0.00006 -0.00875 0.00007 0.00000 181 4YY 0.00027 0.00028 -0.00875 0.00003 0.00000 182 4ZZ 0.00007 0.00007 -0.00878 0.00002 0.00000 183 4XY -0.00010 0.00009 0.00000 0.00000 0.00002 184 4XZ -0.00007 -0.00007 -0.00006 -0.00025 0.00000 185 4YZ 0.00012 -0.00011 0.00000 0.00000 -0.00003 186 22 H 1S 0.00012 0.00013 -0.00018 -0.00007 0.00000 187 2S 0.00009 0.00010 0.00240 0.00015 0.00000 188 23 H 1S 0.00008 0.00008 -0.00007 -0.00013 0.00000 189 2S 0.00012 0.00012 0.00276 -0.00005 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18645 -10.18640 -10.18037 -10.18019 -10.16936 1 1 C 1S -0.23208 0.96536 -0.01420 0.01372 -0.01281 2 2S -0.01276 0.04903 -0.00084 0.00072 -0.00086 3 2PX 0.00021 -0.00026 0.00001 0.00004 -0.00019 4 2PY -0.00039 0.00037 -0.00005 -0.00002 -0.00009 5 2PZ -0.00004 0.00002 -0.00011 -0.00009 0.00010 6 3S 0.01227 -0.02222 0.00291 -0.00388 0.00267 7 3PX 0.00042 -0.00003 -0.00062 0.00047 0.00096 8 3PY 0.00509 -0.00444 0.00039 -0.00096 0.00067 9 3PZ 0.00032 -0.00026 0.00170 -0.00176 -0.00085 10 4XX 0.00174 -0.00858 -0.00001 -0.00007 -0.00002 11 4YY 0.00175 -0.00835 0.00008 -0.00004 0.00009 12 4ZZ 0.00181 -0.00854 -0.00013 0.00010 0.00000 13 4XY 0.00001 0.00010 0.00003 -0.00006 -0.00003 14 4XZ -0.00005 -0.00016 0.00004 -0.00002 0.00008 15 4YZ 0.00001 -0.00005 -0.00006 0.00003 0.00002 16 2 H 1S 0.00012 -0.00021 -0.00011 0.00006 -0.00004 17 2S 0.00067 0.00157 -0.00002 0.00006 0.00009 18 3 C 1S -0.00372 0.01651 -0.00069 0.00056 0.72677 19 2S 0.00003 0.00021 -0.00022 0.00022 0.03612 20 2PX 0.00007 0.00011 0.00005 -0.00008 -0.00025 21 2PY -0.00009 0.00013 -0.00007 -0.00004 -0.00013 22 2PZ 0.00003 -0.00020 -0.00011 0.00007 -0.00001 23 3S -0.00746 0.00838 0.00052 -0.00041 -0.00823 24 3PX 0.00281 -0.00311 -0.00035 0.00050 0.00101 25 3PY -0.00113 0.00019 -0.00003 0.00006 0.00055 26 3PZ -0.00310 0.00319 0.00033 -0.00030 -0.00048 27 4XX 0.00007 -0.00031 -0.00008 0.00004 -0.00695 28 4YY 0.00015 -0.00034 -0.00002 0.00003 -0.00698 29 4ZZ 0.00007 -0.00036 -0.00004 0.00003 -0.00687 30 4XY 0.00002 -0.00016 0.00007 -0.00002 0.00001 31 4XZ -0.00002 0.00004 -0.00005 0.00004 -0.00011 32 4YZ -0.00003 0.00012 0.00000 -0.00005 0.00001 33 4 H 1S -0.00009 -0.00003 0.00001 -0.00001 -0.00032 34 2S -0.00081 0.00085 0.00026 -0.00024 0.00137 35 5 C 1S 0.01630 0.00416 -0.00067 -0.00057 0.67591 36 2S 0.00017 0.00012 -0.00022 -0.00022 0.03354 37 2PX 0.00006 0.00011 0.00005 0.00008 -0.00023 38 2PY -0.00016 0.00002 0.00007 -0.00004 0.00015 39 2PZ -0.00019 -0.00007 -0.00010 -0.00007 -0.00002 40 3S 0.01085 -0.00284 0.00052 0.00043 -0.00700 41 3PX -0.00404 0.00109 -0.00034 -0.00051 0.00083 42 3PY -0.00070 0.00093 0.00002 0.00006 -0.00079 43 3PZ 0.00424 -0.00132 0.00032 0.00031 -0.00035 44 4XX -0.00031 -0.00008 -0.00007 -0.00004 -0.00648 45 4YY -0.00037 -0.00002 -0.00002 -0.00003 -0.00654 46 4ZZ -0.00035 -0.00010 -0.00004 -0.00003 -0.00641 47 4XY 0.00015 0.00006 -0.00007 -0.00002 0.00000 48 4XZ 0.00005 0.00001 -0.00005 -0.00004 -0.00010 49 4YZ -0.00012 -0.00003 0.00000 -0.00005 -0.00001 50 6 H 1S 0.00002 -0.00009 0.00001 0.00001 -0.00030 51 2S 0.00113 -0.00034 0.00026 0.00024 0.00132 52 7 C 1S 0.96546 0.23166 -0.01377 -0.01393 -0.01187 53 2S 0.04948 0.01090 -0.00082 -0.00073 -0.00080 54 2PX -0.00032 0.00007 0.00001 -0.00004 -0.00018 55 2PY -0.00051 0.00018 0.00005 -0.00002 0.00009 56 2PZ 0.00004 -0.00003 -0.00012 0.00008 0.00010 57 3S -0.02538 0.00084 0.00281 0.00394 0.00233 58 3PX -0.00023 0.00037 -0.00060 -0.00048 0.00089 59 3PY 0.00626 -0.00252 -0.00037 -0.00097 -0.00054 60 3PZ -0.00037 0.00017 0.00165 0.00179 -0.00081 61 4XX -0.00843 -0.00235 -0.00001 0.00007 -0.00001 62 4YY -0.00824 -0.00223 0.00008 0.00004 0.00010 63 4ZZ -0.00843 -0.00227 -0.00013 -0.00010 0.00000 64 4XY -0.00008 -0.00006 -0.00003 -0.00007 0.00003 65 4XZ -0.00012 -0.00011 0.00004 0.00002 0.00007 66 4YZ 0.00005 0.00001 0.00006 0.00003 -0.00001 67 8 H 1S -0.00024 0.00001 -0.00011 -0.00006 -0.00004 68 2S 0.00110 0.00131 -0.00002 -0.00006 0.00008 69 9 C 1S 0.01882 0.00464 0.69385 0.71027 0.00036 70 2S 0.00055 0.00025 0.03488 0.03643 -0.00014 71 2PX -0.00011 0.00002 -0.00001 -0.00002 -0.00010 72 2PY -0.00007 0.00003 0.00003 -0.00003 0.00004 73 2PZ -0.00016 0.00016 -0.00014 -0.00020 0.00004 74 3S 0.00789 -0.00157 -0.01045 -0.01984 0.00036 75 3PX 0.00202 -0.00079 0.00002 0.00000 0.00036 76 3PY -0.00010 0.00054 -0.00124 0.00266 0.00002 77 3PZ -0.00325 0.00049 0.00083 0.00193 -0.00019 78 4XX -0.00025 -0.00012 -0.00621 -0.00608 -0.00007 79 4YY -0.00031 -0.00010 -0.00657 -0.00605 -0.00005 80 4ZZ -0.00033 -0.00018 -0.00630 -0.00618 0.00000 81 4XY -0.00006 0.00000 0.00001 0.00000 0.00001 82 4XZ 0.00009 0.00001 0.00003 0.00004 -0.00003 83 4YZ 0.00022 0.00006 0.00006 -0.00005 -0.00002 84 10 H 1S -0.00040 0.00010 -0.00009 0.00020 -0.00005 85 2S -0.00004 0.00019 0.00176 0.00179 -0.00013 86 11 H 1S -0.00016 -0.00002 -0.00010 0.00031 0.00001 87 2S 0.00056 -0.00022 0.00217 0.00214 0.00029 88 12 C 1S -0.00445 0.01903 0.71002 -0.69410 0.00038 89 2S -0.00003 0.00061 0.03571 -0.03562 -0.00015 90 2PX 0.00007 -0.00009 -0.00001 0.00002 -0.00011 91 2PY -0.00006 0.00004 -0.00002 -0.00003 -0.00004 92 2PZ 0.00022 -0.00007 -0.00015 0.00019 0.00004 93 3S -0.00498 0.00630 -0.01091 0.01960 0.00033 94 3PX -0.00162 0.00144 0.00002 0.00000 0.00038 95 3PY -0.00053 -0.00015 0.00117 0.00269 -0.00001 96 3PZ 0.00191 -0.00267 0.00088 -0.00191 -0.00019 97 4XX 0.00001 -0.00028 -0.00634 0.00594 -0.00007 98 4YY 0.00005 -0.00032 -0.00670 0.00590 -0.00005 99 4ZZ -0.00001 -0.00038 -0.00644 0.00604 0.00000 100 4XY -0.00002 0.00005 0.00000 0.00000 0.00000 101 4XZ -0.00003 0.00009 0.00003 -0.00004 -0.00004 102 4YZ 0.00005 -0.00022 -0.00005 -0.00005 0.00002 103 13 H 1S 0.00006 -0.00015 -0.00010 -0.00031 0.00001 104 2S -0.00046 0.00040 0.00222 -0.00209 0.00032 105 14 H 1S 0.00027 -0.00031 -0.00009 -0.00020 -0.00005 106 2S 0.00019 0.00005 0.00180 -0.00175 -0.00014 107 15 C 1S 0.00011 -0.00019 0.00002 0.00002 0.00002 108 2S 0.00078 -0.00116 -0.00014 0.00039 -0.00004 109 2PX 0.00012 -0.00019 -0.00004 0.00004 -0.00015 110 2PY -0.00010 0.00001 -0.00016 -0.00001 0.00001 111 2PZ 0.00004 -0.00006 -0.00016 0.00021 0.00000 112 3S -0.00659 0.00692 0.00028 -0.00367 -0.00017 113 3PX -0.00050 0.00092 -0.00035 0.00111 0.00086 114 3PY -0.00198 0.00053 0.00052 -0.00200 0.00015 115 3PZ -0.00236 0.00222 0.00083 -0.00241 -0.00043 116 4XX 0.00003 -0.00005 -0.00012 0.00011 -0.00015 117 4YY 0.00013 -0.00027 -0.00008 0.00005 -0.00007 118 4ZZ 0.00012 -0.00026 -0.00009 0.00012 -0.00013 119 4XY -0.00008 -0.00003 0.00002 -0.00005 -0.00005 120 4XZ 0.00001 0.00007 -0.00005 0.00009 0.00008 121 4YZ -0.00006 -0.00003 -0.00005 -0.00004 0.00006 122 16 H 1S 0.00011 -0.00024 0.00008 -0.00014 -0.00012 123 2S -0.00048 -0.00003 0.00059 -0.00117 -0.00008 124 17 C 1S -0.00022 0.00001 0.00002 -0.00002 0.00002 125 2S -0.00139 0.00017 -0.00013 -0.00039 -0.00005 126 2PX -0.00022 0.00002 -0.00004 -0.00004 -0.00014 127 2PY -0.00005 0.00008 0.00016 -0.00001 0.00000 128 2PZ -0.00007 0.00001 -0.00015 -0.00021 -0.00001 129 3S 0.00916 -0.00274 0.00020 0.00368 -0.00011 130 3PX 0.00105 -0.00003 -0.00032 -0.00112 0.00074 131 3PY -0.00138 0.00153 -0.00047 -0.00202 -0.00016 132 3PZ 0.00305 -0.00109 0.00078 0.00243 -0.00033 133 4XX -0.00005 0.00000 -0.00012 -0.00012 -0.00014 134 4YY -0.00030 0.00000 -0.00008 -0.00005 -0.00006 135 4ZZ -0.00029 -0.00001 -0.00008 -0.00012 -0.00013 136 4XY -0.00001 0.00008 -0.00002 -0.00005 0.00006 137 4XZ 0.00006 0.00004 -0.00005 -0.00010 0.00008 138 4YZ 0.00000 0.00007 0.00006 -0.00004 -0.00006 139 18 H 1S -0.00026 -0.00001 0.00008 0.00014 -0.00010 140 2S 0.00019 -0.00045 0.00056 0.00119 -0.00006 141 19 O 1S -0.00007 0.00008 0.00006 -0.00002 -0.00004 142 2S -0.00036 0.00038 0.00028 -0.00016 -0.00020 143 2PX -0.00004 0.00007 0.00001 0.00002 0.00000 144 2PY -0.00002 0.00001 0.00002 0.00003 -0.00001 145 2PZ -0.00003 -0.00001 0.00002 0.00001 0.00003 146 3S 0.00224 -0.00225 -0.00151 0.00144 0.00109 147 3PX 0.00086 -0.00109 -0.00024 0.00052 0.00031 148 3PY 0.00046 -0.00017 -0.00044 0.00019 0.00016 149 3PZ -0.00005 0.00034 -0.00014 -0.00022 -0.00033 150 4XX -0.00009 0.00008 0.00016 0.00001 -0.00008 151 4YY -0.00021 0.00025 0.00011 -0.00007 -0.00012 152 4ZZ -0.00024 0.00030 0.00019 -0.00006 -0.00010 153 4XY 0.00005 -0.00004 -0.00004 0.00004 0.00004 154 4XZ -0.00001 0.00002 0.00000 0.00002 -0.00006 155 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 156 20 O 1S 0.00010 -0.00003 0.00006 0.00003 -0.00004 157 2S 0.00050 -0.00015 0.00028 0.00016 -0.00018 158 2PX 0.00008 -0.00001 0.00001 -0.00002 0.00000 159 2PY -0.00002 0.00001 -0.00002 0.00003 0.00001 160 2PZ 0.00000 -0.00003 0.00002 0.00000 0.00003 161 3S -0.00301 0.00098 -0.00147 -0.00147 0.00096 162 3PX -0.00136 0.00027 -0.00022 -0.00053 0.00027 163 3PY 0.00036 -0.00033 0.00044 0.00020 -0.00015 164 3PZ 0.00032 0.00011 -0.00015 0.00022 -0.00030 165 4XX 0.00011 -0.00004 0.00016 -0.00001 -0.00008 166 4YY 0.00032 -0.00008 0.00011 0.00007 -0.00011 167 4ZZ 0.00037 -0.00007 0.00018 0.00006 -0.00009 168 4XY 0.00006 -0.00003 0.00004 0.00004 -0.00004 169 4XZ 0.00002 0.00001 0.00000 -0.00002 -0.00005 170 4YZ 0.00001 0.00001 0.00001 -0.00004 0.00004 171 21 C 1S 0.00001 0.00002 0.00000 0.00000 -0.00001 172 2S 0.00009 0.00015 -0.00003 0.00000 -0.00008 173 2PX 0.00006 0.00009 -0.00002 0.00000 0.00000 174 2PY 0.00010 -0.00006 0.00000 0.00002 0.00000 175 2PZ 0.00003 0.00005 -0.00010 0.00000 0.00003 176 3S -0.00046 -0.00074 0.00104 0.00001 0.00030 177 3PX -0.00034 -0.00055 0.00041 0.00001 0.00000 178 3PY -0.00021 0.00013 0.00000 -0.00026 0.00000 179 3PZ -0.00010 -0.00016 0.00032 0.00000 -0.00006 180 4XX 0.00003 0.00006 -0.00007 0.00000 -0.00002 181 4YY 0.00001 0.00001 0.00003 0.00000 0.00001 182 4ZZ 0.00003 0.00005 -0.00001 0.00000 -0.00004 183 4XY 0.00004 -0.00002 0.00000 -0.00003 0.00000 184 4XZ 0.00001 0.00002 -0.00001 0.00000 0.00000 185 4YZ 0.00004 -0.00002 0.00000 0.00002 0.00000 186 22 H 1S -0.00001 -0.00002 -0.00002 0.00000 -0.00001 187 2S -0.00013 -0.00022 0.00013 0.00000 -0.00005 188 23 H 1S 0.00005 0.00008 -0.00004 0.00000 0.00001 189 2S 0.00017 0.00027 -0.00076 -0.00001 -0.00006 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10716 -1.01319 -0.82908 -0.76591 1 1 C 1S 0.01162 -0.00187 0.00246 -0.09139 0.01330 2 2S 0.00071 0.00224 -0.00017 0.17063 -0.02642 3 2PX 0.00008 -0.00154 0.00108 0.02427 -0.01433 4 2PY 0.00010 0.00063 0.00058 0.04656 -0.00802 5 2PZ -0.00002 -0.00023 0.00070 0.00319 -0.01050 6 3S -0.00437 0.00685 -0.02162 0.13182 -0.01344 7 3PX -0.00089 -0.00008 0.00423 0.00048 -0.00160 8 3PY -0.00159 0.00219 -0.01159 0.01390 0.00133 9 3PZ 0.00058 -0.00033 -0.00365 0.00079 -0.00606 10 4XX 0.00009 0.00010 0.00016 -0.00551 0.00154 11 4YY 0.00006 -0.00028 0.00082 0.00087 -0.00027 12 4ZZ 0.00002 -0.00022 0.00068 -0.00067 -0.00068 13 4XY 0.00005 -0.00001 0.00005 0.00343 -0.00112 14 4XZ -0.00015 -0.00007 0.00012 -0.00599 0.00192 15 4YZ -0.00006 -0.00001 -0.00009 0.00073 -0.00091 16 2 H 1S -0.00001 0.00044 -0.00093 0.03736 -0.00459 17 2S -0.00012 0.00104 -0.00364 0.00635 0.00023 18 3 C 1S -0.67621 -0.00034 -0.00003 -0.09539 0.01858 19 2S -0.03429 0.00232 -0.00270 0.18222 -0.03484 20 2PX 0.00025 -0.00108 0.00074 -0.03994 0.00121 21 2PY -0.00029 0.00042 0.00050 0.02992 -0.00672 22 2PZ -0.00005 0.00015 -0.00009 0.03311 -0.00786 23 3S 0.01669 -0.00444 0.02195 0.11191 -0.03011 24 3PX -0.00236 0.00291 -0.00854 -0.00065 0.00200 25 3PY 0.00340 -0.00017 0.01025 0.00184 -0.00011 26 3PZ 0.00170 -0.00115 0.00565 -0.00173 -0.00221 27 4XX 0.00622 0.00025 -0.00018 -0.00441 0.00179 28 4YY 0.00586 0.00030 -0.00009 0.00298 -0.00056 29 4ZZ 0.00613 0.00041 -0.00045 -0.00337 0.00066 30 4XY -0.00012 -0.00008 -0.00026 0.00028 -0.00023 31 4XZ 0.00014 0.00007 -0.00015 -0.00711 0.00167 32 4YZ 0.00004 0.00004 0.00006 0.00046 -0.00014 33 4 H 1S 0.00024 0.00012 0.00004 0.03708 -0.00832 34 2S -0.00070 -0.00043 0.00320 0.00181 -0.00145 35 5 C 1S 0.72705 -0.00034 0.00002 -0.09538 0.01851 36 2S 0.03682 0.00232 0.00271 0.18220 -0.03470 37 2PX -0.00027 -0.00108 -0.00075 -0.03993 0.00115 38 2PY -0.00028 -0.00042 0.00050 -0.03003 0.00681 39 2PZ 0.00005 0.00015 0.00009 0.03305 -0.00781 40 3S -0.01724 -0.00444 -0.02195 0.11184 -0.03009 41 3PX 0.00243 0.00292 0.00854 -0.00062 0.00204 42 3PY 0.00335 0.00016 0.01027 -0.00183 0.00015 43 3PZ -0.00173 -0.00115 -0.00563 -0.00175 -0.00223 44 4XX -0.00670 0.00025 0.00018 -0.00440 0.00179 45 4YY -0.00635 0.00030 0.00009 0.00298 -0.00056 46 4ZZ -0.00661 0.00041 0.00045 -0.00337 0.00067 47 4XY -0.00012 0.00008 -0.00026 -0.00028 0.00023 48 4XZ -0.00014 0.00007 0.00015 -0.00711 0.00166 49 4YZ 0.00004 -0.00005 0.00006 -0.00046 0.00015 50 6 H 1S -0.00026 0.00012 -0.00004 0.03707 -0.00828 51 2S 0.00080 -0.00043 -0.00320 0.00180 -0.00145 52 7 C 1S -0.01245 -0.00188 -0.00247 -0.09140 0.01314 53 2S -0.00077 0.00225 0.00018 0.17062 -0.02612 54 2PX -0.00010 -0.00155 -0.00110 0.02436 -0.01436 55 2PY 0.00010 -0.00063 0.00058 -0.04652 0.00800 56 2PZ 0.00002 -0.00023 -0.00071 0.00315 -0.01051 57 3S 0.00454 0.00686 0.02166 0.13191 -0.01315 58 3PX 0.00096 -0.00007 -0.00423 0.00051 -0.00160 59 3PY -0.00163 -0.00220 -0.01161 -0.01395 -0.00135 60 3PZ -0.00064 -0.00035 0.00364 0.00077 -0.00607 61 4XX -0.00010 0.00010 -0.00015 -0.00550 0.00153 62 4YY -0.00005 -0.00028 -0.00082 0.00086 -0.00028 63 4ZZ -0.00002 -0.00022 -0.00068 -0.00068 -0.00068 64 4XY 0.00005 0.00001 0.00005 -0.00343 0.00111 65 4XZ 0.00016 -0.00007 -0.00012 -0.00599 0.00192 66 4YZ -0.00006 0.00001 -0.00009 -0.00074 0.00092 67 8 H 1S 0.00001 0.00044 0.00093 0.03737 -0.00450 68 2S 0.00013 0.00104 0.00364 0.00636 0.00025 69 9 C 1S 0.00028 -0.00166 -0.00115 -0.08158 0.02462 70 2S -0.00014 0.00239 0.00198 0.15286 -0.04704 71 2PX -0.00008 -0.00108 -0.00111 0.01408 -0.00546 72 2PY -0.00003 0.00017 0.00083 -0.01816 0.00665 73 2PZ 0.00009 -0.00087 -0.00018 -0.03443 0.00012 74 3S -0.00016 -0.00019 -0.00795 0.11363 -0.03485 75 3PX 0.00036 -0.00160 -0.00279 0.00243 -0.00123 76 3PY -0.00006 -0.00161 -0.00171 -0.00281 0.00329 77 3PZ -0.00005 -0.00105 0.00241 -0.00208 0.00027 78 4XX -0.00005 0.00007 0.00018 -0.00224 0.00040 79 4YY -0.00004 -0.00016 -0.00028 0.00150 -0.00058 80 4ZZ -0.00001 -0.00021 -0.00035 0.00108 0.00073 81 4XY -0.00004 -0.00001 0.00000 0.00006 0.00006 82 4XZ -0.00002 0.00030 0.00037 -0.00194 0.00065 83 4YZ 0.00001 -0.00008 -0.00004 -0.00015 -0.00012 84 10 H 1S -0.00005 0.00050 0.00061 0.03922 -0.01536 85 2S -0.00007 0.00121 0.00136 0.00320 -0.00367 86 11 H 1S 0.00002 0.00209 0.00254 0.03706 -0.01327 87 2S 0.00034 0.00186 0.00188 0.00201 -0.00617 88 12 C 1S -0.00025 -0.00166 0.00115 -0.08157 0.02469 89 2S 0.00013 0.00239 -0.00197 0.15285 -0.04717 90 2PX 0.00007 -0.00108 0.00111 0.01409 -0.00547 91 2PY -0.00003 -0.00017 0.00083 0.01823 -0.00659 92 2PZ -0.00008 -0.00086 0.00018 -0.03440 0.00016 93 3S 0.00019 -0.00019 0.00794 0.11366 -0.03492 94 3PX -0.00034 -0.00161 0.00280 0.00241 -0.00123 95 3PY -0.00006 0.00162 -0.00170 0.00282 -0.00326 96 3PZ 0.00004 -0.00105 -0.00241 -0.00209 0.00026 97 4XX 0.00005 0.00007 -0.00018 -0.00223 0.00040 98 4YY 0.00004 -0.00016 0.00028 0.00150 -0.00058 99 4ZZ 0.00001 -0.00021 0.00035 0.00107 0.00072 100 4XY -0.00004 0.00001 0.00000 -0.00006 -0.00006 101 4XZ 0.00002 0.00030 -0.00037 -0.00194 0.00065 102 4YZ 0.00001 0.00008 -0.00004 0.00015 0.00011 103 13 H 1S -0.00002 0.00209 -0.00253 0.03705 -0.01331 104 2S -0.00031 0.00186 -0.00187 0.00200 -0.00618 105 14 H 1S 0.00005 0.00050 -0.00061 0.03921 -0.01539 106 2S 0.00006 0.00121 -0.00136 0.00321 -0.00367 107 15 C 1S -0.00001 -0.05625 0.04406 -0.02570 -0.12240 108 2S -0.00003 0.10433 -0.08660 0.05205 0.24580 109 2PX 0.00007 -0.05983 0.06050 0.01487 -0.02200 110 2PY -0.00003 0.00904 0.04369 0.01420 0.06650 111 2PZ -0.00003 0.04389 -0.04451 0.00152 -0.00981 112 3S 0.00084 0.03493 0.00910 0.03215 0.17209 113 3PX -0.00156 0.00368 -0.01822 0.00320 0.00226 114 3PY 0.00011 -0.00023 0.01690 0.00196 0.01028 115 3PZ 0.00137 -0.00412 0.02571 -0.00107 -0.00590 116 4XX 0.00011 0.00382 -0.00643 -0.00140 -0.00970 117 4YY 0.00005 -0.00147 0.00861 0.00138 0.00604 118 4ZZ 0.00005 -0.00073 -0.00180 -0.00082 -0.00696 119 4XY -0.00002 0.00228 -0.00614 0.00011 0.00065 120 4XZ -0.00007 -0.01132 0.01154 0.00055 -0.00475 121 4YZ -0.00005 -0.00085 0.00360 0.00100 0.00233 122 16 H 1S 0.00023 0.01252 -0.01446 0.01509 0.06812 123 2S 0.00031 -0.00348 0.00849 0.00255 0.01258 124 17 C 1S 0.00001 -0.05618 -0.04410 -0.02572 -0.12240 125 2S 0.00003 0.10419 0.08668 0.05209 0.24579 126 2PX -0.00008 -0.05976 -0.06055 0.01489 -0.02209 127 2PY -0.00003 -0.00919 0.04353 -0.01418 -0.06650 128 2PZ 0.00003 0.04376 0.04458 0.00149 -0.01001 129 3S -0.00085 0.03497 -0.00909 0.03220 0.17213 130 3PX 0.00162 0.00364 0.01821 0.00320 0.00225 131 3PY 0.00011 0.00018 0.01694 -0.00195 -0.01027 132 3PZ -0.00140 -0.00405 -0.02567 -0.00106 -0.00591 133 4XX -0.00012 0.00382 0.00644 -0.00140 -0.00970 134 4YY -0.00005 -0.00146 -0.00862 0.00137 0.00603 135 4ZZ -0.00006 -0.00073 0.00181 -0.00082 -0.00696 136 4XY -0.00002 -0.00224 -0.00612 -0.00011 -0.00064 137 4XZ 0.00008 -0.01130 -0.01155 0.00055 -0.00474 138 4YZ -0.00005 0.00084 0.00357 -0.00099 -0.00230 139 18 H 1S -0.00024 0.01251 0.01448 0.01509 0.06814 140 2S -0.00031 -0.00344 -0.00846 0.00254 0.01259 141 19 O 1S 0.00006 -0.13133 0.15235 0.00882 0.01420 142 2S 0.00029 0.28430 -0.33465 -0.02048 -0.03362 143 2PX 0.00002 0.02242 -0.03038 0.02008 0.12270 144 2PY 0.00000 0.08694 -0.06080 -0.00852 -0.03548 145 2PZ -0.00003 -0.00830 0.01424 -0.01175 -0.10847 146 3S -0.00180 0.28852 -0.35784 -0.02271 -0.03742 147 3PX -0.00051 0.00923 -0.02340 0.00988 0.05545 148 3PY -0.00019 0.05301 -0.03670 -0.00478 -0.01549 149 3PZ 0.00039 -0.00211 0.01097 -0.00502 -0.04938 150 4XX 0.00011 -0.00171 0.00000 0.00129 0.00396 151 4YY 0.00018 0.00722 0.00050 -0.00136 -0.00581 152 4ZZ 0.00016 -0.00460 0.00386 0.00017 0.00100 153 4XY -0.00004 0.00045 -0.00198 0.00195 0.01123 154 4XZ 0.00004 -0.00716 0.00771 -0.00022 -0.00387 155 4YZ 0.00003 0.00192 -0.00020 -0.00133 -0.01024 156 20 O 1S -0.00006 -0.13117 -0.15249 0.00884 0.01418 157 2S -0.00030 0.28394 0.33493 -0.02050 -0.03358 158 2PX -0.00002 0.02238 0.03038 0.02009 0.12266 159 2PY 0.00000 -0.08685 -0.06087 0.00856 0.03572 160 2PZ 0.00003 -0.00841 -0.01430 -0.01173 -0.10836 161 3S 0.00187 0.28814 0.35814 -0.02277 -0.03737 162 3PX 0.00053 0.00922 0.02342 0.00987 0.05543 163 3PY -0.00020 -0.05295 -0.03674 0.00480 0.01559 164 3PZ -0.00041 -0.00219 -0.01102 -0.00501 -0.04933 165 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 166 4YY -0.00019 0.00722 -0.00049 -0.00136 -0.00584 167 4ZZ -0.00016 -0.00460 -0.00388 0.00018 0.00103 168 4XY -0.00004 -0.00044 -0.00197 -0.00195 -0.01122 169 4XZ -0.00005 -0.00716 -0.00772 -0.00022 -0.00389 170 4YZ 0.00003 -0.00190 -0.00020 0.00132 0.01022 171 21 C 1S 0.00000 -0.08319 -0.00007 0.01835 0.11738 172 2S 0.00000 0.16015 0.00014 -0.03864 -0.24499 173 2PX 0.00000 0.06131 0.00003 -0.00171 0.01011 174 2PY -0.00002 0.00002 0.12748 -0.00002 0.00003 175 2PZ 0.00000 -0.05990 0.00008 0.00671 -0.00419 176 3S 0.00001 0.02856 0.00005 -0.02225 -0.17824 177 3PX 0.00000 -0.00867 -0.00001 0.00494 0.00892 178 3PY 0.00011 -0.00001 0.00620 0.00000 0.00002 179 3PZ 0.00000 0.01226 0.00002 -0.00136 -0.00931 180 4XX 0.00000 -0.00115 -0.00001 0.00107 0.00504 181 4YY 0.00000 0.00726 0.00004 -0.00129 -0.00324 182 4ZZ 0.00000 -0.00225 -0.00003 0.00059 0.00459 183 4XY 0.00000 0.00000 0.01756 0.00000 0.00001 184 4XZ 0.00000 -0.00959 0.00001 0.00019 -0.00357 185 4YZ -0.00001 0.00002 -0.01776 0.00000 -0.00001 186 22 H 1S 0.00000 0.02455 0.00002 -0.01042 -0.07732 187 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 188 23 H 1S 0.00000 0.02534 0.00002 -0.00826 -0.07517 189 2S 0.00000 -0.00229 -0.00001 0.00196 -0.01513 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60398 1 1 C 1S 0.00750 0.12444 -0.00051 0.00488 0.02268 2 2S -0.01423 -0.24080 0.00023 -0.01134 -0.04698 3 2PX -0.05830 -0.02704 -0.01391 -0.00120 -0.09493 4 2PY -0.01160 -0.00555 0.00030 -0.00297 -0.00541 5 2PZ 0.09023 -0.00673 -0.00705 -0.04276 0.13784 6 3S -0.01437 -0.21040 0.00801 -0.00054 -0.04364 7 3PX -0.00997 -0.00283 0.00009 -0.00201 -0.02376 8 3PY -0.00628 -0.00250 0.00510 0.00316 0.00095 9 3PZ 0.01542 0.00011 -0.00377 -0.01691 0.03505 10 4XX -0.00217 0.00701 -0.00029 0.00204 -0.00228 11 4YY -0.00063 0.00073 0.00012 -0.00009 -0.00082 12 4ZZ 0.00532 0.00138 -0.00010 -0.00213 0.00682 13 4XY -0.00504 -0.00334 -0.00124 0.00048 -0.00397 14 4XZ 0.00163 0.00666 0.00099 0.00147 0.00266 15 4YZ 0.00739 -0.00133 -0.00059 -0.00148 0.00523 16 2 H 1S -0.00153 -0.07838 0.00122 -0.00014 -0.01619 17 2S -0.00163 -0.01907 0.00016 0.00327 -0.00474 18 3 C 1S 0.10575 0.06438 0.01274 -0.00729 0.08062 19 2S -0.20546 -0.12801 -0.02553 0.01534 -0.16370 20 2PX 0.00709 0.04452 -0.01059 -0.00453 0.02121 21 2PY -0.05181 0.07816 -0.00822 -0.00954 0.10427 22 2PZ 0.01094 -0.03739 -0.00021 -0.00676 0.00049 23 3S -0.15238 -0.07282 -0.02499 0.00483 -0.12765 24 3PX -0.00250 -0.00658 -0.00271 0.00316 -0.00807 25 3PY -0.00492 0.02228 -0.00068 -0.00243 0.03749 26 3PZ 0.00883 0.01009 -0.00272 -0.00498 0.01709 27 4XX 0.00670 -0.00004 0.00186 0.00029 0.00146 28 4YY -0.00489 0.00641 -0.00089 -0.00069 0.00748 29 4ZZ 0.00601 -0.00096 0.00004 -0.00053 0.00056 30 4XY 0.00085 -0.00409 -0.00012 0.00033 -0.00110 31 4XZ 0.00472 0.00712 0.00106 -0.00002 0.00613 32 4YZ -0.00177 0.00270 -0.00031 0.00080 -0.00191 33 4 H 1S -0.06125 -0.03834 -0.01005 0.00877 -0.08120 34 2S -0.01269 -0.00261 -0.00389 0.00345 -0.02733 35 5 C 1S 0.10567 -0.06447 0.01275 0.00724 -0.08070 36 2S -0.20530 0.12818 -0.02555 -0.01523 0.16386 37 2PX 0.00702 -0.04464 -0.01060 0.00460 -0.02127 38 2PY 0.05190 0.07797 0.00820 -0.00968 0.10404 39 2PZ 0.01107 0.03747 -0.00022 0.00669 -0.00046 40 3S -0.15233 0.07294 -0.02509 -0.00473 0.12780 41 3PX -0.00247 0.00657 -0.00267 -0.00315 0.00805 42 3PY 0.00494 0.02229 0.00068 -0.00247 0.03748 43 3PZ 0.00881 -0.01007 -0.00276 0.00495 -0.01707 44 4XX 0.00670 0.00004 0.00186 -0.00029 -0.00146 45 4YY -0.00490 -0.00642 -0.00089 0.00069 -0.00747 46 4ZZ 0.00601 0.00096 0.00004 0.00053 -0.00057 47 4XY -0.00085 -0.00407 0.00012 0.00034 -0.00108 48 4XZ 0.00471 -0.00714 0.00107 0.00002 -0.00613 49 4YZ 0.00176 0.00267 0.00031 0.00080 -0.00193 50 6 H 1S -0.06120 0.03839 -0.01006 -0.00873 0.08127 51 2S -0.01269 0.00262 -0.00390 -0.00343 0.02735 52 7 C 1S 0.00739 -0.12445 -0.00047 -0.00476 -0.02260 53 2S -0.01403 0.24081 0.00014 0.01109 0.04682 54 2PX -0.05826 0.02716 -0.01395 0.00127 0.09490 55 2PY 0.01139 -0.00552 -0.00033 -0.00316 -0.00515 56 2PZ 0.09022 0.00671 -0.00716 0.04278 -0.13780 57 3S -0.01417 0.21046 0.00800 0.00031 0.04351 58 3PX -0.00996 0.00286 0.00010 0.00203 0.02376 59 3PY 0.00623 -0.00250 -0.00513 0.00309 0.00101 60 3PZ 0.01543 -0.00011 -0.00382 0.01692 -0.03504 61 4XX -0.00219 -0.00700 -0.00029 -0.00204 0.00230 62 4YY -0.00060 -0.00073 0.00012 0.00009 0.00080 63 4ZZ 0.00530 -0.00139 -0.00010 0.00214 -0.00681 64 4XY 0.00503 -0.00333 0.00124 0.00048 -0.00396 65 4XZ 0.00164 -0.00666 0.00100 -0.00147 -0.00269 66 4YZ -0.00739 -0.00133 0.00059 -0.00148 0.00524 67 8 H 1S -0.00146 0.07839 0.00119 -0.00001 0.01610 68 2S -0.00161 0.01907 0.00015 -0.00333 0.00471 69 9 C 1S -0.11133 -0.06707 0.00653 -0.03434 0.09317 70 2S 0.21423 0.13002 -0.01241 0.06898 -0.18929 71 2PX -0.00842 0.01547 -0.00763 0.00343 0.01269 72 2PY -0.03641 0.06535 0.00099 0.03471 -0.09507 73 2PZ 0.01718 -0.04143 -0.00618 0.00557 -0.02008 74 3S 0.18759 0.10770 -0.01237 0.06575 -0.17954 75 3PX -0.00518 0.00524 -0.00450 -0.00041 0.00931 76 3PY -0.00547 0.01784 -0.00002 0.00859 -0.03888 77 3PZ 0.00638 -0.00268 -0.00013 0.00281 -0.01639 78 4XX -0.00074 0.00076 0.00011 0.00151 -0.00477 79 4YY 0.00374 -0.00740 -0.00014 -0.00368 0.01016 80 4ZZ -0.00472 0.00512 0.00047 0.00010 0.00048 81 4XY -0.00067 0.00119 0.00021 0.00017 0.00149 82 4XZ 0.00195 -0.00236 0.00017 0.00002 -0.00246 83 4YZ 0.00144 -0.00347 0.00009 0.00087 -0.00254 84 10 H 1S 0.06843 0.04372 -0.00811 0.03307 -0.08666 85 2S 0.01613 0.00723 -0.00286 0.01302 -0.03159 86 11 H 1S 0.07059 0.04273 -0.00110 0.03080 -0.09334 87 2S 0.01291 0.00874 -0.00182 0.01474 -0.03178 88 12 C 1S -0.11129 0.06715 0.00644 0.03429 -0.09320 89 2S 0.21416 -0.13017 -0.01224 -0.06887 0.18935 90 2PX -0.00845 -0.01554 -0.00761 -0.00347 -0.01267 91 2PY 0.03641 0.06523 -0.00108 0.03481 -0.09508 92 2PZ 0.01726 0.04152 -0.00619 -0.00542 0.01996 93 3S 0.18755 -0.10785 -0.01216 -0.06564 0.17958 94 3PX -0.00518 -0.00525 -0.00450 0.00039 -0.00931 95 3PY 0.00547 0.01783 0.00000 0.00862 -0.03890 96 3PZ 0.00639 0.00271 -0.00014 -0.00276 0.01634 97 4XX -0.00074 -0.00076 0.00011 -0.00151 0.00477 98 4YY 0.00375 0.00741 -0.00015 0.00368 -0.01015 99 4ZZ -0.00473 -0.00513 0.00047 -0.00010 -0.00049 100 4XY 0.00066 0.00118 -0.00021 0.00017 0.00150 101 4XZ 0.00196 0.00236 0.00017 -0.00002 0.00247 102 4YZ -0.00142 -0.00344 -0.00009 0.00087 -0.00255 103 13 H 1S 0.07056 -0.04277 -0.00103 -0.03075 0.09335 104 2S 0.01290 -0.00873 -0.00180 -0.01473 0.03179 105 14 H 1S 0.06841 -0.04376 -0.00802 -0.03302 0.08669 106 2S 0.01612 -0.00724 -0.00283 -0.01300 0.03161 107 15 C 1S -0.00474 0.01213 -0.07232 -0.09549 -0.02249 108 2S 0.00925 -0.02336 0.14712 0.19694 0.04499 109 2PX -0.00303 -0.01221 0.08538 -0.03085 -0.01194 110 2PY 0.00303 0.01512 0.15614 -0.13069 -0.03064 111 2PZ 0.00727 -0.00041 -0.08045 -0.02006 0.00230 112 3S 0.00864 -0.02702 0.12841 0.18885 0.05483 113 3PX -0.00050 -0.00445 0.02248 0.00194 -0.00807 114 3PY -0.00015 -0.00039 0.02900 -0.02715 -0.00270 115 3PZ 0.00263 -0.00236 -0.01966 -0.01224 0.00726 116 4XX -0.00120 0.00037 -0.01418 -0.00291 -0.00136 117 4YY 0.00015 0.00102 0.00714 -0.00732 -0.00179 118 4ZZ 0.00048 0.00011 -0.00462 0.00003 0.00049 119 4XY 0.00019 0.00103 -0.00810 0.00478 0.00178 120 4XZ 0.00032 -0.00043 0.00621 -0.00762 -0.00190 121 4YZ 0.00006 -0.00039 0.00774 0.00423 0.00014 122 16 H 1S -0.00059 -0.01424 0.05351 0.11576 0.02285 123 2S -0.00152 -0.00616 0.01632 0.04777 0.01077 124 17 C 1S -0.00474 -0.01201 -0.07250 0.09533 0.02249 125 2S 0.00927 0.02311 0.14747 -0.19661 -0.04499 126 2PX -0.00303 0.01232 0.08522 0.03114 0.01201 127 2PY -0.00304 0.01520 -0.15574 -0.13088 -0.03057 128 2PZ 0.00727 0.00046 -0.08079 0.01968 -0.00238 129 3S 0.00867 0.02687 0.12879 -0.18860 -0.05483 130 3PX -0.00050 0.00447 0.02245 -0.00186 0.00809 131 3PY 0.00013 -0.00037 -0.02893 -0.02722 -0.00267 132 3PZ 0.00264 0.00237 -0.01971 0.01215 -0.00728 133 4XX -0.00120 -0.00036 -0.01420 0.00287 0.00136 134 4YY 0.00015 -0.00103 0.00715 0.00733 0.00180 135 4ZZ 0.00048 -0.00010 -0.00464 -0.00004 -0.00050 136 4XY -0.00019 0.00103 0.00807 0.00479 0.00178 137 4XZ 0.00033 0.00044 0.00622 0.00762 0.00190 138 4YZ -0.00006 -0.00039 -0.00770 0.00424 0.00014 139 18 H 1S -0.00058 0.01416 0.05369 -0.11558 -0.02282 140 2S -0.00151 0.00613 0.01640 -0.04769 -0.01075 141 19 O 1S 0.00234 -0.00715 0.07102 0.02556 0.00811 142 2S -0.00546 0.01657 -0.16565 -0.05899 -0.01850 143 2PX 0.01377 -0.01558 -0.07338 0.18527 0.05828 144 2PY -0.00428 0.00678 0.08875 -0.05628 -0.01756 145 2PZ -0.00318 0.00685 0.06677 -0.16882 -0.04084 146 3S -0.00821 0.02074 -0.22078 -0.08072 -0.03084 147 3PX 0.00676 -0.00719 -0.02858 0.08559 0.02717 148 3PY -0.00336 0.00378 0.04836 -0.02413 -0.00914 149 3PZ -0.00012 0.00256 0.02644 -0.07958 -0.01597 150 4XX 0.00056 -0.00102 -0.00023 0.00599 0.00168 151 4YY -0.00086 0.00046 0.01009 -0.00334 -0.00115 152 4ZZ 0.00012 -0.00029 0.00085 0.00283 0.00068 153 4XY 0.00114 -0.00053 -0.00147 0.00717 0.00216 154 4XZ 0.00033 0.00003 -0.00109 -0.00506 -0.00057 155 4YZ -0.00038 0.00036 0.00259 -0.00696 -0.00168 156 20 O 1S 0.00234 0.00716 0.07110 -0.02540 -0.00811 157 2S -0.00547 -0.01658 -0.16582 0.05862 0.01850 158 2PX 0.01378 0.01540 -0.07300 -0.18537 -0.05830 159 2PY 0.00429 0.00675 -0.08876 -0.05681 -0.01763 160 2PZ -0.00317 -0.00667 0.06622 0.16874 0.04080 161 3S -0.00823 -0.02077 -0.22105 0.08017 0.03083 162 3PX 0.00676 0.00710 -0.02843 -0.08562 -0.02718 163 3PY 0.00336 0.00376 -0.04834 -0.02438 -0.00915 164 3PZ -0.00012 -0.00247 0.02618 0.07953 0.01595 165 4XX 0.00056 0.00102 -0.00022 -0.00599 -0.00168 166 4YY -0.00086 -0.00045 0.01010 0.00338 0.00116 167 4ZZ 0.00012 0.00029 0.00085 -0.00284 -0.00068 168 4XY -0.00114 -0.00052 0.00146 0.00716 0.00216 169 4XZ 0.00032 -0.00003 -0.00110 0.00507 0.00057 170 4YZ 0.00038 0.00034 -0.00255 -0.00695 -0.00167 171 21 C 1S 0.00912 -0.00009 -0.12225 -0.00014 -0.00001 172 2S -0.01980 0.00019 0.25807 0.00030 0.00002 173 2PX 0.00441 -0.00002 -0.06485 -0.00013 -0.00003 174 2PY -0.00001 -0.01881 -0.00032 0.21591 0.06310 175 2PZ 0.00606 0.00000 0.06774 0.00030 0.00007 176 3S -0.01503 0.00015 0.24382 0.00029 0.00002 177 3PX 0.00668 -0.00001 -0.02134 -0.00004 -0.00001 178 3PY 0.00000 -0.00189 -0.00010 0.05678 0.01520 179 3PZ -0.00182 0.00001 0.02826 0.00009 0.00002 180 4XX 0.00069 0.00000 0.00235 0.00000 0.00000 181 4YY -0.00042 0.00000 -0.01362 0.00001 0.00001 182 4ZZ 0.00029 0.00000 0.00147 -0.00002 -0.00001 183 4XY 0.00000 -0.00129 -0.00002 0.01288 0.00324 184 4XZ 0.00007 0.00000 0.00553 0.00002 0.00001 185 4YZ 0.00000 0.00186 0.00000 -0.01405 -0.00447 186 22 H 1S -0.00771 0.00007 0.11585 0.00015 0.00001 187 2S 0.00021 0.00002 0.03819 0.00005 0.00001 188 23 H 1S -0.00191 0.00006 0.11587 0.00014 0.00001 189 2S 0.00653 0.00001 0.03556 0.00005 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58467 -0.53237 -0.51153 -0.49418 -0.47020 1 1 C 1S -0.10219 -0.01243 0.00596 0.00758 -0.06160 2 2S 0.20671 0.02606 -0.01136 -0.01798 0.12767 3 2PX -0.00356 0.00924 -0.04257 0.01422 -0.07378 4 2PY -0.07520 0.01892 -0.04305 0.19961 -0.11932 5 2PZ -0.00529 0.00865 -0.02152 0.01138 0.01959 6 3S 0.19334 0.02640 -0.01504 -0.01838 0.14634 7 3PX -0.00839 0.00954 -0.01709 -0.00488 -0.03064 8 3PY -0.03145 0.00910 -0.02106 0.08100 -0.04708 9 3PZ -0.00421 0.00264 -0.00590 0.01026 0.00075 10 4XX -0.00818 -0.00096 0.00300 0.00020 -0.00863 11 4YY 0.00403 0.00063 0.00064 -0.00238 0.01114 12 4ZZ -0.00854 -0.00206 0.00006 -0.00181 -0.00991 13 4XY 0.00040 0.00000 -0.00187 0.00216 -0.00005 14 4XZ 0.00002 -0.00128 -0.00078 0.00153 0.00499 15 4YZ 0.00152 -0.00002 -0.00103 -0.00081 0.00212 16 2 H 1S 0.11677 -0.00019 0.02005 -0.11153 0.13181 17 2S 0.05091 -0.00379 0.01347 -0.06814 0.08346 18 3 C 1S 0.05702 0.00372 -0.00461 0.00523 0.06954 19 2S -0.11524 -0.00608 0.00989 -0.00984 -0.14349 20 2PX -0.08930 -0.01931 0.02769 -0.11650 -0.06290 21 2PY -0.13470 -0.00268 -0.00741 0.12235 0.08200 22 2PZ 0.08840 0.03280 -0.05980 0.14418 0.07094 23 3S -0.10504 -0.01672 0.01742 -0.01922 -0.15377 24 3PX -0.02722 -0.00293 0.00622 -0.03704 -0.02735 25 3PY -0.02908 0.00142 -0.00402 0.03497 0.03354 26 3PZ 0.02889 0.00952 -0.01939 0.04672 0.03181 27 4XX 0.00702 0.00040 0.00076 0.00090 0.00319 28 4YY -0.00384 -0.00038 0.00100 -0.00205 0.00906 29 4ZZ 0.00294 0.00007 -0.00049 -0.00341 -0.00281 30 4XY 0.00456 0.00015 -0.00021 -0.00210 0.00785 31 4XZ -0.00045 -0.00054 0.00003 0.00131 0.00556 32 4YZ -0.00466 -0.00026 0.00027 0.00046 -0.00925 33 4 H 1S -0.06456 -0.01844 0.03460 -0.12049 -0.13842 34 2S -0.02740 -0.01177 0.02241 -0.08522 -0.08664 35 5 C 1S 0.05698 0.00368 -0.00453 0.00526 -0.06954 36 2S -0.11515 -0.00599 0.00972 -0.00990 0.14349 37 2PX -0.08945 -0.01931 0.02765 -0.11638 0.06285 38 2PY 0.13452 0.00266 0.00743 -0.12271 0.08222 39 2PZ 0.08859 0.03279 -0.05972 0.14395 -0.07080 40 3S -0.10506 -0.01671 0.01733 -0.01931 0.15382 41 3PX -0.02721 -0.00289 0.00616 -0.03700 0.02731 42 3PY 0.02906 -0.00141 0.00397 -0.03507 0.03363 43 3PZ 0.02888 0.00947 -0.01933 0.04666 -0.03172 44 4XX 0.00703 0.00040 0.00076 0.00090 -0.00321 45 4YY -0.00387 -0.00038 0.00101 -0.00204 -0.00902 46 4ZZ 0.00295 0.00007 -0.00049 -0.00342 0.00279 47 4XY -0.00455 -0.00014 0.00020 0.00210 0.00786 48 4XZ -0.00047 -0.00055 0.00003 0.00132 -0.00554 49 4YZ 0.00465 0.00026 -0.00026 -0.00046 -0.00927 50 6 H 1S -0.06451 -0.01839 0.03447 -0.12051 0.13843 51 2S -0.02740 -0.01176 0.02235 -0.08523 0.08666 52 7 C 1S -0.10222 -0.01243 0.00589 0.00757 0.06160 53 2S 0.20676 0.02605 -0.01121 -0.01797 -0.12765 54 2PX -0.00353 0.00933 -0.04277 0.01438 0.07396 55 2PY 0.07523 -0.01899 0.04310 -0.19956 -0.11914 56 2PZ -0.00519 0.00863 -0.02140 0.01104 -0.01974 57 3S 0.19347 0.02645 -0.01500 -0.01835 -0.14639 58 3PX -0.00838 0.00960 -0.01715 -0.00482 0.03071 59 3PY 0.03141 -0.00915 0.02113 -0.08104 -0.04699 60 3PZ -0.00416 0.00262 -0.00585 0.01011 -0.00080 61 4XX -0.00818 -0.00096 0.00299 0.00021 0.00863 62 4YY 0.00404 0.00063 0.00065 -0.00239 -0.01114 63 4ZZ -0.00855 -0.00206 0.00006 -0.00181 0.00992 64 4XY -0.00041 0.00000 0.00187 -0.00217 -0.00004 65 4XZ 0.00002 -0.00128 -0.00077 0.00152 -0.00499 66 4YZ -0.00149 0.00002 0.00103 0.00080 0.00206 67 8 H 1S 0.11680 -0.00023 0.02015 -0.11149 -0.13175 68 2S 0.05093 -0.00381 0.01351 -0.06809 -0.08342 69 9 C 1S 0.04255 0.00808 0.00684 0.00558 -0.04543 70 2S -0.08568 -0.01802 -0.01499 -0.01015 0.09132 71 2PX 0.02389 0.00212 -0.09664 0.03191 -0.00756 72 2PY 0.07748 0.00188 0.02332 -0.08411 0.03411 73 2PZ -0.10173 -0.03756 0.00527 -0.10176 0.10456 74 3S -0.08421 -0.01122 -0.01996 -0.02786 0.12225 75 3PX 0.00899 -0.00468 -0.04047 0.01510 -0.00719 76 3PY 0.02423 0.00043 0.00271 -0.03832 0.00861 77 3PZ -0.03479 -0.01450 -0.00663 -0.04016 0.04434 78 4XX -0.00235 -0.00083 0.00328 -0.00497 0.00642 79 4YY -0.00227 -0.00097 -0.00077 -0.00096 -0.00756 80 4ZZ 0.00760 0.00105 -0.00188 0.00214 -0.00293 81 4XY 0.00165 0.00026 -0.00068 -0.00075 -0.00125 82 4XZ -0.00377 -0.00097 -0.00063 -0.00322 0.00273 83 4YZ -0.00496 -0.00011 -0.00096 0.00327 0.00987 84 10 H 1S -0.04642 -0.01878 -0.03244 -0.04628 0.08458 85 2S -0.02137 -0.00973 -0.01514 -0.03113 0.05218 86 11 H 1S -0.04250 -0.01140 0.05532 -0.04768 0.06773 87 2S -0.01763 -0.01371 0.05145 -0.02207 0.03710 88 12 C 1S 0.04249 0.00808 0.00679 0.00556 0.04545 89 2S -0.08557 -0.01802 -0.01488 -0.01011 -0.09135 90 2PX 0.02399 0.00212 -0.09662 0.03187 0.00788 91 2PY -0.07736 -0.00182 -0.02342 0.08428 0.03417 92 2PZ -0.10183 -0.03755 0.00530 -0.10161 -0.10447 93 3S -0.08404 -0.01119 -0.01987 -0.02785 -0.12232 94 3PX 0.00903 -0.00468 -0.04044 0.01505 0.00733 95 3PY -0.02416 -0.00041 -0.00272 0.03839 0.00866 96 3PZ -0.03483 -0.01451 -0.00658 -0.04009 -0.04433 97 4XX -0.00234 -0.00082 0.00329 -0.00497 -0.00641 98 4YY -0.00229 -0.00097 -0.00078 -0.00095 0.00753 99 4ZZ 0.00761 0.00105 -0.00189 0.00213 0.00295 100 4XY -0.00165 -0.00026 0.00069 0.00075 -0.00127 101 4XZ -0.00379 -0.00097 -0.00062 -0.00323 -0.00274 102 4YZ 0.00493 0.00010 0.00095 -0.00328 0.00988 103 13 H 1S -0.04243 -0.01137 0.05540 -0.04760 -0.06780 104 2S -0.01760 -0.01371 0.05152 -0.02203 -0.03710 105 14 H 1S -0.04639 -0.01879 -0.03232 -0.04631 -0.08449 106 2S -0.02135 -0.00974 -0.01508 -0.03114 -0.05210 107 15 C 1S 0.00932 0.01086 -0.00407 -0.00035 -0.00590 108 2S -0.02070 -0.02179 0.00864 0.00106 0.01081 109 2PX 0.02348 -0.04645 0.05107 0.03430 0.05263 110 2PY -0.04763 0.19520 -0.06027 -0.03875 -0.01146 111 2PZ 0.00363 0.15399 0.06736 0.01074 -0.03799 112 3S -0.00954 -0.04429 0.01524 0.00641 0.01818 113 3PX 0.00744 -0.00764 0.02767 0.01435 0.01824 114 3PY -0.01396 0.06103 -0.01987 -0.01143 -0.00885 115 3PZ 0.00435 0.05095 0.03228 0.00443 -0.00582 116 4XX 0.00152 0.00174 -0.00692 -0.00151 -0.00274 117 4YY -0.00087 -0.00135 -0.00001 -0.00013 0.00110 118 4ZZ 0.00115 -0.00279 0.00728 0.00239 0.00126 119 4XY 0.00092 -0.00668 0.00442 0.00440 -0.00559 120 4XZ 0.00109 -0.00280 -0.00204 0.00094 0.00324 121 4YZ -0.00074 0.00165 -0.00111 -0.00030 0.00424 122 16 H 1S 0.00755 -0.12877 0.00471 0.00980 0.03709 123 2S 0.00584 -0.07793 0.00775 0.00250 0.02730 124 17 C 1S 0.00942 0.01090 -0.00409 -0.00037 0.00588 125 2S -0.02093 -0.02187 0.00865 0.00110 -0.01076 126 2PX 0.02362 -0.04628 0.05098 0.03419 -0.05261 127 2PY 0.04745 -0.19549 0.06009 0.03869 -0.01153 128 2PZ 0.00378 0.15355 0.06757 0.01092 0.03781 129 3S -0.00975 -0.04440 0.01537 0.00644 -0.01816 130 3PX 0.00748 -0.00761 0.02765 0.01430 -0.01824 131 3PY 0.01393 -0.06109 0.01977 0.01139 -0.00886 132 3PZ 0.00439 0.05083 0.03239 0.00448 0.00575 133 4XX 0.00153 0.00174 -0.00691 -0.00150 0.00273 134 4YY -0.00086 -0.00131 -0.00001 -0.00014 -0.00111 135 4ZZ 0.00115 -0.00282 0.00727 0.00239 -0.00124 136 4XY -0.00091 0.00671 -0.00442 -0.00441 -0.00558 137 4XZ 0.00111 -0.00279 -0.00206 0.00092 -0.00327 138 4YZ 0.00074 -0.00165 0.00110 0.00030 0.00424 139 18 H 1S 0.00738 -0.12875 0.00459 0.00971 -0.03696 140 2S 0.00576 -0.07793 0.00769 0.00246 -0.02720 141 19 O 1S -0.00786 0.02953 -0.00278 -0.01110 0.00412 142 2S 0.01891 -0.06742 0.00643 0.02494 -0.00875 143 2PX -0.00448 0.05357 0.16045 0.03331 -0.06324 144 2PY -0.02742 0.19860 -0.08025 -0.06943 0.01133 145 2PZ 0.00835 0.05748 0.12572 0.03152 0.05863 146 3S 0.02407 -0.09922 0.00702 0.04170 -0.02129 147 3PX -0.00452 0.03586 0.08928 0.01743 -0.03349 148 3PY -0.01589 0.11638 -0.04817 -0.04079 0.00380 149 3PZ 0.00525 0.02728 0.07610 0.01900 0.02982 150 4XX 0.00144 -0.00629 0.00441 0.00253 0.00039 151 4YY -0.00199 0.01677 -0.00728 -0.00597 0.00108 152 4ZZ 0.00066 -0.00842 0.00326 0.00175 0.00075 153 4XY -0.00204 0.01179 0.00815 0.00046 -0.00280 154 4XZ -0.00007 0.00512 0.00055 -0.00080 -0.00002 155 4YZ 0.00148 -0.00141 0.01118 0.00381 0.00236 156 20 O 1S -0.00788 0.02952 -0.00278 -0.01110 -0.00416 157 2S 0.01896 -0.06740 0.00643 0.02495 0.00883 158 2PX -0.00477 0.05341 0.16041 0.03341 0.06338 159 2PY 0.02731 -0.19861 0.08001 0.06934 0.01160 160 2PZ 0.00870 0.05723 0.12581 0.03151 -0.05838 161 3S 0.02414 -0.09920 0.00698 0.04172 0.02147 162 3PX -0.00466 0.03578 0.08923 0.01748 0.03358 163 3PY 0.01584 -0.11637 0.04803 0.04073 0.00394 164 3PZ 0.00542 0.02712 0.07615 0.01900 -0.02968 165 4XX 0.00143 -0.00629 0.00441 0.00253 -0.00040 166 4YY -0.00198 0.01675 -0.00724 -0.00595 -0.00111 167 4ZZ 0.00065 -0.00841 0.00323 0.00173 -0.00073 168 4XY 0.00205 -0.01180 -0.00815 -0.00047 -0.00281 169 4XZ -0.00006 0.00510 0.00054 -0.00080 0.00001 170 4YZ -0.00150 0.00146 -0.01120 -0.00382 0.00234 171 21 C 1S -0.00096 0.01077 -0.00553 0.00027 0.00001 172 2S 0.00285 -0.02344 0.00836 -0.00202 -0.00002 173 2PX -0.01561 0.22011 0.14683 0.00042 0.00021 174 2PY 0.00017 0.00018 -0.00028 -0.00016 -0.07079 175 2PZ 0.00731 -0.07968 0.30145 0.09947 0.00018 176 3S 0.00473 -0.04138 0.02723 0.00853 -0.00001 177 3PX -0.00844 0.08450 0.07297 0.00354 0.00008 178 3PY 0.00005 0.00006 -0.00012 -0.00007 -0.02804 179 3PZ 0.00408 -0.01923 0.11946 0.04301 0.00008 180 4XX -0.00055 0.00015 -0.00212 -0.00084 -0.00001 181 4YY 0.00114 0.00245 -0.00482 -0.00048 0.00000 182 4ZZ -0.00099 0.00008 0.00615 0.00098 0.00001 183 4XY 0.00001 0.00001 -0.00001 -0.00001 -0.00227 184 4XZ 0.00164 -0.01454 0.00685 0.00449 0.00000 185 4YZ -0.00001 0.00000 -0.00002 0.00000 0.00290 186 22 H 1S 0.00689 -0.10831 -0.09039 -0.00871 -0.00014 187 2S 0.00243 -0.06407 -0.05006 -0.00281 -0.00010 188 23 H 1S 0.00036 -0.03001 0.17195 0.04819 0.00014 189 2S -0.00426 -0.02517 0.10560 0.02521 0.00009 26 27 28 29 30 O O O O O Eigenvalues -- -0.44672 -0.44355 -0.44106 -0.40558 -0.39790 1 1 C 1S -0.02375 0.00076 0.00389 -0.00058 -0.02738 2 2S 0.04997 0.00063 -0.00763 0.00097 0.06305 3 2PX 0.01254 0.10544 0.03937 -0.12518 0.10074 4 2PY -0.02925 -0.01594 0.00080 -0.03562 0.25438 5 2PZ 0.02251 -0.00112 -0.04120 0.23686 0.03150 6 3S 0.05780 -0.01212 -0.01674 0.01210 0.09505 7 3PX 0.00334 0.04405 0.01131 -0.03651 0.04759 8 3PY -0.00945 -0.01964 -0.00852 -0.00723 0.07516 9 3PZ 0.02117 0.00490 -0.01298 0.08432 0.01016 10 4XX -0.00268 0.00006 -0.00022 -0.00440 0.00056 11 4YY 0.00332 -0.00146 -0.00080 0.00260 -0.01168 12 4ZZ -0.00431 0.00115 0.00157 0.00350 0.00278 13 4XY 0.00060 0.00365 0.00091 -0.00122 0.00320 14 4XZ -0.00066 0.00388 0.00244 0.00453 0.00024 15 4YZ 0.00095 0.00052 -0.00121 0.00457 -0.00082 16 2 H 1S 0.03819 0.00171 -0.00451 0.02010 -0.13988 17 2S 0.02415 -0.00296 -0.00591 0.01921 -0.14218 18 3 C 1S 0.01119 -0.00131 0.00259 0.00503 -0.00674 19 2S -0.02092 0.00239 -0.00791 -0.01051 0.01764 20 2PX -0.01408 0.00944 -0.03104 0.15433 -0.12077 21 2PY 0.01077 -0.05738 -0.03605 0.19653 0.01482 22 2PZ 0.03558 0.05785 0.01680 -0.07682 0.16405 23 3S -0.03568 0.00549 0.00328 -0.01427 0.02549 24 3PX 0.00025 0.00840 -0.01598 0.06150 -0.01622 25 3PY -0.00473 -0.01738 -0.01234 0.07225 0.03694 26 3PZ 0.01241 0.02809 0.00606 -0.02506 0.03671 27 4XX -0.00011 -0.00217 0.00088 -0.00437 0.00155 28 4YY 0.00215 -0.00039 -0.00116 0.00309 -0.00774 29 4ZZ 0.00008 0.00265 -0.00010 0.00260 0.00083 30 4XY 0.00199 0.00171 0.00027 -0.00084 0.00671 31 4XZ 0.00022 -0.00064 0.00069 0.00131 -0.00155 32 4YZ -0.00367 -0.00010 -0.00048 0.00075 -0.01098 33 4 H 1S -0.03403 -0.00309 -0.00884 0.01624 -0.11245 34 2S -0.02853 -0.00126 -0.00543 0.01606 -0.10973 35 5 C 1S -0.01122 -0.00112 0.00258 0.00506 0.00674 36 2S 0.02101 0.00204 -0.00790 -0.01057 -0.01764 37 2PX 0.01426 0.00916 -0.03106 0.15430 0.12119 38 2PY 0.01121 0.05712 0.03599 -0.19631 0.01501 39 2PZ -0.03497 0.05836 0.01666 -0.07675 -0.16407 40 3S 0.03570 0.00492 0.00339 -0.01441 -0.02556 41 3PX -0.00009 0.00835 -0.01604 0.06155 0.01636 42 3PY -0.00462 0.01739 0.01223 -0.07220 0.03690 43 3PZ -0.01212 0.02827 0.00601 -0.02510 -0.03665 44 4XX 0.00008 -0.00217 0.00089 -0.00438 -0.00158 45 4YY -0.00214 -0.00036 -0.00117 0.00309 0.00778 46 4ZZ -0.00007 0.00265 -0.00011 0.00260 -0.00084 47 4XY 0.00197 -0.00175 -0.00026 0.00081 0.00670 48 4XZ -0.00022 -0.00064 0.00069 0.00131 0.00157 49 4YZ -0.00368 0.00014 0.00046 -0.00072 -0.01096 50 6 H 1S 0.03399 -0.00358 -0.00874 0.01593 0.11255 51 2S 0.02850 -0.00165 -0.00532 0.01578 0.10985 52 7 C 1S 0.02373 0.00046 0.00402 -0.00061 0.02735 53 2S -0.04991 0.00126 -0.00788 0.00103 -0.06299 54 2PX -0.01164 0.10551 0.03923 -0.12505 -0.10125 55 2PY -0.02915 0.01671 -0.00077 0.03486 0.25429 56 2PZ -0.02246 -0.00094 -0.04142 0.23682 -0.03062 57 3S -0.05785 -0.01138 -0.01706 0.01224 -0.09496 58 3PX -0.00293 0.04406 0.01128 -0.03644 -0.04775 59 3PY -0.00927 0.01989 0.00855 0.00698 0.07514 60 3PZ -0.02113 0.00513 -0.01315 0.08431 -0.00993 61 4XX 0.00268 0.00003 -0.00021 -0.00441 -0.00057 62 4YY -0.00333 -0.00141 -0.00082 0.00260 0.01170 63 4ZZ 0.00431 0.00107 0.00160 0.00349 -0.00279 64 4XY 0.00057 -0.00366 -0.00091 0.00119 0.00320 65 4XZ 0.00069 0.00388 0.00245 0.00456 -0.00024 66 4YZ 0.00092 -0.00053 0.00122 -0.00456 -0.00080 67 8 H 1S -0.03819 0.00241 -0.00465 0.01999 0.13987 68 2S -0.02419 -0.00247 -0.00599 0.01909 0.14214 69 9 C 1S -0.01408 0.00527 0.00039 0.00002 0.00884 70 2S 0.03005 -0.01164 -0.00040 0.00170 -0.01669 71 2PX -0.01703 0.22962 0.07270 0.12348 -0.12746 72 2PY 0.01119 0.01023 -0.01419 0.14031 0.01412 73 2PZ 0.04288 0.10526 0.07150 -0.15611 0.07820 74 3S 0.04056 -0.01739 -0.00825 0.00245 -0.05372 75 3PX 0.00269 0.10347 0.03535 0.05633 -0.06031 76 3PY 0.00918 -0.00086 -0.01004 0.06583 0.03110 77 3PZ 0.02068 0.04017 0.02591 -0.07061 0.02675 78 4XX 0.00244 -0.00088 0.00018 -0.00463 0.00344 79 4YY -0.00213 -0.00100 0.00008 -0.00205 0.00505 80 4ZZ -0.00059 0.00331 0.00082 0.00507 -0.00687 81 4XY -0.00148 0.00303 0.00087 0.00124 -0.00780 82 4XZ 0.00136 0.00828 0.00354 0.00201 0.00164 83 4YZ 0.00352 0.00009 0.00058 -0.00273 0.00143 84 10 H 1S 0.02627 0.12761 0.05400 0.01227 -0.02421 85 2S 0.01241 0.10021 0.04358 0.00927 -0.01508 86 11 H 1S 0.03129 -0.09976 -0.02805 -0.06374 0.08252 87 2S 0.02265 -0.06382 -0.00939 -0.04924 0.07449 88 12 C 1S 0.01413 0.00505 0.00046 0.00003 -0.00886 89 2S -0.03016 -0.01118 -0.00057 0.00168 0.01675 90 2PX 0.01892 0.22936 0.07274 0.12349 0.12741 91 2PY 0.01120 -0.01045 0.01418 -0.14002 0.01439 92 2PZ -0.04215 0.10590 0.07129 -0.15631 -0.07862 93 3S -0.04067 -0.01674 -0.00849 0.00238 0.05387 94 3PX -0.00185 0.10348 0.03531 0.05634 0.06029 95 3PY 0.00922 0.00075 0.01010 -0.06573 0.03119 96 3PZ -0.02041 0.04049 0.02579 -0.07072 -0.02689 97 4XX -0.00244 -0.00087 0.00016 -0.00463 -0.00345 98 4YY 0.00211 -0.00104 0.00009 -0.00205 -0.00505 99 4ZZ 0.00063 0.00332 0.00083 0.00507 0.00687 100 4XY -0.00151 -0.00302 -0.00088 -0.00124 -0.00779 101 4XZ -0.00131 0.00828 0.00353 0.00199 -0.00169 102 4YZ 0.00352 -0.00015 -0.00056 0.00272 0.00141 103 13 H 1S -0.03210 -0.09937 -0.02825 -0.06363 -0.08255 104 2S -0.02320 -0.06355 -0.00949 -0.04913 -0.07455 105 14 H 1S -0.02532 0.12795 0.05384 0.01212 0.02390 106 2S -0.01168 0.10038 0.04352 0.00916 0.01479 107 15 C 1S 0.04328 -0.00873 0.00374 -0.00429 -0.00570 108 2S -0.08656 0.02345 -0.01102 0.00802 0.00803 109 2PX -0.13466 -0.09359 0.13079 0.02795 -0.01151 110 2PY 0.07204 -0.02245 0.00137 0.01154 -0.00298 111 2PZ 0.20165 0.02924 -0.16307 -0.02579 -0.02567 112 3S -0.13900 0.00936 -0.01309 0.01672 0.04796 113 3PX -0.03600 -0.03395 0.04714 0.00533 -0.00379 114 3PY 0.00515 -0.00616 0.00336 -0.00035 0.01910 115 3PZ 0.05327 0.00364 -0.06029 -0.00698 -0.01618 116 4XX 0.01110 -0.00035 -0.00654 -0.00394 0.00161 117 4YY -0.00180 -0.00044 0.00229 0.00138 -0.00151 118 4ZZ -0.00425 -0.00119 0.00648 0.00175 -0.00183 119 4XY 0.01351 0.00062 -0.00446 -0.00022 0.00120 120 4XZ -0.00596 -0.00533 0.00271 0.00138 0.00024 121 4YZ -0.02189 -0.00195 0.00443 0.00010 0.00321 122 16 H 1S -0.19015 -0.00892 0.08882 0.01434 0.01403 123 2S -0.14854 -0.01028 0.07220 0.00763 0.00347 124 17 C 1S -0.04340 -0.00823 0.00341 -0.00434 0.00573 125 2S 0.08690 0.02242 -0.01035 0.00811 -0.00810 126 2PX 0.13240 -0.09511 0.13170 0.02801 0.01130 127 2PY 0.07279 0.02159 -0.00052 -0.01143 -0.00230 128 2PZ -0.20011 0.03145 -0.16469 -0.02599 0.02533 129 3S 0.13920 0.00776 -0.01200 0.01694 -0.04809 130 3PX 0.03522 -0.03435 0.04741 0.00533 0.00367 131 3PY 0.00539 0.00615 -0.00324 0.00031 0.01927 132 3PZ -0.05285 0.00423 -0.06073 -0.00700 0.01609 133 4XX -0.01108 -0.00022 -0.00664 -0.00396 -0.00159 134 4YY 0.00184 -0.00046 0.00231 0.00138 0.00147 135 4ZZ 0.00415 -0.00124 0.00651 0.00176 0.00187 136 4XY 0.01343 -0.00076 0.00455 0.00022 0.00123 137 4XZ 0.00593 -0.00540 0.00278 0.00139 -0.00026 138 4YZ -0.02182 0.00219 -0.00461 -0.00012 0.00319 139 18 H 1S 0.18939 -0.01099 0.09028 0.01451 -0.01367 140 2S 0.14788 -0.01191 0.07337 0.00779 -0.00314 141 19 O 1S -0.01663 0.01275 -0.02341 -0.00421 -0.00040 142 2S 0.03618 -0.02848 0.05177 0.00898 0.00272 143 2PX 0.20333 0.12752 -0.15309 -0.02083 -0.04585 144 2PY -0.02965 0.00100 0.02207 -0.01400 0.02147 145 2PZ -0.12271 -0.05180 0.18922 0.04663 -0.05303 146 3S 0.08666 -0.04993 0.10509 0.01788 -0.00152 147 3PX 0.10976 0.07105 -0.08024 -0.01158 -0.03274 148 3PY -0.00781 0.00904 0.00831 -0.00967 0.01305 149 3PZ -0.05932 -0.02936 0.10547 0.03035 -0.03693 150 4XX 0.00012 0.00066 -0.00830 -0.00066 -0.00101 151 4YY -0.00227 0.00030 0.00205 -0.00072 0.00159 152 4ZZ -0.00537 0.00304 -0.00040 -0.00006 0.00122 153 4XY 0.00864 0.00640 -0.00491 -0.00083 -0.00145 154 4XZ 0.00197 -0.00354 0.00344 0.00036 -0.00144 155 4YZ -0.00514 -0.00041 0.00947 0.00241 -0.00199 156 20 O 1S 0.01696 0.01254 -0.02325 -0.00417 0.00052 157 2S -0.03690 -0.02803 0.05143 0.00892 -0.00296 158 2PX -0.20064 0.12976 -0.15479 -0.02103 0.04587 159 2PY -0.02964 -0.00040 -0.02292 0.01377 0.02069 160 2PZ 0.12058 -0.05311 0.18995 0.04672 0.05289 161 3S -0.08807 -0.04885 0.10425 0.01770 0.00095 162 3PX -0.10831 0.07227 -0.08118 -0.01171 0.03276 163 3PY -0.00790 -0.00881 -0.00871 0.00954 0.01257 164 3PZ 0.05816 -0.03001 0.10581 0.03040 0.03683 165 4XX -0.00005 0.00066 -0.00831 -0.00066 0.00100 166 4YY 0.00227 0.00027 0.00212 -0.00070 -0.00153 167 4ZZ 0.00540 0.00298 -0.00038 -0.00005 -0.00121 168 4XY 0.00853 -0.00648 0.00497 0.00084 -0.00145 169 4XZ -0.00202 -0.00353 0.00343 0.00036 0.00144 170 4YZ -0.00507 0.00046 -0.00950 -0.00241 -0.00199 171 21 C 1S -0.00021 -0.01983 0.02043 -0.00013 -0.00005 172 2S 0.00044 0.04352 -0.04013 0.00101 0.00013 173 2PX -0.00108 0.00892 0.29897 0.03912 0.00032 174 2PY 0.19147 -0.00130 0.00093 0.00011 -0.00995 175 2PZ 0.00176 0.19832 -0.06935 0.01121 -0.00009 176 3S 0.00055 0.05137 -0.05413 0.00647 0.00014 177 3PX -0.00044 -0.00565 0.10989 0.00773 0.00014 178 3PY 0.08923 -0.00060 0.00040 0.00003 0.00178 179 3PZ 0.00071 0.08657 -0.01962 0.01499 -0.00004 180 4XX 0.00010 0.00313 -0.02269 -0.00375 -0.00001 181 4YY -0.00020 -0.01635 0.02992 0.00468 -0.00001 182 4ZZ 0.00010 0.01230 -0.00794 -0.00148 0.00002 183 4XY 0.00391 -0.00002 0.00001 0.00000 0.00211 184 4XZ 0.00004 0.00182 -0.00457 0.00025 -0.00001 185 4YZ -0.00850 0.00002 0.00000 0.00000 0.00433 186 22 H 1S 0.00072 0.00142 -0.19582 -0.02667 -0.00013 187 2S 0.00048 -0.00861 -0.14788 -0.02502 -0.00013 188 23 H 1S 0.00100 0.12923 -0.03841 0.00244 0.00005 189 2S 0.00066 0.07776 -0.03204 -0.01649 0.00003 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38414 -0.37327 -0.35526 -0.34881 1 1 C 1S -0.00335 -0.00253 -0.00621 0.00443 -0.00776 2 2S 0.00573 0.00649 0.01851 -0.01277 0.01949 3 2PX 0.00229 -0.01316 -0.05232 0.01293 0.09589 4 2PY -0.01316 0.05022 0.13676 -0.05868 0.02120 5 2PZ 0.01540 0.03910 -0.03070 0.01243 0.06721 6 3S 0.01600 0.01071 -0.01232 0.01655 0.01467 7 3PX 0.00148 0.01043 -0.05377 0.02935 0.05670 8 3PY -0.00482 0.00964 0.01680 -0.00958 0.00985 9 3PZ 0.00693 -0.01472 -0.01452 0.00016 0.04220 10 4XX -0.00094 0.00036 0.00515 -0.00166 0.00137 11 4YY 0.00198 -0.00348 -0.00663 0.00266 -0.00410 12 4ZZ -0.00151 0.00078 0.00025 0.00011 -0.00217 13 4XY 0.00434 -0.00588 -0.00127 0.00024 0.00136 14 4XZ -0.00133 -0.00139 -0.00402 0.00236 -0.00623 15 4YZ -0.00222 0.01021 -0.00124 0.00048 0.00249 16 2 H 1S 0.01401 -0.03201 -0.07864 0.03236 -0.02004 17 2S 0.01029 -0.03582 -0.08718 0.02910 -0.02216 18 3 C 1S -0.00998 0.01764 -0.01085 0.00564 -0.00509 19 2S 0.02441 -0.04018 0.02199 -0.00838 0.01104 20 2PX -0.02164 0.07904 -0.05001 0.02577 0.06484 21 2PY 0.11426 -0.19118 0.00063 0.00067 -0.08217 22 2PZ 0.06193 -0.09365 0.01760 -0.01640 0.08531 23 3S 0.01827 -0.06650 0.07775 -0.05449 0.01043 24 3PX -0.00344 0.03128 -0.03148 0.02522 0.04003 25 3PY 0.03852 -0.05037 0.01262 -0.00296 -0.03214 26 3PZ 0.02355 -0.02983 0.01982 -0.01912 0.04531 27 4XX -0.00311 0.00315 0.00320 -0.00085 -0.00326 28 4YY 0.00326 -0.00571 -0.00484 0.00223 -0.00106 29 4ZZ -0.00360 0.00916 -0.00062 0.00078 0.00378 30 4XY 0.00092 -0.00115 0.00198 -0.00124 0.00182 31 4XZ 0.00265 -0.00609 -0.00204 0.00114 -0.00289 32 4YZ -0.00074 0.00278 0.00017 0.00078 0.00156 33 4 H 1S -0.06096 0.11479 -0.01203 0.01064 0.01684 34 2S -0.05765 0.11970 -0.00976 0.00873 0.01669 35 5 C 1S -0.00999 0.01763 0.01081 -0.00560 -0.00513 36 2S 0.02443 -0.04015 -0.02192 0.00830 0.01110 37 2PX -0.02182 0.07868 0.05005 -0.02606 0.06463 38 2PY -0.11440 0.19138 0.00076 0.00024 0.08211 39 2PZ 0.06223 -0.09305 -0.01732 0.01592 0.08561 40 3S 0.01840 -0.06649 -0.07763 0.05443 0.01072 41 3PX -0.00346 0.03122 0.03151 -0.02542 0.03989 42 3PY -0.03873 0.05040 0.01273 -0.00315 0.03212 43 3PZ 0.02366 -0.02967 -0.01967 0.01886 0.04551 44 4XX -0.00311 0.00315 -0.00322 0.00087 -0.00326 45 4YY 0.00325 -0.00571 0.00485 -0.00224 -0.00107 46 4ZZ -0.00360 0.00915 0.00062 -0.00080 0.00377 47 4XY -0.00095 0.00115 0.00196 -0.00122 -0.00182 48 4XZ 0.00264 -0.00609 0.00205 -0.00113 -0.00291 49 4YZ 0.00079 -0.00279 0.00018 0.00079 -0.00156 50 6 H 1S -0.06128 0.11459 0.01197 -0.01069 0.01675 51 2S -0.05793 0.11950 0.00969 -0.00879 0.01661 52 7 C 1S -0.00342 -0.00259 0.00624 -0.00440 -0.00780 53 2S 0.00590 0.00661 -0.01856 0.01271 0.01959 54 2PX 0.00271 -0.01284 0.05244 -0.01335 0.09607 55 2PY 0.01262 -0.05057 0.13681 -0.05858 -0.02145 56 2PZ 0.01557 0.03911 0.03095 -0.01278 0.06742 57 3S 0.01612 0.01091 0.01217 -0.01660 0.01463 58 3PX 0.00169 0.01059 0.05388 -0.02964 0.05664 59 3PY 0.00478 -0.00969 0.01686 -0.00962 -0.00987 60 3PZ 0.00691 -0.01469 0.01459 -0.00033 0.04231 61 4XX -0.00094 0.00034 -0.00514 0.00164 0.00136 62 4YY 0.00195 -0.00345 0.00662 -0.00264 -0.00411 63 4ZZ -0.00150 0.00075 -0.00027 -0.00009 -0.00218 64 4XY -0.00436 0.00588 -0.00129 0.00026 -0.00134 65 4XZ -0.00133 -0.00136 0.00401 -0.00233 -0.00625 66 4YZ 0.00223 -0.01023 -0.00121 0.00048 -0.00250 67 8 H 1S 0.01372 -0.03215 0.07866 -0.03227 -0.02014 68 2S 0.00994 -0.03598 0.08720 -0.02894 -0.02226 69 9 C 1S 0.00304 -0.02069 0.00250 -0.00129 -0.00271 70 2S -0.00754 0.04517 0.00032 0.00384 0.00791 71 2PX -0.08102 0.04555 0.15594 -0.08120 -0.08083 72 2PY 0.07387 -0.21880 0.01067 -0.00272 0.04213 73 2PZ 0.00721 -0.16447 0.09244 -0.04248 -0.06578 74 3S -0.00358 0.08488 -0.04626 -0.00040 -0.00109 75 3PX -0.03261 0.01877 0.06140 -0.02232 -0.03265 76 3PY 0.03459 -0.09028 0.04187 -0.01349 0.01863 77 3PZ 0.01603 -0.08321 0.06038 -0.02678 -0.02508 78 4XX 0.00434 -0.01049 -0.00121 0.00086 0.00329 79 4YY -0.00171 0.00682 0.00235 -0.00078 -0.00059 80 4ZZ -0.00109 -0.00218 0.00011 -0.00013 -0.00285 81 4XY -0.00071 0.00054 0.01121 -0.00584 -0.00004 82 4XZ -0.00448 -0.00225 0.00668 -0.00430 -0.00979 83 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00003 84 10 H 1S -0.02000 -0.07957 0.11104 -0.05637 -0.05841 85 2S -0.02528 -0.07521 0.09573 -0.05349 -0.06198 86 11 H 1S 0.06075 -0.08571 -0.08460 0.04632 0.05432 87 2S 0.04157 -0.08625 -0.09754 0.06843 0.05686 88 12 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00274 89 2S -0.00755 0.04515 -0.00038 -0.00386 0.00795 90 2PX -0.08141 0.04494 -0.15613 0.08163 -0.08054 91 2PY -0.07395 0.21907 0.01023 -0.00241 -0.04208 92 2PZ 0.00718 -0.16410 -0.09247 0.04279 -0.06545 93 3S -0.00382 0.08484 0.04617 0.00041 -0.00094 94 3PX -0.03287 0.01853 -0.06147 0.02248 -0.03267 95 3PY -0.03473 0.09040 0.04173 -0.01339 -0.01871 96 3PZ 0.01614 -0.08308 -0.06034 0.02688 -0.02480 97 4XX 0.00435 -0.01048 0.00124 -0.00089 0.00330 98 4YY -0.00170 0.00682 -0.00237 0.00079 -0.00059 99 4ZZ -0.00111 -0.00221 -0.00012 0.00015 -0.00286 100 4XY 0.00075 -0.00051 0.01122 -0.00585 0.00004 101 4XZ -0.00446 -0.00228 -0.00668 0.00434 -0.00976 102 4YZ 0.00023 0.00024 0.00379 -0.00185 0.00001 103 13 H 1S 0.06100 -0.08531 0.08493 -0.04668 0.05425 104 2S 0.04171 -0.08589 0.09789 -0.06880 0.05654 105 14 H 1S -0.02010 -0.07989 -0.11102 0.05662 -0.05806 106 2S -0.02537 -0.07549 -0.09571 0.05376 -0.06169 107 15 C 1S 0.01686 0.00693 -0.01728 -0.03096 -0.00038 108 2S -0.03761 -0.01687 0.03515 0.07038 0.00375 109 2PX -0.11954 -0.02812 0.05562 -0.07392 -0.12412 110 2PY -0.23103 -0.11823 -0.00814 0.00324 0.18262 111 2PZ -0.09972 -0.03293 0.08243 0.04502 -0.12748 112 3S -0.05873 -0.02338 0.07139 0.10616 0.00188 113 3PX -0.05940 -0.01759 0.05557 0.00886 -0.08671 114 3PY -0.05959 -0.02879 0.01931 0.05213 0.05873 115 3PZ -0.04600 -0.00576 0.03759 -0.01227 -0.08095 116 4XX 0.01016 0.00358 -0.00614 0.00542 0.00042 117 4YY -0.00910 -0.00439 -0.00393 -0.01153 0.00542 118 4ZZ 0.00694 0.00474 0.00788 0.00277 -0.00899 119 4XY -0.00676 -0.00171 -0.00604 -0.00328 -0.00188 120 4XZ -0.00734 -0.00270 -0.00250 -0.00901 0.00646 121 4YZ 0.00405 0.00260 -0.00414 0.00351 -0.00617 122 16 H 1S 0.10330 0.05192 -0.00698 0.00530 -0.04084 123 2S 0.09584 0.05550 -0.01360 -0.00953 -0.05602 124 17 C 1S 0.01693 0.00694 0.01727 0.03094 -0.00018 125 2S -0.03776 -0.01691 -0.03512 -0.07034 0.00330 126 2PX -0.11957 -0.02819 -0.05562 0.07473 -0.12373 127 2PY 0.23123 0.11830 -0.00858 0.00387 -0.18234 128 2PZ -0.09942 -0.03286 -0.08246 -0.04445 -0.12789 129 3S -0.05900 -0.02342 -0.07134 -0.10616 0.00132 130 3PX -0.05942 -0.01765 -0.05559 -0.00833 -0.08675 131 3PY 0.05981 0.02882 0.01924 0.05227 -0.05853 132 3PZ -0.04599 -0.00576 -0.03757 0.01270 -0.08084 133 4XX 0.01016 0.00359 0.00610 -0.00544 0.00037 134 4YY -0.00909 -0.00439 0.00396 0.01150 0.00545 135 4ZZ 0.00694 0.00473 -0.00790 -0.00272 -0.00895 136 4XY 0.00673 0.00169 -0.00605 -0.00332 0.00188 137 4XZ -0.00730 -0.00268 0.00250 0.00899 0.00649 138 4YZ -0.00409 -0.00263 -0.00410 0.00352 0.00623 139 18 H 1S 0.10335 0.05196 0.00686 -0.00521 -0.04074 140 2S 0.09581 0.05554 0.01344 0.00969 -0.05579 141 19 O 1S 0.03756 0.01426 0.01753 0.03613 -0.01833 142 2S -0.07472 -0.02610 -0.03950 -0.07273 0.03578 143 2PX 0.04365 0.02405 0.17531 0.06762 -0.13874 144 2PY 0.20934 0.08352 0.09654 0.41192 -0.10509 145 2PZ -0.11664 -0.03154 0.20978 -0.03265 -0.09840 146 3S -0.17882 -0.07437 -0.06314 -0.13346 0.08421 147 3PX 0.02999 0.01458 0.12779 0.04969 -0.09605 148 3PY 0.12871 0.05043 0.06148 0.27497 -0.06856 149 3PZ -0.07687 -0.02147 0.13971 -0.02339 -0.06064 150 4XX -0.00403 -0.00040 0.00513 -0.00059 -0.01005 151 4YY 0.01544 0.00641 0.00345 0.02030 -0.00693 152 4ZZ 0.00532 0.00242 -0.00344 -0.00184 0.00747 153 4XY 0.00010 -0.00002 0.00860 0.00813 -0.00210 154 4XZ -0.00067 -0.00041 0.00243 -0.00198 -0.00135 155 4YZ -0.00248 0.00082 0.00772 -0.00312 -0.00644 156 20 O 1S 0.03748 0.01423 -0.01760 -0.03613 -0.01848 157 2S -0.07456 -0.02602 0.03964 0.07275 0.03609 158 2PX 0.04365 0.02382 -0.17532 -0.06738 -0.13841 159 2PY -0.20852 -0.08323 0.09729 0.41170 0.10699 160 2PZ -0.11716 -0.03200 -0.20943 0.03401 -0.09738 161 3S -0.17847 -0.07422 0.06347 0.13353 0.08474 162 3PX 0.02997 0.01441 -0.12780 -0.04953 -0.09584 163 3PY -0.12820 -0.05025 0.06196 0.27483 0.06984 164 3PZ -0.07721 -0.02177 -0.13945 0.02426 -0.05993 165 4XX -0.00403 -0.00041 -0.00513 0.00062 -0.01003 166 4YY 0.01540 0.00640 -0.00350 -0.02028 -0.00703 167 4ZZ 0.00533 0.00242 0.00346 0.00179 0.00748 168 4XY -0.00010 0.00004 0.00860 0.00813 0.00211 169 4XZ -0.00067 -0.00041 -0.00242 0.00200 -0.00134 170 4YZ 0.00250 -0.00080 0.00771 -0.00319 0.00636 171 21 C 1S -0.03130 -0.01592 0.00004 -0.00001 0.02086 172 2S 0.07641 0.03963 -0.00010 0.00002 -0.05254 173 2PX 0.15452 0.07157 -0.00020 -0.00015 0.06509 174 2PY -0.00016 -0.00007 -0.06905 -0.17977 -0.00052 175 2PZ -0.01799 0.00017 -0.00005 -0.00048 0.17946 176 3S 0.08257 0.04561 -0.00012 0.00006 -0.06789 177 3PX 0.06704 0.03034 -0.00009 -0.00003 0.00657 178 3PY -0.00002 -0.00002 -0.02100 -0.00551 -0.00005 179 3PZ -0.02674 0.00027 -0.00002 -0.00008 0.04819 180 4XX -0.00402 -0.00156 0.00001 0.00003 -0.01843 181 4YY -0.01126 -0.00388 0.00002 -0.00002 0.00293 182 4ZZ 0.01304 0.00460 -0.00002 -0.00001 0.01775 183 4XY -0.00001 -0.00001 -0.01650 -0.01812 -0.00003 184 4XZ -0.00786 -0.00305 -0.00001 -0.00002 0.00389 185 4YZ -0.00002 -0.00001 -0.00763 0.01714 0.00004 186 22 H 1S -0.05865 -0.02633 0.00008 0.00018 -0.10327 187 2S -0.06679 -0.02973 0.00009 0.00018 -0.09891 188 23 H 1S 0.05621 0.02390 -0.00005 -0.00026 0.12005 189 2S 0.05454 0.01111 -0.00003 -0.00031 0.15193 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19800 1 1 C 1S -0.01042 -0.00116 0.00074 0.01246 -0.01316 2 2S 0.02693 -0.00317 -0.00768 -0.02320 0.02820 3 2PX -0.08887 0.10030 -0.06169 0.12504 -0.25620 4 2PY 0.05331 -0.02300 -0.18180 -0.07747 0.08078 5 2PZ 0.10142 -0.23177 -0.05646 0.04057 -0.15968 6 3S 0.02191 0.05067 0.02047 -0.06272 0.04089 7 3PX -0.04284 0.04285 -0.02745 0.07272 -0.19388 8 3PY 0.01127 0.02989 -0.04893 -0.05947 0.02245 9 3PZ 0.03848 -0.09627 -0.02328 0.03576 -0.14665 10 4XX -0.00064 0.00142 -0.00776 0.01106 -0.00733 11 4YY -0.00224 0.00266 0.02072 0.00379 -0.00181 12 4ZZ 0.00156 -0.00578 -0.00930 -0.01077 0.00818 13 4XY -0.00277 0.00456 0.00176 0.00378 -0.00203 14 4XZ -0.00614 -0.00380 0.00470 0.00194 0.00289 15 4YZ 0.00325 -0.00689 0.00269 0.00449 -0.00139 16 2 H 1S -0.02679 0.02541 0.15226 0.03725 -0.02175 17 2S -0.04148 0.03551 0.16884 0.04314 -0.05180 18 3 C 1S -0.00475 -0.00272 -0.00197 -0.01118 0.00588 19 2S 0.00544 0.01587 0.00794 0.02342 -0.01956 20 2PX 0.04958 -0.14850 -0.00132 0.19364 -0.12108 21 2PY 0.00478 -0.01706 0.21059 0.00886 0.02898 22 2PZ -0.05550 0.12135 -0.02461 0.20507 -0.15207 23 3S 0.04963 -0.07021 -0.00330 0.05537 0.04911 24 3PX 0.00336 -0.02658 0.00304 0.12763 -0.12200 25 3PY 0.02043 -0.04065 0.07787 -0.00533 0.07363 26 3PZ -0.00518 0.00322 -0.02224 0.13568 -0.09207 27 4XX 0.00024 0.00151 -0.00351 -0.00666 0.01016 28 4YY -0.00208 0.00042 0.00856 0.00363 -0.00345 29 4ZZ 0.00242 -0.00733 -0.00766 0.00068 -0.00533 30 4XY -0.00501 0.01189 0.00294 0.00787 0.00664 31 4XZ -0.00311 0.00451 0.00651 0.00105 -0.00073 32 4YZ 0.00529 -0.00991 -0.00311 0.00357 0.01170 33 4 H 1S 0.05617 -0.12065 -0.06953 -0.02882 0.02582 34 2S 0.06629 -0.15105 -0.08141 -0.03221 0.05060 35 5 C 1S 0.00477 0.00273 -0.00195 -0.01122 -0.00593 36 2S -0.00548 -0.01589 0.00788 0.02352 0.01976 37 2PX -0.05009 0.14865 -0.00045 0.19327 0.11825 38 2PY 0.00416 -0.01627 -0.21060 -0.00894 0.02855 39 2PZ 0.05498 -0.12127 -0.02538 0.20524 0.15019 40 3S -0.04964 0.07021 -0.00317 0.05566 -0.04864 41 3PX -0.00367 0.02667 0.00331 0.12740 0.11967 42 3PY 0.02026 -0.04046 -0.07796 0.00520 0.07355 43 3PZ 0.00492 -0.00323 -0.02240 0.13578 0.09076 44 4XX -0.00021 -0.00153 -0.00352 -0.00664 -0.01021 45 4YY 0.00207 -0.00039 0.00855 0.00362 0.00346 46 4ZZ -0.00243 0.00732 -0.00762 0.00065 0.00540 47 4XY -0.00501 0.01191 -0.00291 -0.00791 0.00670 48 4XZ 0.00311 -0.00450 0.00648 0.00104 0.00070 49 4YZ 0.00531 -0.00994 0.00311 -0.00355 0.01178 50 6 H 1S -0.05630 0.12082 -0.06904 -0.02900 -0.02586 51 2S -0.06645 0.15124 -0.08082 -0.03241 -0.05063 52 7 C 1S 0.01045 0.00120 0.00070 0.01250 0.01316 53 2S -0.02700 0.00310 -0.00761 -0.02323 -0.02798 54 2PX 0.08830 -0.10025 -0.06226 0.12499 0.25664 55 2PY 0.05385 -0.02397 0.18182 0.07739 0.08085 56 2PZ -0.10188 0.23185 -0.05516 0.04033 0.16023 57 3S -0.02203 -0.05086 0.02052 -0.06306 -0.04195 58 3PX 0.04254 -0.04290 -0.02764 0.07265 0.19400 59 3PY 0.01143 0.02954 0.04901 0.05959 0.02299 60 3PZ -0.03871 0.09635 -0.02278 0.03562 0.14738 61 4XX 0.00064 -0.00141 -0.00778 0.01108 0.00713 62 4YY 0.00227 -0.00269 0.02072 0.00379 0.00187 63 4ZZ -0.00156 0.00579 -0.00930 -0.01078 -0.00808 64 4XY -0.00278 0.00455 -0.00178 -0.00378 -0.00204 65 4XZ 0.00615 0.00382 0.00469 0.00194 -0.00298 66 4YZ 0.00327 -0.00689 -0.00265 -0.00445 -0.00137 67 8 H 1S 0.02707 -0.02582 0.15222 0.03718 0.02202 68 2S 0.04180 -0.03592 0.16873 0.04302 0.05207 69 9 C 1S 0.00999 -0.00301 -0.00650 0.00205 0.00741 70 2S -0.02395 0.00980 0.01915 -0.00735 -0.00909 71 2PX 0.14201 0.16969 0.00779 -0.05490 -0.07881 72 2PY -0.01403 0.01100 -0.27371 -0.09277 0.01312 73 2PZ 0.17319 -0.18142 0.03374 0.01729 -0.03549 74 3S -0.05245 0.02785 0.00799 -0.01553 -0.09872 75 3PX 0.07501 0.08641 0.00330 -0.01724 -0.04001 76 3PY -0.01225 -0.00183 -0.13289 -0.06116 0.01252 77 3PZ 0.06070 -0.11423 0.03253 -0.01020 -0.01916 78 4XX 0.00130 -0.00940 -0.00761 0.00246 0.00616 79 4YY 0.00038 0.00084 0.01219 0.00278 0.00402 80 4ZZ 0.00066 0.00559 -0.00679 -0.00717 -0.00916 81 4XY 0.00981 0.01124 0.00068 0.00034 -0.00311 82 4XZ 0.00984 0.00255 0.00308 -0.00569 -0.01280 83 4YZ 0.01005 -0.01132 -0.00383 -0.00202 -0.00326 84 10 H 1S 0.14070 -0.00323 -0.03772 -0.04866 -0.08672 85 2S 0.14969 0.00245 -0.04306 -0.04218 -0.10220 86 11 H 1S -0.06163 -0.13916 -0.06469 0.01827 0.06717 87 2S -0.01800 -0.12494 -0.06763 0.04703 0.11844 88 12 C 1S -0.01000 0.00304 -0.00648 0.00204 -0.00762 89 2S 0.02399 -0.00989 0.01907 -0.00729 0.00957 90 2PX -0.14175 -0.16966 0.00729 -0.05510 0.07897 91 2PY -0.01336 0.00976 0.27373 0.09266 0.01330 92 2PZ -0.17305 0.18133 0.03505 0.01715 0.03476 93 3S 0.05249 -0.02789 0.00786 -0.01562 0.09940 94 3PX -0.07491 -0.08643 0.00309 -0.01740 0.04024 95 3PY -0.01199 -0.00249 0.13289 0.06106 0.01258 96 3PZ -0.06061 0.11410 0.03316 -0.01008 0.01859 97 4XX -0.00130 0.00941 -0.00759 0.00247 -0.00623 98 4YY -0.00038 -0.00084 0.01218 0.00278 -0.00396 99 4ZZ -0.00065 -0.00559 -0.00678 -0.00718 0.00913 100 4XY 0.00983 0.01125 -0.00067 -0.00032 -0.00313 101 4XZ -0.00980 -0.00249 0.00308 -0.00570 0.01272 102 4YZ 0.01005 -0.01133 0.00381 0.00206 -0.00325 103 13 H 1S 0.06152 0.13920 -0.06433 0.01834 -0.06726 104 2S 0.01786 0.12497 -0.06717 0.04699 -0.11819 105 14 H 1S -0.14060 0.00359 -0.03750 -0.04884 0.08641 106 2S -0.14961 -0.00204 -0.04283 -0.04245 0.10141 107 15 C 1S 0.00395 0.00530 0.00343 -0.01308 0.00060 108 2S -0.01441 -0.00842 -0.00535 0.03294 -0.00384 109 2PX -0.06824 -0.04133 -0.04072 0.03641 0.07344 110 2PY 0.02144 0.01520 0.07048 -0.02273 0.01420 111 2PZ -0.03277 -0.00475 -0.01746 -0.00902 0.09992 112 3S 0.03889 -0.03289 -0.01001 0.03744 -0.00281 113 3PX -0.06154 -0.01569 -0.02903 0.01481 0.07938 114 3PY 0.04197 0.00385 0.02064 -0.01831 -0.01745 115 3PZ -0.00476 -0.02477 -0.01759 0.00800 0.06954 116 4XX 0.01181 0.00669 0.00323 -0.01366 0.00957 117 4YY -0.00250 -0.00149 0.00236 0.00225 -0.00208 118 4ZZ -0.00725 -0.00408 -0.00537 0.00946 -0.00506 119 4XY 0.00319 0.00175 -0.00107 -0.00084 -0.00526 120 4XZ 0.00162 -0.00018 0.00258 -0.00409 0.00501 121 4YZ 0.00352 0.00073 -0.00250 0.00144 -0.00751 122 16 H 1S -0.01322 -0.01720 -0.03246 0.04361 -0.06491 123 2S -0.00252 -0.01905 -0.03075 0.03388 -0.06950 124 17 C 1S -0.00396 -0.00534 0.00347 -0.01310 -0.00033 125 2S 0.01442 0.00848 -0.00543 0.03296 0.00338 126 2PX 0.06828 0.04164 -0.04080 0.03639 -0.07718 127 2PY 0.02119 0.01559 -0.07047 0.02280 0.01284 128 2PZ 0.03294 0.00489 -0.01760 -0.00902 -0.10285 129 3S -0.03881 0.03302 -0.01014 0.03765 0.00076 130 3PX 0.06166 0.01591 -0.02915 0.01484 -0.08166 131 3PY 0.04193 0.00393 -0.02059 0.01825 -0.01862 132 3PZ 0.00489 0.02492 -0.01764 0.00817 -0.07169 133 4XX -0.01179 -0.00672 0.00324 -0.01370 -0.00976 134 4YY 0.00248 0.00148 0.00236 0.00226 0.00212 135 4ZZ 0.00723 0.00412 -0.00537 0.00947 0.00523 136 4XY 0.00318 0.00174 0.00108 0.00084 -0.00507 137 4XZ -0.00162 0.00017 0.00258 -0.00410 -0.00509 138 4YZ 0.00351 0.00071 0.00252 -0.00146 -0.00731 139 18 H 1S 0.01301 0.01738 -0.03249 0.04370 0.06526 140 2S 0.00234 0.01925 -0.03081 0.03407 0.07049 141 19 O 1S 0.00437 0.00154 -0.00621 0.00386 -0.00237 142 2S -0.00427 -0.00466 0.01233 -0.00699 0.00188 143 2PX -0.17430 -0.06309 -0.06101 0.10701 -0.07007 144 2PY 0.09825 0.05460 -0.03251 0.00039 0.00136 145 2PZ -0.24698 -0.11942 -0.06044 0.16819 -0.07255 146 3S -0.03598 0.00553 0.02750 -0.02260 0.02655 147 3PX -0.13323 -0.04298 -0.04349 0.07736 -0.05907 148 3PY 0.06151 0.03947 -0.02188 -0.00022 0.00643 149 3PZ -0.16750 -0.08402 -0.04193 0.12539 -0.06447 150 4XX -0.00451 -0.00312 -0.00400 0.00661 0.00113 151 4YY 0.00625 0.00197 -0.00166 0.00056 -0.00074 152 4ZZ 0.00320 0.00021 0.00220 -0.00374 -0.00437 153 4XY -0.00616 -0.00148 -0.00084 0.00285 -0.00238 154 4XZ -0.00109 -0.00036 -0.00081 0.00131 0.00042 155 4YZ -0.01006 -0.00527 -0.00311 0.00633 -0.00284 156 20 O 1S -0.00440 -0.00150 -0.00621 0.00387 0.00227 157 2S 0.00432 0.00459 0.01234 -0.00699 -0.00178 158 2PX 0.17402 0.06330 -0.06128 0.10739 0.07356 159 2PY 0.09796 0.05424 0.03244 -0.00048 0.00173 160 2PZ 0.24706 0.11996 -0.06075 0.16880 0.07667 161 3S 0.03614 -0.00568 0.02746 -0.02273 -0.02541 162 3PX 0.13304 0.04313 -0.04371 0.07761 0.06194 163 3PY 0.06132 0.03924 0.02182 0.00018 0.00655 164 3PZ 0.16752 0.08439 -0.04214 0.12583 0.06780 165 4XX 0.00450 0.00314 -0.00401 0.00662 -0.00118 166 4YY -0.00624 -0.00195 -0.00166 0.00057 0.00068 167 4ZZ -0.00323 -0.00024 0.00221 -0.00375 0.00432 168 4XY -0.00615 -0.00148 0.00085 -0.00286 -0.00251 169 4XZ 0.00109 0.00037 -0.00081 0.00132 -0.00043 170 4YZ -0.01006 -0.00529 0.00312 -0.00634 -0.00291 171 21 C 1S 0.00001 -0.00002 0.00484 -0.00072 0.00007 172 2S -0.00003 0.00004 -0.01384 0.00373 -0.00016 173 2PX 0.00005 -0.00006 0.03285 -0.07146 -0.00071 174 2PY -0.01499 0.00165 -0.00005 0.00011 0.00728 175 2PZ 0.00011 -0.00022 0.08195 -0.11325 -0.00030 176 3S -0.00002 0.00006 -0.01436 0.00065 -0.00035 177 3PX 0.00002 0.00000 0.00508 -0.00275 -0.00013 178 3PY 0.01074 0.00629 -0.00004 0.00004 0.01238 179 3PZ 0.00006 -0.00004 0.02067 -0.01323 0.00051 180 4XX -0.00002 0.00002 -0.00861 0.01578 0.00018 181 4YY -0.00002 0.00000 -0.00006 0.00385 0.00001 182 4ZZ 0.00004 -0.00002 0.00936 -0.02004 -0.00018 183 4XY 0.00912 0.00345 -0.00001 0.00002 0.00582 184 4XZ 0.00001 0.00000 0.00053 0.00060 0.00000 185 4YZ 0.01719 0.00727 -0.00003 0.00005 0.00599 186 22 H 1S -0.00007 0.00011 -0.04717 0.08542 0.00088 187 2S -0.00006 0.00012 -0.05044 0.11073 0.00139 188 23 H 1S 0.00007 -0.00017 0.05915 -0.10843 -0.00087 189 2S 0.00006 -0.00023 0.07279 -0.14170 -0.00157 41 42 43 44 45 O V V V V Eigenvalues -- -0.18559 -0.00698 0.01019 0.08378 0.11232 1 1 C 1S 0.00459 0.02869 -0.00858 0.02362 -0.04190 2 2S -0.02192 -0.05192 0.04343 -0.04898 0.06234 3 2PX -0.03934 0.29309 -0.00555 0.00138 -0.03396 4 2PY 0.00711 -0.09330 0.01607 0.07474 -0.08526 5 2PZ -0.02703 0.18161 -0.01027 0.00276 -0.01105 6 3S 0.04352 -0.21233 -0.08759 -0.26231 0.59819 7 3PX -0.01707 0.37290 0.00171 -0.00382 -0.12853 8 3PY 0.03930 -0.10291 -0.02791 0.16935 -0.23963 9 3PZ -0.04601 0.21560 -0.03547 0.04913 0.06905 10 4XX 0.01118 -0.00005 -0.01991 -0.00063 -0.00326 11 4YY -0.00296 0.00191 0.00423 0.00823 -0.00911 12 4ZZ -0.00563 0.00736 0.01359 -0.00330 0.00292 13 4XY -0.00116 -0.00501 0.00000 0.00250 -0.00054 14 4XZ 0.00524 0.00390 -0.00874 0.00656 0.00082 15 4YZ 0.00006 -0.00468 0.00022 0.00385 0.00171 16 2 H 1S -0.01320 0.01321 0.01339 0.02887 -0.02883 17 2S -0.00737 0.05533 0.01315 0.42879 -0.62072 18 3 C 1S 0.00201 -0.00464 0.00657 0.02285 -0.02048 19 2S -0.01006 0.00473 -0.01370 -0.05095 0.02323 20 2PX 0.15233 -0.11912 -0.20431 -0.04002 0.07632 21 2PY -0.02304 0.03529 0.00609 0.03599 -0.05703 22 2PZ 0.11107 -0.10207 -0.15848 0.02650 -0.09760 23 3S -0.02394 0.03335 0.00436 -0.24376 0.42105 24 3PX 0.12779 -0.17081 -0.30164 -0.08837 0.15542 25 3PY -0.00636 0.02108 0.06014 0.06184 -0.11736 26 3PZ 0.08320 -0.14887 -0.17155 0.09400 -0.19309 27 4XX 0.00261 -0.01610 -0.00003 -0.00056 0.00123 28 4YY -0.00192 0.00378 0.00178 -0.00388 -0.00096 29 4ZZ -0.00273 0.00939 0.00085 0.00529 -0.00297 30 4XY 0.00503 -0.00838 0.01068 -0.00492 0.00731 31 4XZ 0.00084 0.00541 -0.00094 -0.00230 0.00122 32 4YZ 0.00570 -0.01381 0.00894 0.00595 -0.00807 33 4 H 1S 0.00365 -0.02140 0.01075 0.02993 -0.02734 34 2S 0.00450 -0.06296 0.06693 0.37800 -0.61097 35 5 C 1S 0.00189 -0.00456 -0.00667 0.02283 -0.02043 36 2S -0.00964 0.00457 0.01382 -0.05093 0.02310 37 2PX 0.15462 -0.12173 0.20254 -0.03982 0.07612 38 2PY 0.02355 -0.03533 0.00562 -0.03603 0.05723 39 2PZ 0.11399 -0.10417 0.15705 0.02658 -0.09759 40 3S -0.02525 0.03369 -0.00342 -0.24314 0.42071 41 3PX 0.13039 -0.17462 0.29895 -0.08818 0.15474 42 3PY 0.00785 -0.02188 0.06001 -0.06211 0.11742 43 3PZ 0.08485 -0.15092 0.16942 0.09436 -0.19314 44 4XX 0.00243 -0.01610 -0.00024 -0.00056 0.00122 45 4YY -0.00185 0.00377 -0.00172 -0.00385 -0.00099 46 4ZZ -0.00265 0.00943 -0.00067 0.00527 -0.00294 47 4XY -0.00490 0.00821 0.01080 0.00494 -0.00732 48 4XZ 0.00086 0.00538 0.00104 -0.00229 0.00122 49 4YZ -0.00547 0.01367 0.00914 -0.00596 0.00807 50 6 H 1S 0.00316 -0.02122 -0.01109 0.02991 -0.02737 51 2S 0.00344 -0.06199 -0.06811 0.37793 -0.61052 52 7 C 1S 0.00485 0.02867 0.00902 0.02361 -0.04187 53 2S -0.02250 -0.05142 -0.04420 -0.04889 0.06228 54 2PX -0.03479 0.29260 0.00987 0.00123 -0.03358 55 2PY -0.00566 0.09296 0.01748 -0.07479 0.08545 56 2PZ -0.02425 0.18147 0.01309 0.00249 -0.01059 57 3S 0.04298 -0.21461 0.08417 -0.26277 0.59775 58 3PX -0.01329 0.37254 0.00423 -0.00412 -0.12763 59 3PY -0.03909 0.10330 -0.02622 -0.16915 0.24009 60 3PZ -0.04346 0.21512 0.03912 0.04856 0.06951 61 4XX 0.01134 -0.00031 0.01995 -0.00061 -0.00327 62 4YY -0.00293 0.00198 -0.00423 0.00824 -0.00911 63 4ZZ -0.00578 0.00756 -0.01346 -0.00333 0.00294 64 4XY 0.00114 0.00500 0.00009 -0.00253 0.00057 65 4XZ 0.00522 0.00379 0.00883 0.00655 0.00085 66 4YZ -0.00006 0.00467 0.00032 -0.00383 -0.00171 67 8 H 1S -0.01287 0.01348 -0.01330 0.02887 -0.02889 68 2S -0.00641 0.05576 -0.01270 0.42862 -0.62120 69 9 C 1S 0.01164 -0.01421 0.01532 0.05242 0.00914 70 2S -0.02713 0.02581 -0.03211 -0.07737 -0.00297 71 2PX -0.00807 0.01045 -0.02034 0.09417 0.10175 72 2PY 0.00762 -0.01767 -0.02747 -0.05147 -0.02517 73 2PZ 0.04282 -0.02674 0.05399 -0.08105 0.00519 74 3S -0.04018 0.13081 -0.14287 -0.73824 -0.26377 75 3PX -0.01371 0.01261 -0.05362 0.18147 0.21118 76 3PY 0.00271 0.01389 -0.04796 -0.19720 -0.15815 77 3PZ 0.03364 -0.02033 0.04190 -0.16151 0.07229 78 4XX 0.00189 0.00646 0.00249 0.01073 0.00045 79 4YY -0.00252 0.00567 -0.00077 -0.00370 -0.00065 80 4ZZ 0.00259 -0.01493 -0.00088 0.00229 -0.00190 81 4XY 0.00037 0.00589 -0.00097 -0.00322 -0.00054 82 4XZ 0.00381 -0.01389 0.00232 -0.00026 -0.00083 83 4YZ 0.00097 -0.00203 0.00224 0.00681 -0.00837 84 10 H 1S 0.01891 -0.06091 0.01233 0.01249 -0.01636 85 2S 0.04905 -0.20086 0.09647 0.34464 -0.17684 86 11 H 1S -0.00161 0.02824 0.00575 0.03637 0.00737 87 2S -0.02441 0.04305 0.00706 0.67030 0.34950 88 12 C 1S 0.01148 -0.01401 -0.01553 0.05242 0.00924 89 2S -0.02694 0.02537 0.03251 -0.07735 -0.00302 90 2PX -0.00675 0.01011 0.02065 0.09422 0.10186 91 2PY -0.00750 0.01813 -0.02705 0.05160 0.02541 92 2PZ 0.04322 -0.02583 -0.05427 -0.08088 0.00531 93 3S -0.03809 0.12904 0.14476 -0.73848 -0.26556 94 3PX -0.01300 0.01184 0.05410 0.18147 0.21131 95 3PY -0.00251 -0.01316 -0.04797 0.19731 0.15855 96 3PZ 0.03384 -0.01937 -0.04204 -0.16062 0.07314 97 4XX 0.00176 0.00654 -0.00238 0.01073 0.00045 98 4YY -0.00258 0.00564 0.00085 -0.00367 -0.00068 99 4ZZ 0.00276 -0.01497 0.00063 0.00226 -0.00185 100 4XY -0.00042 -0.00585 -0.00106 0.00322 0.00055 101 4XZ 0.00404 -0.01387 -0.00256 -0.00026 -0.00081 102 4YZ -0.00102 0.00202 0.00228 -0.00682 0.00837 103 13 H 1S -0.00282 0.02846 -0.00524 0.03639 0.00733 104 2S -0.02663 0.04318 -0.00598 0.67009 0.35041 105 14 H 1S 0.02037 -0.06084 -0.01335 0.01245 -0.01623 106 2S 0.05071 -0.19990 -0.10006 0.34448 -0.17614 107 15 C 1S -0.01554 -0.01199 0.05198 0.01388 -0.00966 108 2S 0.02620 0.03858 -0.11127 -0.04164 0.00113 109 2PX 0.22061 0.16057 -0.23618 -0.01559 0.06719 110 2PY -0.08637 -0.03448 0.07417 0.03080 -0.05615 111 2PZ 0.17794 0.10075 -0.20913 0.03482 -0.11981 112 3S 0.11559 -0.00124 -0.27445 -0.14059 0.29371 113 3PX 0.14406 0.20530 -0.31361 -0.07927 0.14828 114 3PY -0.07636 -0.00932 0.23628 0.04988 -0.12701 115 3PZ 0.13673 0.08095 -0.11649 0.10461 -0.27861 116 4XX 0.00848 -0.00552 0.00417 0.00188 0.00358 117 4YY -0.00095 0.00093 0.00405 -0.00080 -0.00555 118 4ZZ -0.01026 -0.00186 0.00642 0.00347 -0.00131 119 4XY 0.01157 0.01360 0.01154 -0.00153 0.00289 120 4XZ 0.00286 -0.01135 -0.00582 0.00154 -0.00409 121 4YZ 0.01251 0.01059 0.00822 0.00258 -0.01278 122 16 H 1S -0.01038 0.02366 0.06331 0.00915 -0.03372 123 2S -0.04073 0.05742 0.35393 0.28051 -0.60503 124 17 C 1S -0.01569 -0.01133 -0.05227 0.01391 -0.00955 125 2S 0.02655 0.03710 0.11204 -0.04165 0.00079 126 2PX 0.21936 0.15680 0.23839 -0.01564 0.06803 127 2PY 0.08626 0.03318 0.07446 -0.03087 0.05601 128 2PZ 0.17622 0.09739 0.21039 0.03476 -0.11985 129 3S 0.11610 -0.00442 0.27522 -0.14111 0.29374 130 3PX 0.14266 0.20083 0.31653 -0.07909 0.14900 131 3PY 0.07589 0.00620 0.23626 -0.04991 0.12569 132 3PZ 0.13536 0.07907 0.11761 0.10452 -0.27828 133 4XX 0.00828 -0.00551 -0.00427 0.00188 0.00358 134 4YY -0.00087 0.00101 -0.00408 -0.00078 -0.00562 135 4ZZ -0.01022 -0.00180 -0.00641 0.00346 -0.00125 136 4XY -0.01167 -0.01377 0.01133 0.00153 -0.00285 137 4XZ 0.00275 -0.01148 0.00568 0.00155 -0.00415 138 4YZ -0.01264 -0.01073 0.00810 -0.00259 0.01276 139 18 H 1S -0.00932 0.02463 -0.06317 0.00918 -0.03346 140 2S -0.03966 0.06226 -0.35354 0.28058 -0.60333 141 19 O 1S 0.00596 -0.00563 -0.01761 0.01155 -0.00888 142 2S -0.00546 0.00794 0.04335 -0.03191 0.00963 143 2PX -0.18639 -0.01716 0.12498 -0.01593 0.06035 144 2PY 0.02682 0.01480 0.01600 -0.01249 0.02695 145 2PZ -0.21768 -0.08142 0.08152 0.00350 -0.00500 146 3S -0.06501 0.07317 0.11265 -0.11305 0.11928 147 3PX -0.15671 -0.00608 0.10861 -0.03686 0.07028 148 3PY 0.01207 0.02627 0.00838 -0.07051 0.05077 149 3PZ -0.17845 -0.09867 0.09470 0.04655 0.02207 150 4XX 0.00412 0.00198 -0.01483 -0.00271 -0.00453 151 4YY 0.00348 -0.00092 0.00162 -0.00299 -0.00380 152 4ZZ 0.00100 -0.00599 0.00721 -0.00046 -0.00314 153 4XY -0.00707 0.00050 0.00326 -0.00060 -0.00354 154 4XZ 0.00027 -0.00121 0.00156 0.01157 0.00503 155 4YZ -0.00295 0.00121 0.00246 -0.00326 -0.00296 156 20 O 1S 0.00601 -0.00585 0.01753 0.01155 -0.00925 157 2S -0.00551 0.00853 -0.04324 -0.03194 0.01021 158 2PX -0.18521 -0.01511 -0.12506 -0.01592 0.06011 159 2PY -0.02644 -0.01484 0.01591 0.01249 -0.02742 160 2PZ -0.21650 -0.08003 -0.08242 0.00357 -0.00474 161 3S -0.06544 0.07448 -0.11148 -0.11300 0.12330 162 3PX -0.15566 -0.00432 -0.10850 -0.03679 0.06982 163 3PY -0.01167 -0.02614 0.00814 0.07042 -0.05184 164 3PZ -0.17738 -0.09712 -0.09590 0.04667 0.02255 165 4XX 0.00409 0.00177 0.01485 -0.00272 -0.00467 166 4YY 0.00348 -0.00088 -0.00164 -0.00301 -0.00385 167 4ZZ 0.00108 -0.00586 -0.00727 -0.00046 -0.00329 168 4XY 0.00703 -0.00055 0.00326 0.00058 0.00353 169 4XZ 0.00027 -0.00119 -0.00157 0.01157 0.00509 170 4YZ 0.00292 -0.00123 0.00245 0.00326 0.00295 171 21 C 1S -0.00840 0.00000 0.00001 0.05870 0.04876 172 2S 0.02051 0.00330 0.00002 -0.10857 -0.07175 173 2PX 0.07240 0.00107 -0.00002 0.05305 0.05284 174 2PY 0.00005 -0.00040 0.06589 0.00021 -0.00076 175 2PZ 0.02598 -0.02193 -0.00015 -0.19214 -0.16872 176 3S 0.04374 -0.02248 -0.00031 -0.80841 -0.80830 177 3PX 0.01173 0.01857 0.00014 0.17789 0.14556 178 3PY 0.00018 -0.00071 0.11953 0.00059 -0.00189 179 3PZ -0.05634 -0.04080 -0.00023 -0.48232 -0.43506 180 4XX -0.01839 -0.00012 0.00001 0.01075 0.00339 181 4YY -0.00229 -0.00337 -0.00001 0.00118 -0.00217 182 4ZZ 0.01982 0.00331 0.00001 0.00492 0.00639 183 4XY 0.00004 0.00010 -0.01363 -0.00001 0.00005 184 4XZ 0.00044 0.00052 0.00000 0.00824 0.00557 185 4YZ 0.00002 0.00005 -0.00627 0.00000 -0.00006 186 22 H 1S -0.09040 -0.00387 0.00000 0.03350 0.02902 187 2S -0.14839 -0.00366 0.00006 0.46160 0.43010 188 23 H 1S 0.08856 0.01615 0.00009 0.02913 0.04102 189 2S 0.16267 0.08581 0.00071 0.84972 0.84374 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12248 0.12316 0.13517 0.14425 1 1 C 1S -0.01239 0.01036 0.00368 -0.00793 -0.01032 2 2S 0.02188 -0.01841 -0.01636 0.02423 0.01509 3 2PX -0.20674 0.13250 0.04007 -0.02630 -0.03343 4 2PY 0.06504 -0.07706 -0.06140 -0.02489 0.00108 5 2PZ -0.09806 0.06672 -0.02349 -0.02577 0.01715 6 3S 0.13102 -0.08955 -0.00207 0.04106 0.14838 7 3PX -0.26597 0.25830 0.07012 -0.11179 0.05412 8 3PY 0.14022 -0.21784 -0.13165 -0.09240 -0.02368 9 3PZ -0.14773 0.01057 0.04782 -0.18941 -0.00204 10 4XX 0.00750 -0.00118 0.00527 -0.00037 -0.00389 11 4YY 0.00259 -0.00300 -0.00856 -0.00710 0.00506 12 4ZZ -0.01372 0.00794 0.00129 0.00659 -0.00246 13 4XY 0.00791 -0.00744 -0.01032 0.00576 -0.00284 14 4XZ -0.00238 0.00411 -0.00499 -0.00069 -0.00052 15 4YZ 0.00727 -0.00379 0.00086 0.00432 -0.00349 16 2 H 1S 0.01979 -0.01807 -0.02595 -0.02464 0.01494 17 2S 0.09725 -0.20690 -0.19247 -0.21890 -0.06032 18 3 C 1S -0.01458 0.01238 -0.03586 -0.01151 0.01712 19 2S 0.02908 -0.03548 0.05407 0.02272 -0.04574 20 2PX 0.20622 -0.06320 0.04081 0.04240 0.01120 21 2PY 0.01548 -0.01372 -0.04931 -0.01754 0.02849 22 2PZ 0.17869 -0.06892 -0.10070 0.00501 0.07733 23 3S 0.08217 -0.06008 0.55189 0.13646 -0.28231 24 3PX 0.36918 -0.17016 0.10226 0.06036 -0.03926 25 3PY -0.00865 0.03011 -0.19898 -0.03559 0.12886 26 3PZ 0.25940 -0.10078 -0.20844 -0.02203 0.10413 27 4XX 0.00913 -0.00582 -0.00652 -0.00171 0.00608 28 4YY -0.00706 0.00504 0.00439 0.00137 -0.00417 29 4ZZ -0.00667 0.00203 -0.00552 -0.00080 -0.00412 30 4XY -0.00975 0.00328 0.00591 0.00813 -0.00192 31 4XZ -0.00167 0.00412 0.00379 0.00212 0.00251 32 4YZ -0.00494 0.00040 -0.00980 0.00140 0.00319 33 4 H 1S -0.01539 -0.00785 -0.05037 -0.02522 0.00280 34 2S -0.04011 0.02575 -0.71107 -0.19416 0.35191 35 5 C 1S 0.01485 -0.01448 -0.03500 -0.01153 0.01738 36 2S -0.02950 0.03866 0.05181 0.02269 -0.04612 37 2PX -0.20631 0.06567 0.03542 0.04263 0.01066 38 2PY 0.01520 -0.01062 0.05031 0.01774 -0.02947 39 2PZ -0.17798 0.06268 -0.10562 0.00495 0.07818 40 3S -0.08604 0.09293 0.54608 0.13806 -0.28933 41 3PX -0.36962 0.17632 0.08945 0.06062 -0.04152 42 3PY -0.01002 0.04181 0.19774 0.03476 -0.12795 43 3PZ -0.25825 0.08822 -0.21549 -0.02198 0.10689 44 4XX -0.00907 0.00545 -0.00690 -0.00169 0.00609 45 4YY 0.00702 -0.00478 0.00467 0.00141 -0.00428 46 4ZZ 0.00671 -0.00235 -0.00532 -0.00082 -0.00407 47 4XY -0.00975 0.00292 -0.00618 -0.00813 0.00193 48 4XZ 0.00163 -0.00390 0.00402 0.00210 0.00252 49 4YZ -0.00500 0.00096 0.00974 -0.00139 -0.00318 50 6 H 1S 0.01571 0.00493 -0.05063 -0.02521 0.00287 51 2S 0.04472 -0.06848 -0.70794 -0.19481 0.35869 52 7 C 1S 0.01244 -0.01046 0.00445 -0.00810 -0.00979 53 2S -0.02186 0.01800 -0.01773 0.02454 0.01430 54 2PX 0.20662 -0.13048 0.04909 -0.02654 -0.03287 55 2PY 0.06463 -0.07312 0.06604 0.02557 -0.00380 56 2PZ 0.09838 -0.06824 -0.01884 -0.02588 0.01749 57 3S -0.13155 0.09342 -0.00900 0.04332 0.13817 58 3PX 0.26547 -0.25530 0.08672 -0.11189 0.05500 59 3PY 0.13920 -0.20910 0.14370 0.09548 0.01560 60 3PZ 0.14771 -0.00851 0.04972 -0.18985 -0.00168 61 4XX -0.00752 0.00145 0.00514 -0.00037 -0.00385 62 4YY -0.00255 0.00246 -0.00871 -0.00710 0.00509 63 4ZZ 0.01375 -0.00785 0.00185 0.00655 -0.00244 64 4XY 0.00781 -0.00688 0.01081 -0.00572 0.00281 65 4XZ 0.00245 -0.00441 -0.00474 -0.00070 -0.00044 66 4YZ 0.00723 -0.00384 -0.00063 -0.00433 0.00344 67 8 H 1S -0.01957 0.01634 -0.02704 -0.02472 0.01527 68 2S -0.09572 0.19191 -0.20300 -0.22303 -0.04570 69 9 C 1S 0.00814 0.02131 0.01816 -0.03960 -0.00557 70 2S -0.00730 -0.00538 -0.01701 0.04337 0.00184 71 2PX 0.04591 0.02345 -0.11991 0.11329 -0.09411 72 2PY 0.05830 -0.05363 -0.02408 0.06767 0.01863 73 2PZ -0.02549 -0.01552 -0.14026 0.08827 0.01722 74 3S -0.12875 -0.45810 -0.38925 0.70759 0.14333 75 3PX 0.15089 0.07706 -0.34370 0.30739 -0.28012 76 3PY 0.15520 -0.10458 -0.13318 0.19153 0.03937 77 3PZ -0.04531 0.00284 -0.36425 0.20440 0.03897 78 4XX 0.00356 0.00021 0.00594 -0.00343 -0.00478 79 4YY 0.00719 -0.00132 0.00101 -0.00205 -0.00174 80 4ZZ -0.00924 0.00868 -0.00246 -0.00288 0.00403 81 4XY 0.00503 -0.00092 0.01143 -0.00253 0.00577 82 4XZ -0.00822 0.00777 0.01257 0.00044 -0.00029 83 4YZ -0.00192 0.00071 0.00397 -0.00403 -0.00053 84 10 H 1S -0.04469 0.04028 0.06220 -0.02403 0.01625 85 2S -0.19772 0.23235 0.87593 -0.81909 0.17618 86 11 H 1S 0.02417 -0.01495 -0.03202 0.00350 -0.02949 87 2S 0.18998 0.23760 -0.19146 -0.05054 -0.45003 88 12 C 1S -0.00834 -0.02028 0.01923 -0.03948 -0.00572 89 2S 0.00755 0.00447 -0.01728 0.04344 0.00163 90 2PX -0.04460 -0.02934 -0.11866 0.11356 -0.09461 91 2PY 0.05801 -0.05223 0.02766 -0.06765 -0.01973 92 2PZ 0.02660 0.00794 -0.14070 0.08801 0.01786 93 3S 0.13236 0.43569 -0.41228 0.70415 0.14883 94 3PX -0.14743 -0.09402 -0.33949 0.30812 -0.28173 95 3PY 0.15390 -0.09651 0.14100 -0.19248 -0.03899 96 3PZ 0.04857 -0.02223 -0.36359 0.20475 0.03969 97 4XX -0.00363 0.00013 0.00590 -0.00340 -0.00487 98 4YY -0.00717 0.00136 0.00088 -0.00205 -0.00166 99 4ZZ 0.00924 -0.00881 -0.00191 -0.00286 0.00395 100 4XY 0.00512 -0.00152 -0.01135 0.00253 -0.00577 101 4XZ 0.00810 -0.00705 0.01302 0.00043 -0.00028 102 4YZ -0.00191 0.00056 -0.00401 0.00403 0.00053 103 13 H 1S -0.02390 0.01321 -0.03299 0.00357 -0.02972 104 2S -0.18772 -0.24589 -0.17942 -0.04859 -0.45422 105 14 H 1S 0.04411 -0.03688 0.06468 -0.02407 0.01626 106 2S 0.18931 -0.18608 0.88892 -0.81895 0.17422 107 15 C 1S 0.04789 -0.00469 0.00467 0.02441 0.04000 108 2S -0.10809 -0.00021 -0.02770 -0.02962 -0.08312 109 2PX -0.06008 0.25054 -0.07030 -0.06650 0.11881 110 2PY 0.09229 0.05003 0.00868 0.09748 0.05139 111 2PZ -0.10936 0.05935 0.07790 0.18002 -0.10653 112 3S -0.37734 0.13424 -0.07855 -0.54106 -0.46273 113 3PX -0.18510 0.43752 -0.16081 -0.22831 0.28799 114 3PY 0.15621 0.23232 0.03779 0.24307 0.21975 115 3PZ 0.02043 0.07603 0.18922 0.39014 -0.20873 116 4XX 0.00754 -0.00259 -0.00611 0.00003 0.00829 117 4YY -0.00151 -0.00781 -0.00031 0.00529 -0.01142 118 4ZZ 0.00676 0.00165 0.00663 0.00099 0.00471 119 4XY -0.00010 -0.01201 -0.00400 -0.01081 0.01374 120 4XZ -0.00127 -0.00885 0.00784 -0.00083 -0.01363 121 4YZ 0.00249 0.00024 0.01332 0.01507 -0.01039 122 16 H 1S 0.04670 0.03343 0.03747 0.05614 -0.00890 123 2S 0.41187 0.12685 0.35212 0.94815 0.08009 124 17 C 1S -0.04796 0.00492 0.00401 0.02431 0.04041 125 2S 0.10840 -0.00123 -0.02670 -0.02947 -0.08354 126 2PX 0.06084 -0.25455 -0.05564 -0.06617 0.11924 127 2PY 0.09216 0.04967 -0.01081 -0.09799 -0.05145 128 2PZ 0.10901 -0.05484 0.08234 0.17948 -0.10528 129 3S 0.37770 -0.13769 -0.06813 -0.53950 -0.47103 130 3PX 0.18671 -0.44662 -0.13440 -0.22660 0.28760 131 3PY 0.15636 0.23042 -0.05001 -0.24428 -0.21798 132 3PZ -0.02154 -0.06515 0.19405 0.38862 -0.20385 133 4XX -0.00751 0.00228 -0.00630 0.00002 0.00838 134 4YY 0.00149 0.00780 -0.00068 0.00531 -0.01140 135 4ZZ -0.00681 -0.00130 0.00661 0.00095 0.00474 136 4XY -0.00017 -0.01170 0.00465 0.01084 -0.01370 137 4XZ 0.00114 0.00928 0.00734 -0.00080 -0.01368 138 4YZ 0.00259 -0.00047 -0.01330 -0.01508 0.01043 139 18 H 1S -0.04699 -0.03113 0.03889 0.05621 -0.00902 140 2S -0.41401 -0.10846 0.35625 0.94643 0.08756 141 19 O 1S -0.04238 -0.06481 0.02021 0.00226 -0.04990 142 2S 0.06962 0.08742 -0.03486 -0.01879 0.07555 143 2PX -0.00164 -0.09689 -0.07454 -0.07927 0.09365 144 2PY 0.07162 0.08427 -0.05135 0.00001 0.07173 145 2PZ 0.07566 0.04245 0.01024 0.03732 -0.10658 146 3S 0.44786 0.80730 -0.25703 -0.00349 0.59914 147 3PX -0.05096 -0.13583 -0.12206 -0.14077 0.12569 148 3PY 0.13460 0.21389 -0.11152 -0.02075 0.15285 149 3PZ 0.13524 0.06460 0.01324 0.05098 -0.19906 150 4XX -0.02423 -0.02265 0.00629 -0.00584 -0.02162 151 4YY -0.00313 -0.01306 0.00034 -0.00291 -0.01113 152 4ZZ -0.01344 -0.03588 0.00669 -0.00760 -0.01768 153 4XY -0.00080 0.00046 0.00393 0.00724 0.00875 154 4XZ 0.00906 0.00796 0.00520 0.00310 0.00240 155 4YZ 0.00293 0.00186 0.00254 -0.00064 0.00284 156 20 O 1S 0.04216 0.06586 0.01697 0.00207 -0.04978 157 2S -0.06929 -0.08932 -0.03058 -0.01858 0.07540 158 2PX 0.00226 0.09229 -0.07990 -0.07953 0.09373 159 2PY 0.07116 0.08690 0.04719 -0.00020 -0.07181 160 2PZ -0.07569 -0.04124 0.01193 0.03774 -0.10753 161 3S -0.44507 -0.82049 -0.21599 -0.00073 0.59715 162 3PX 0.05199 0.12832 -0.12917 -0.14108 0.12555 163 3PY 0.13367 0.21958 0.10069 0.01993 -0.15221 164 3PZ -0.13516 -0.06260 0.01560 0.05148 -0.20038 165 4XX 0.02416 0.02297 0.00525 -0.00593 -0.02159 166 4YY 0.00310 0.01305 -0.00035 -0.00298 -0.01105 167 4ZZ 0.01335 0.03619 0.00480 -0.00768 -0.01767 168 4XY -0.00076 0.00027 -0.00396 -0.00726 -0.00873 169 4XZ -0.00910 -0.00766 0.00555 0.00309 0.00243 170 4YZ 0.00293 0.00170 -0.00263 0.00064 -0.00281 171 21 C 1S 0.00008 0.00041 0.00920 0.05795 0.06461 172 2S 0.00001 -0.00141 -0.04195 -0.09734 -0.09105 173 2PX -0.00037 0.00227 0.09010 0.07808 0.24173 174 2PY 0.22826 0.34637 -0.00862 -0.00053 0.00021 175 2PZ -0.00003 0.00096 0.03450 0.03548 0.13736 176 3S -0.00124 -0.00465 -0.08837 -0.79213 -0.99123 177 3PX -0.00138 0.00862 0.33382 0.13275 0.61773 178 3PY 0.62493 0.88971 -0.02192 -0.00141 0.00066 179 3PZ 0.00003 0.00195 0.07164 0.07110 0.31629 180 4XX -0.00001 0.00012 0.00473 0.00394 0.01355 181 4YY -0.00002 0.00002 0.00131 0.00812 -0.00620 182 4ZZ 0.00004 -0.00005 -0.00352 0.00275 0.00523 183 4XY -0.01714 -0.01392 0.00030 0.00002 0.00001 184 4XZ -0.00004 0.00011 0.00443 -0.00494 -0.00597 185 4YZ 0.01048 0.02308 -0.00059 -0.00002 -0.00002 186 22 H 1S -0.00003 0.00035 0.01439 0.00763 0.07889 187 2S -0.00108 0.01287 0.46004 0.59994 1.41893 188 23 H 1S 0.00011 -0.00032 -0.01378 0.00903 0.02091 189 2S 0.00178 -0.00213 -0.15952 0.24457 -0.09552 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16394 0.17145 0.17765 0.19270 1 1 C 1S -0.04496 -0.01270 -0.08279 0.00575 -0.01575 2 2S 0.06338 0.01535 0.10005 -0.03034 0.05211 3 2PX -0.07376 0.05069 0.02160 -0.03492 -0.00223 4 2PY -0.20026 -0.00270 -0.07369 0.05771 0.07587 5 2PZ -0.04267 0.03326 0.10823 0.03264 -0.03257 6 3S 0.86500 0.25023 1.44170 0.00659 -0.00436 7 3PX -0.12941 0.09729 0.09319 -0.07828 0.09249 8 3PY -0.60161 0.06322 -0.25377 0.33120 0.02662 9 3PZ -0.00983 0.04845 0.22268 0.37001 -0.04491 10 4XX -0.00485 0.00114 -0.00528 -0.00107 -0.00505 11 4YY -0.00189 0.00044 -0.00064 -0.00264 0.01113 12 4ZZ -0.00169 -0.00449 -0.01049 0.00255 -0.00736 13 4XY -0.00118 0.00340 -0.00075 0.00455 -0.00476 14 4XZ -0.00651 0.00020 0.00084 -0.00030 0.00377 15 4YZ -0.00440 -0.00438 -0.00510 -0.01351 0.00340 16 2 H 1S -0.02126 0.00176 -0.02368 -0.01784 0.04067 17 2S -1.13220 -0.02723 -0.85859 0.32535 0.14168 18 3 C 1S -0.02434 0.01343 0.03539 -0.04227 0.05794 19 2S 0.03821 0.03148 -0.03288 0.06381 -0.07422 20 2PX 0.06619 -0.07773 -0.04047 -0.02958 -0.07375 21 2PY -0.06672 0.04464 0.08613 0.01230 0.06296 22 2PZ -0.06174 0.00056 0.03387 -0.05974 0.06888 23 3S 0.59017 -0.40560 -0.73645 0.58892 -0.87157 24 3PX 0.25339 -0.05618 -0.05168 0.06328 -0.24398 25 3PY 0.06246 0.14061 0.35784 -0.05299 0.20114 26 3PZ -0.23391 0.02501 0.02677 -0.27866 0.43132 27 4XX -0.00011 -0.00261 -0.00018 0.00112 0.00856 28 4YY 0.00809 0.00631 -0.00049 -0.01160 0.00478 29 4ZZ -0.00480 0.00782 0.00683 0.00001 0.00217 30 4XY -0.00075 -0.00554 -0.00138 0.00029 0.00199 31 4XZ -0.00007 -0.00677 -0.00325 -0.00108 -0.00453 32 4YZ 0.00102 -0.00218 -0.00822 0.00325 -0.00261 33 4 H 1S -0.00644 0.03755 0.01576 -0.00139 0.04620 34 2S -0.59320 0.33179 0.60690 -0.47310 1.01058 35 5 C 1S 0.02416 0.01338 0.03542 0.04221 -0.05798 36 2S -0.03760 0.03160 -0.03291 -0.06376 0.07422 37 2PX -0.06625 -0.07765 -0.04046 0.02970 0.07378 38 2PY -0.06660 -0.04451 -0.08609 0.01242 0.06321 39 2PZ 0.06080 0.00031 0.03374 0.05980 -0.06870 40 3S -0.58747 -0.40534 -0.73740 -0.58750 0.87229 41 3PX -0.25286 -0.05546 -0.05149 -0.06323 0.24360 42 3PY 0.06315 -0.14027 -0.35771 -0.05279 0.20216 43 3PZ 0.23299 0.02376 0.02612 0.27851 -0.43086 44 4XX 0.00003 -0.00265 -0.00020 -0.00112 -0.00857 45 4YY -0.00803 0.00633 -0.00048 0.01159 -0.00477 46 4ZZ 0.00485 0.00783 0.00685 -0.00001 -0.00219 47 4XY -0.00076 0.00554 0.00138 0.00027 0.00197 48 4XZ 0.00003 -0.00676 -0.00325 0.00108 0.00454 49 4YZ 0.00102 0.00217 0.00821 0.00325 -0.00261 50 6 H 1S 0.00643 0.03750 0.01575 0.00137 -0.04625 51 2S 0.58949 0.33024 0.60709 0.47208 -1.01090 52 7 C 1S 0.04510 -0.01272 -0.08274 -0.00560 0.01580 53 2S -0.06350 0.01526 0.09993 0.03012 -0.05217 54 2PX 0.07432 0.05086 0.02193 0.03488 0.00205 55 2PY -0.20024 0.00312 0.07372 0.05775 0.07588 56 2PZ 0.04208 0.03333 0.10848 -0.03267 0.03258 57 3S -0.86707 0.25173 1.44142 -0.00883 0.00333 58 3PX 0.12904 0.09764 0.09392 0.07780 -0.09270 59 3PY -0.60190 -0.06292 0.25391 0.33162 0.02707 60 3PZ 0.00788 0.04840 0.22305 -0.36960 0.04439 61 4XX 0.00491 0.00115 -0.00527 0.00107 0.00507 62 4YY 0.00185 0.00039 -0.00066 0.00270 -0.01114 63 4ZZ 0.00172 -0.00448 -0.01046 -0.00258 0.00738 64 4XY -0.00125 -0.00341 0.00076 0.00455 -0.00472 65 4XZ 0.00652 0.00017 0.00083 0.00032 -0.00377 66 4YZ -0.00444 0.00439 0.00510 -0.01351 0.00336 67 8 H 1S 0.02108 0.00169 -0.02366 0.01788 -0.04066 68 2S 1.13278 -0.02868 -0.85888 -0.32404 -0.14199 69 9 C 1S 0.00346 -0.00218 0.03754 -0.11466 0.00881 70 2S 0.02176 -0.01208 -0.03714 0.09206 0.00020 71 2PX 0.03335 0.01437 -0.09139 -0.00506 0.01489 72 2PY -0.07341 0.00890 -0.04078 -0.04693 0.09730 73 2PZ -0.05397 0.08234 0.06561 0.10588 -0.01333 74 3S -0.24980 0.12682 -0.62628 2.23064 -0.21033 75 3PX 0.11885 -0.05120 -0.31161 0.07427 0.16638 76 3PY 0.05610 0.03167 -0.28567 -0.46137 0.31978 77 3PZ -0.09284 0.16488 0.27516 0.21848 0.05667 78 4XX 0.00717 0.00075 -0.00270 -0.00209 -0.00103 79 4YY -0.00723 -0.00269 -0.00298 -0.01885 0.00931 80 4ZZ 0.00474 -0.00098 0.01227 -0.00191 -0.00651 81 4XY 0.00049 0.00303 0.01179 0.00045 0.00073 82 4XZ -0.00385 0.00086 -0.00565 -0.00039 0.00395 83 4YZ 0.00035 -0.00452 -0.01441 0.00166 -0.00247 84 10 H 1S -0.00966 -0.00347 -0.00525 -0.00690 -0.01233 85 2S 0.06975 -0.20877 0.31107 -0.87857 -0.19395 86 11 H 1S 0.02088 -0.01306 -0.03992 -0.00284 -0.00960 87 2S 0.26245 -0.16375 -0.17011 -0.67474 -0.00805 88 12 C 1S -0.00355 -0.00209 0.03770 0.11463 -0.00889 89 2S -0.02166 -0.01221 -0.03731 -0.09200 -0.00016 90 2PX -0.03169 0.01435 -0.09152 0.00521 -0.01477 91 2PY -0.07355 -0.00875 0.04081 -0.04676 0.09710 92 2PZ 0.05416 0.08215 0.06539 -0.10621 0.01356 93 3S 0.25136 0.12539 -0.62916 -2.23033 0.21204 94 3PX -0.11428 -0.05130 -0.31224 -0.07366 -0.16601 95 3PY 0.05542 -0.03146 0.28531 -0.46130 0.31934 96 3PZ 0.09354 0.16382 0.27450 -0.21994 -0.05641 97 4XX -0.00714 0.00076 -0.00268 0.00209 0.00103 98 4YY 0.00724 -0.00272 -0.00302 0.01887 -0.00931 99 4ZZ -0.00478 -0.00093 0.01232 0.00190 0.00650 100 4XY 0.00054 -0.00303 -0.01178 0.00046 0.00075 101 4XZ 0.00385 0.00085 -0.00569 0.00039 -0.00393 102 4YZ 0.00038 0.00452 0.01438 0.00167 -0.00251 103 13 H 1S -0.02056 -0.01301 -0.03986 0.00295 0.00956 104 2S -0.25732 -0.16245 -0.16876 0.67506 0.00780 105 14 H 1S 0.00937 -0.00342 -0.00525 0.00687 0.01239 106 2S -0.07582 -0.20727 0.31295 0.87882 0.19291 107 15 C 1S -0.03279 -0.05607 -0.00413 -0.01465 -0.06486 108 2S 0.03764 0.09088 0.01994 0.01500 0.09260 109 2PX -0.05979 -0.06259 -0.05502 0.02304 -0.02852 110 2PY -0.01622 -0.12460 -0.02499 0.03181 -0.01130 111 2PZ -0.13197 0.01278 0.08395 -0.07714 -0.20233 112 3S 0.64510 0.90712 -0.10912 0.25878 1.08535 113 3PX 0.00447 -0.24180 -0.12490 0.14407 0.17644 114 3PY 0.04299 -0.44305 0.09464 -0.02025 -0.01002 115 3PZ -0.45569 0.03483 0.16359 -0.30160 -0.68627 116 4XX -0.00613 -0.00892 -0.00390 -0.00025 -0.00873 117 4YY -0.00403 0.00889 -0.00011 -0.01068 -0.01368 118 4ZZ 0.00076 -0.00111 0.00305 0.00264 0.00180 119 4XY 0.00221 -0.00451 -0.00854 -0.00276 0.00031 120 4XZ 0.00468 0.01417 0.00531 0.00127 0.00698 121 4YZ 0.00621 0.01155 0.00979 0.00381 0.01062 122 16 H 1S 0.00146 -0.00540 0.04187 0.00111 -0.01957 123 2S -0.65928 -0.66068 0.31994 -0.36274 -1.14717 124 17 C 1S 0.03230 -0.05604 -0.00415 0.01471 0.06498 125 2S -0.03660 0.09075 0.02001 -0.01510 -0.09287 126 2PX 0.05836 -0.06287 -0.05483 -0.02269 0.02909 127 2PY -0.01590 0.12477 0.02488 0.03162 -0.01180 128 2PZ 0.13389 0.01327 0.08435 0.07698 0.20256 129 3S -0.63993 0.90719 -0.10908 -0.25951 -1.08741 130 3PX -0.00825 -0.24324 -0.12463 -0.14303 -0.17516 131 3PY 0.04472 0.44199 -0.09552 -0.02115 -0.01223 132 3PZ 0.45967 0.03628 0.16470 0.30108 0.68651 133 4XX 0.00602 -0.00893 -0.00391 0.00027 0.00874 134 4YY 0.00417 0.00895 -0.00007 0.01064 0.01361 135 4ZZ -0.00080 -0.00116 0.00301 -0.00263 -0.00175 136 4XY 0.00239 0.00445 0.00852 -0.00279 0.00028 137 4XZ -0.00450 0.01416 0.00531 -0.00132 -0.00700 138 4YZ 0.00603 -0.01153 -0.00978 0.00387 0.01067 139 18 H 1S -0.00133 -0.00532 0.04191 -0.00123 0.01935 140 2S 0.66041 -0.65924 0.32114 0.36236 1.14885 141 19 O 1S -0.00124 0.05752 -0.00664 -0.01649 -0.01099 142 2S -0.00147 -0.07983 0.00187 0.00474 0.00176 143 2PX 0.01452 -0.12680 -0.05156 -0.04741 -0.02926 144 2PY -0.03368 -0.10929 0.03785 0.04573 -0.01516 145 2PZ 0.05407 0.05947 0.08775 0.00961 0.07333 146 3S 0.04662 -0.76920 0.12891 0.29279 0.22681 147 3PX 0.04317 -0.28563 -0.07358 -0.02544 0.00354 148 3PY -0.00918 -0.23057 0.10382 0.08204 0.04518 149 3PZ 0.07148 0.10969 0.13206 0.04097 0.11057 150 4XX -0.00028 0.01873 0.00121 -0.01402 -0.00845 151 4YY -0.00362 0.01337 -0.00495 -0.00846 -0.00865 152 4ZZ 0.00390 0.02486 -0.00495 -0.00874 0.00013 153 4XY 0.00254 -0.00366 0.00286 0.00136 0.00432 154 4XZ -0.00419 0.00496 -0.00567 0.00709 -0.00277 155 4YZ 0.00051 0.00849 -0.00260 -0.00567 -0.00326 156 20 O 1S 0.00192 0.05758 -0.00664 0.01637 0.01095 157 2S 0.00039 -0.07982 0.00192 -0.00458 -0.00172 158 2PX -0.01588 -0.12680 -0.05163 0.04758 0.02965 159 2PY -0.03256 0.10928 -0.03797 0.04547 -0.01490 160 2PZ -0.05266 0.05963 0.08773 -0.00979 -0.07363 161 3S -0.05478 -0.77027 0.12892 -0.29119 -0.22633 162 3PX -0.04515 -0.28574 -0.07382 0.02583 -0.00269 163 3PY -0.00679 0.23069 -0.10409 0.08153 0.04569 164 3PZ -0.06892 0.10999 0.13185 -0.04129 -0.11113 165 4XX 0.00054 0.01878 0.00123 0.01398 0.00844 166 4YY 0.00375 0.01344 -0.00496 0.00845 0.00864 167 4ZZ -0.00368 0.02487 -0.00495 0.00868 -0.00016 168 4XY 0.00263 0.00366 -0.00284 0.00136 0.00432 169 4XZ 0.00418 0.00495 -0.00569 -0.00708 0.00281 170 4YZ 0.00055 -0.00853 0.00258 -0.00566 -0.00324 171 21 C 1S -0.00035 -0.01528 0.03925 0.00003 -0.00006 172 2S 0.00048 0.02416 -0.06071 -0.00005 0.00006 173 2PX -0.00124 0.32147 -0.16682 -0.00006 -0.00013 174 2PY 0.00269 0.00019 0.00004 0.14837 0.09943 175 2PZ -0.00087 0.03863 -0.04030 0.00028 -0.00008 176 3S 0.00532 -0.02673 -0.49154 -0.00026 0.00101 177 3PX -0.00321 0.87061 -0.49188 -0.00018 -0.00011 178 3PY 0.00451 0.00052 -0.00019 0.27937 0.20304 179 3PZ -0.00217 0.03090 -0.04351 0.00054 -0.00058 180 4XX -0.00008 0.00020 -0.00486 0.00001 0.00001 181 4YY 0.00005 0.00357 0.01187 -0.00002 -0.00002 182 4ZZ -0.00004 -0.00502 -0.00248 0.00001 0.00001 183 4XY 0.00082 -0.00003 0.00000 -0.01056 -0.00499 184 4XZ 0.00004 0.01428 -0.00539 -0.00002 0.00000 185 4YZ -0.00494 0.00002 0.00001 0.00687 -0.00108 186 22 H 1S -0.00047 0.01460 -0.03335 0.00002 0.00001 187 2S -0.00767 1.06637 -0.40302 0.00014 -0.00082 188 23 H 1S -0.00011 -0.02512 -0.00112 0.00002 0.00007 189 2S 0.00099 -0.41312 0.49970 -0.00016 0.00056 56 57 58 59 60 V V V V V Eigenvalues -- 0.19776 0.20300 0.22884 0.23612 0.24271 1 1 C 1S -0.03046 -0.05349 0.01370 -0.01858 0.04417 2 2S 0.04311 0.08636 -0.01753 0.04371 -0.05057 3 2PX -0.01099 -0.00094 -0.00253 -0.02471 0.03692 4 2PY -0.05153 -0.10978 0.09709 0.00606 -0.18653 5 2PZ 0.01420 0.00143 0.07696 0.00914 -0.19048 6 3S 0.45783 0.53108 -0.24901 0.23248 -0.78779 7 3PX -0.11757 -0.07089 -0.00479 -0.38189 0.21833 8 3PY -0.24742 -0.72508 0.46603 -0.09501 -0.92120 9 3PZ 0.08087 -0.08604 0.25078 0.03222 -0.84110 10 4XX -0.00320 0.00113 0.00295 -0.00541 0.00221 11 4YY -0.00206 -0.00462 -0.00278 0.00545 -0.00025 12 4ZZ -0.00167 -0.00894 0.00262 -0.00160 0.00443 13 4XY 0.00207 -0.00610 -0.00353 0.01081 -0.00141 14 4XZ 0.00276 0.00723 -0.00844 0.01201 -0.00164 15 4YZ 0.00097 0.00100 -0.00729 0.00214 0.00506 16 2 H 1S -0.01811 -0.06791 0.00169 0.02127 -0.00978 17 2S -0.47578 -1.08986 0.63297 -0.17434 -0.74519 18 3 C 1S 0.00896 0.05859 -0.01518 -0.01032 0.00711 19 2S -0.03614 -0.13602 0.05893 0.00280 0.00089 20 2PX 0.01198 -0.02089 -0.00014 0.04942 -0.06896 21 2PY 0.01272 0.01841 -0.02960 0.05817 0.09789 22 2PZ 0.02809 0.07638 0.02532 0.02033 0.09196 23 3S -0.05619 -0.42256 0.21120 0.49104 -0.42400 24 3PX -0.04377 -0.39519 0.02972 0.02954 -0.24456 25 3PY 0.08859 0.33888 -0.20606 0.27392 0.33845 26 3PZ 0.05988 0.60435 -0.09286 0.10370 0.42596 27 4XX 0.00058 -0.00134 0.00294 0.00343 -0.00452 28 4YY -0.00388 0.01274 0.00463 -0.00660 0.01302 29 4ZZ 0.00042 -0.00282 -0.00172 0.00598 -0.00901 30 4XY 0.00419 0.00325 -0.00699 -0.00142 0.00905 31 4XZ 0.00140 0.00016 -0.00313 -0.00585 0.01243 32 4YZ -0.00224 -0.00690 0.00327 -0.00124 0.00233 33 4 H 1S -0.00962 0.01866 0.01223 0.02145 -0.03811 34 2S 0.17183 1.03823 -0.22628 0.06291 0.72572 35 5 C 1S 0.00902 -0.05859 -0.01509 0.01036 0.00709 36 2S -0.03625 0.13599 0.05885 -0.00304 0.00080 37 2PX 0.01189 0.02099 -0.00033 -0.04995 -0.06841 38 2PY -0.01278 0.01857 0.02975 0.05769 -0.09832 39 2PZ 0.02817 -0.07634 0.02528 -0.01986 0.09143 40 3S -0.05659 0.42292 0.20864 -0.49256 -0.42207 41 3PX -0.04442 0.39510 0.02977 -0.03126 -0.24320 42 3PY -0.08912 0.34035 0.20691 0.27226 -0.33961 43 3PZ 0.06059 -0.60378 -0.09277 -0.10048 0.42451 44 4XX 0.00060 0.00135 0.00293 -0.00347 -0.00450 45 4YY -0.00387 -0.01272 0.00469 0.00662 0.01298 46 4ZZ 0.00042 0.00279 -0.00176 -0.00603 -0.00897 47 4XY -0.00419 0.00327 0.00698 -0.00149 -0.00908 48 4XZ 0.00137 -0.00015 -0.00310 0.00592 0.01241 49 4YZ 0.00224 -0.00692 -0.00326 -0.00122 -0.00230 50 6 H 1S -0.00955 -0.01868 0.01220 -0.02162 -0.03804 51 2S 0.17327 -1.03857 -0.22608 -0.05870 0.72396 52 7 C 1S -0.03050 0.05349 0.01370 0.01878 0.04414 53 2S 0.04323 -0.08632 -0.01767 -0.04384 -0.05047 54 2PX -0.01099 0.00093 -0.00247 0.02465 0.03676 55 2PY 0.05150 -0.10991 -0.09712 0.00710 0.18709 56 2PZ 0.01424 -0.00167 0.07662 -0.01005 -0.19019 57 3S 0.45775 -0.53133 -0.24829 -0.23655 -0.78692 58 3PX -0.11793 0.07131 -0.00328 0.38235 0.21619 59 3PY 0.24787 -0.72533 -0.46682 -0.08895 0.92407 60 3PZ 0.08149 0.08475 0.24949 -0.03649 -0.84018 61 4XX -0.00320 -0.00112 0.00295 0.00542 0.00219 62 4YY -0.00204 0.00460 -0.00281 -0.00545 -0.00019 63 4ZZ -0.00169 0.00895 0.00263 0.00163 0.00440 64 4XY -0.00205 -0.00611 0.00357 0.01082 0.00140 65 4XZ 0.00275 -0.00723 -0.00846 -0.01198 -0.00155 66 4YZ -0.00098 0.00098 0.00726 0.00209 -0.00516 67 8 H 1S -0.01805 0.06788 0.00166 -0.02134 -0.00957 68 2S -0.47618 1.09004 0.63284 0.16935 -0.74630 69 9 C 1S 0.01301 -0.06056 -0.03029 -0.01386 -0.06151 70 2S -0.02077 0.09495 0.05561 0.02944 0.05129 71 2PX 0.03117 0.01287 -0.10622 -0.29932 -0.01768 72 2PY -0.00841 0.00086 0.06477 0.01542 0.07030 73 2PZ 0.03355 0.03292 0.07405 -0.13091 -0.09943 74 3S -0.24219 0.66942 0.47624 0.12322 1.28507 75 3PX 0.06004 -0.05695 -0.48559 -1.18820 0.09265 76 3PY -0.14261 0.13778 0.19295 0.13352 0.32863 77 3PZ 0.06351 0.24756 0.33148 -0.49919 -0.81896 78 4XX 0.00236 -0.00183 -0.01519 0.00182 0.01036 79 4YY -0.00335 -0.01050 0.00252 -0.00078 0.00184 80 4ZZ 0.00078 -0.00519 0.00883 -0.00329 -0.02399 81 4XY 0.00133 -0.00160 0.01771 -0.00763 0.00049 82 4XZ -0.00080 0.00284 0.00782 0.00146 0.01384 83 4YZ -0.00611 0.00323 -0.00289 -0.00409 0.01220 84 10 H 1S -0.00470 -0.01119 0.03978 0.02679 0.06578 85 2S -0.02481 -0.52581 -0.10206 1.20408 0.08203 86 11 H 1S -0.00008 -0.02509 -0.12087 -0.03201 0.02540 87 2S 0.16794 -0.45016 -1.03185 -1.22545 -0.28469 88 12 C 1S 0.01306 0.06055 -0.03023 0.01369 -0.06137 89 2S -0.02083 -0.09495 0.05553 -0.02946 0.05118 90 2PX 0.03120 -0.01281 -0.10541 0.29936 -0.01903 91 2PY 0.00823 0.00093 -0.06501 0.01525 -0.07132 92 2PZ 0.03355 -0.03291 0.07403 0.13076 -0.09951 93 3S -0.24333 -0.66925 0.47544 -0.11933 1.28262 94 3PX 0.06009 0.05739 -0.48254 1.18965 0.08829 95 3PY 0.14173 0.13816 -0.19369 0.13260 -0.33266 96 3PZ 0.06373 -0.24721 0.33164 0.49580 -0.81914 97 4XX 0.00236 0.00182 -0.01519 -0.00171 0.01028 98 4YY -0.00335 0.01049 0.00251 0.00077 0.00196 99 4ZZ 0.00079 0.00520 0.00885 0.00314 -0.02403 100 4XY -0.00133 -0.00160 -0.01775 -0.00758 -0.00048 101 4XZ -0.00082 -0.00284 0.00775 -0.00143 0.01388 102 4YZ 0.00610 0.00323 0.00287 -0.00411 -0.01215 103 13 H 1S -0.00005 0.02508 -0.12077 0.03246 0.02497 104 2S 0.16837 0.45034 -1.02822 1.22731 -0.29242 105 14 H 1S -0.00476 0.01118 0.03961 -0.02664 0.06581 106 2S -0.02483 0.52548 -0.10541 -1.20332 0.08529 107 15 C 1S 0.04185 0.03038 -0.00030 0.00392 -0.01075 108 2S -0.08476 -0.07268 -0.02236 -0.00830 0.01297 109 2PX 0.05177 0.00300 0.02258 0.02248 0.00376 110 2PY 0.12669 0.03618 0.00701 0.02651 -0.02180 111 2PZ -0.00503 0.08503 -0.00851 -0.03455 -0.02687 112 3S -0.54040 -0.21776 0.07224 0.01612 0.18106 113 3PX 0.08818 -0.10888 -0.04724 -0.00870 0.02829 114 3PY 0.20037 0.38230 -0.05298 0.08054 -0.06329 115 3PZ -0.03309 0.37464 0.00279 -0.06898 -0.00052 116 4XX 0.00133 0.00559 -0.00472 0.00672 -0.00383 117 4YY 0.00336 0.00685 0.00173 -0.00171 0.00112 118 4ZZ 0.00171 -0.00098 0.00021 -0.00121 0.00002 119 4XY 0.01155 -0.00104 0.00282 -0.00373 -0.00424 120 4XZ 0.00066 -0.00173 0.00251 -0.00327 -0.00117 121 4YZ -0.01108 -0.00489 -0.00438 0.00102 -0.00161 122 16 H 1S -0.03840 0.01579 -0.00972 0.00110 0.00211 123 2S 0.39875 0.72281 -0.02327 -0.03288 -0.19378 124 17 C 1S 0.04172 -0.03036 -0.00037 -0.00399 -0.01075 125 2S -0.08452 0.07265 -0.02225 0.00836 0.01291 126 2PX 0.05166 -0.00319 0.02238 -0.02250 0.00388 127 2PY -0.12662 0.03613 -0.00686 0.02662 0.02174 128 2PZ -0.00547 -0.08509 -0.00856 0.03437 -0.02716 129 3S -0.53828 0.21760 0.07321 -0.01489 0.18170 130 3PX 0.08834 0.10852 -0.04763 0.00948 0.02882 131 3PY -0.20082 0.38308 0.05319 0.08079 0.06286 132 3PZ -0.03379 -0.37398 0.00280 0.06893 -0.00141 133 4XX 0.00132 -0.00559 -0.00475 -0.00671 -0.00379 134 4YY 0.00333 -0.00681 0.00172 0.00168 0.00109 135 4ZZ 0.00174 0.00095 0.00023 0.00122 0.00003 136 4XY -0.01155 -0.00105 -0.00284 -0.00372 0.00427 137 4XZ 0.00064 0.00171 0.00252 0.00324 -0.00118 138 4YZ 0.01107 -0.00491 0.00438 0.00104 0.00160 139 18 H 1S -0.03844 -0.01574 -0.00971 -0.00107 0.00207 140 2S 0.39747 -0.72258 -0.02387 0.03137 -0.19487 141 19 O 1S 0.03749 0.00430 0.01618 -0.00886 0.00528 142 2S -0.03951 0.00493 -0.01842 0.01048 -0.01020 143 2PX 0.15562 0.01291 0.08250 -0.02245 0.00956 144 2PY -0.22861 0.01105 -0.09697 0.05055 -0.03000 145 2PZ -0.14145 -0.05271 0.06608 -0.01953 0.02159 146 3S -0.57349 -0.12548 -0.25927 0.10903 -0.07854 147 3PX 0.29280 0.01057 0.10263 -0.00082 0.00975 148 3PY -0.48950 -0.05529 -0.16644 0.03427 -0.03127 149 3PZ -0.27085 -0.08393 0.09295 0.00122 0.04697 150 4XX 0.01430 0.00335 0.00694 -0.01040 0.00304 151 4YY 0.01411 0.00252 0.01072 -0.00271 0.00063 152 4ZZ 0.01611 0.00484 -0.00058 -0.00184 -0.00039 153 4XY -0.00570 -0.00009 -0.00764 0.00084 -0.00252 154 4XZ 0.01376 0.00552 0.00622 0.00775 0.00277 155 4YZ 0.00572 -0.00204 0.00121 -0.00676 -0.00215 156 20 O 1S 0.03757 -0.00430 0.01624 0.00881 0.00522 157 2S -0.03960 -0.00495 -0.01850 -0.01044 -0.01015 158 2PX 0.15563 -0.01289 0.08245 0.02221 0.00939 159 2PY 0.22909 0.01096 0.09701 0.05022 0.02969 160 2PZ -0.14094 0.05270 0.06642 0.01943 0.02142 161 3S -0.57468 0.12537 -0.26002 -0.10827 -0.07772 162 3PX 0.29287 -0.01056 0.10248 0.00057 0.00990 163 3PY 0.49051 -0.05535 0.16649 0.03369 0.03097 164 3PZ -0.26995 0.08386 0.09345 -0.00130 0.04686 165 4XX 0.01434 -0.00337 0.00697 0.01038 0.00297 166 4YY 0.01414 -0.00249 0.01074 0.00268 0.00059 167 4ZZ 0.01615 -0.00486 -0.00056 0.00181 -0.00038 168 4XY 0.00566 -0.00007 0.00763 0.00085 0.00249 169 4XZ 0.01376 -0.00552 0.00622 -0.00774 0.00283 170 4YZ -0.00570 -0.00203 -0.00120 -0.00674 0.00221 171 21 C 1S -0.13286 0.00000 0.00656 0.00003 0.01032 172 2S 0.21012 0.00002 0.02144 -0.00018 -0.03314 173 2PX 0.15672 0.00005 0.02963 -0.00026 -0.03792 174 2PY 0.00023 0.00204 0.00046 0.12166 -0.00031 175 2PZ -0.15328 -0.00004 -0.33552 0.00029 -0.14417 176 3S 1.81176 -0.00014 -0.42547 0.00007 -0.21260 177 3PX 0.64740 0.00005 -0.08703 -0.00022 -0.07311 178 3PY 0.00134 -0.15177 0.00110 0.09334 0.00027 179 3PZ -0.60675 -0.00014 -0.96117 0.00070 -0.35091 180 4XX 0.01716 0.00000 -0.00422 0.00000 -0.00519 181 4YY -0.03106 -0.00001 -0.00886 -0.00001 -0.00536 182 4ZZ 0.00856 0.00001 0.02076 -0.00001 0.00602 183 4XY -0.00003 -0.00317 -0.00002 -0.01284 0.00004 184 4XZ 0.02413 0.00000 0.00910 -0.00002 0.00452 185 4YZ -0.00002 0.00102 -0.00002 0.00586 -0.00003 186 22 H 1S 0.05443 0.00000 -0.02907 0.00001 -0.01532 187 2S -0.30209 0.00011 -0.22102 -0.00015 -0.13134 188 23 H 1S 0.02870 0.00002 0.11747 -0.00008 0.04420 189 2S -0.41118 0.00005 1.47412 -0.00065 0.62322 61 62 63 64 65 V V V V V Eigenvalues -- 0.24912 0.30439 0.31363 0.32662 0.37013 1 1 C 1S -0.00495 0.05463 0.04988 0.01174 -0.00114 2 2S -0.01918 -0.06390 -0.05072 -0.01445 -0.03160 3 2PX 0.03130 -0.03918 -0.16619 -0.08567 0.01374 4 2PY -0.04707 -0.04811 -0.13047 0.02991 -0.00215 5 2PZ 0.02964 -0.15522 0.17485 -0.02996 0.00057 6 3S 0.41472 -1.37572 -1.44057 -0.19945 0.12333 7 3PX 0.26668 -0.06260 -1.06836 0.07427 -0.13188 8 3PY -0.13693 -0.13898 -0.86070 0.07588 0.14640 9 3PZ -0.14177 -0.67734 1.01261 -0.11137 0.14534 10 4XX -0.00286 0.00931 0.01012 -0.00492 0.00618 11 4YY 0.00714 -0.02216 -0.00258 0.00405 -0.00165 12 4ZZ -0.00571 0.01852 -0.00226 0.00471 -0.00845 13 4XY -0.01181 -0.01090 0.01299 -0.00593 -0.00773 14 4XZ 0.00618 -0.01092 -0.00233 0.00061 -0.00585 15 4YZ 0.02000 0.01495 -0.01318 -0.00462 -0.00686 16 2 H 1S 0.04854 -0.09263 -0.02670 0.01847 0.00895 17 2S -0.14794 0.07423 -0.43558 0.18433 0.11039 18 3 C 1S 0.00772 0.04914 -0.06116 -0.00214 -0.00129 19 2S -0.01976 -0.05110 0.03526 -0.00799 0.02193 20 2PX 0.06478 0.02936 -0.10759 0.06953 -0.02047 21 2PY -0.01767 -0.19978 -0.04472 0.03374 -0.03090 22 2PZ -0.15600 0.04038 0.10438 0.05956 0.00494 23 3S -0.14091 -1.39661 1.97720 -0.08644 -0.13736 24 3PX 0.35979 -0.00157 -0.90133 0.13503 -0.04307 25 3PY -0.17582 -1.37895 -0.73237 -0.09732 -0.22965 26 3PZ -0.57624 0.29784 0.78918 -0.00181 -0.03222 27 4XX -0.00609 -0.00239 -0.01760 0.01094 -0.00255 28 4YY 0.00105 0.02473 0.00733 -0.01045 0.00335 29 4ZZ 0.00480 -0.01759 -0.00114 -0.00623 0.00020 30 4XY -0.00239 0.00349 -0.02272 -0.00376 -0.00019 31 4XZ 0.00236 0.01440 0.01143 0.00792 -0.00111 32 4YZ 0.00641 0.00076 0.02429 -0.00024 -0.00158 33 4 H 1S -0.00080 -0.06442 0.08429 -0.04240 0.00080 34 2S -0.70052 -0.13154 0.19467 -0.06265 -0.05963 35 5 C 1S -0.00767 -0.04923 -0.06115 0.00237 0.00126 36 2S 0.01973 0.05131 0.03525 0.00783 -0.02231 37 2PX -0.06484 -0.02938 -0.10823 -0.06913 0.02072 38 2PY -0.01836 -0.19976 0.04504 0.03374 -0.03079 39 2PZ 0.15630 -0.04041 0.10441 -0.05984 -0.00492 40 3S 0.13872 1.39878 1.97759 0.07852 0.13907 41 3PX -0.36009 0.00144 -0.90516 -0.13137 0.04277 42 3PY -0.17840 -1.37779 0.73177 -0.10052 -0.22912 43 3PZ 0.57722 -0.29865 0.79126 -0.00174 0.03196 44 4XX 0.00611 0.00236 -0.01769 -0.01088 0.00251 45 4YY -0.00103 -0.02467 0.00751 0.01039 -0.00341 46 4ZZ -0.00485 0.01757 -0.00119 0.00624 -0.00018 47 4XY -0.00242 0.00357 0.02265 -0.00387 -0.00020 48 4XZ -0.00232 -0.01440 0.01147 -0.00798 0.00116 49 4YZ 0.00641 0.00066 -0.02427 -0.00014 -0.00159 50 6 H 1S 0.00060 0.06451 0.08432 0.04205 -0.00091 51 2S 0.70287 0.13236 0.19553 0.06175 0.05936 52 7 C 1S 0.00509 -0.05452 0.04998 -0.01193 0.00111 53 2S 0.01901 0.06373 -0.05069 0.01471 0.03166 54 2PX -0.03115 0.03941 -0.16613 0.08634 -0.01371 55 2PY -0.04656 -0.04801 0.13018 0.02939 -0.00227 56 2PZ -0.03051 0.15534 0.17524 0.02945 0.00005 57 3S -0.41741 1.37299 -1.44381 0.20539 -0.12348 58 3PX -0.26571 0.06203 -1.07129 -0.06984 0.13126 59 3PY -0.13494 -0.13827 0.85909 0.07199 0.14673 60 3PZ 0.13763 0.67847 1.01444 0.10750 -0.14351 61 4XX 0.00288 -0.00926 0.01017 0.00493 -0.00617 62 4YY -0.00723 0.02209 -0.00268 -0.00404 0.00160 63 4ZZ 0.00579 -0.01850 -0.00219 -0.00470 0.00849 64 4XY -0.01177 -0.01095 -0.01300 -0.00593 -0.00780 65 4XZ -0.00620 0.01085 -0.00239 -0.00062 0.00589 66 4YZ 0.01993 0.01507 0.01317 -0.00470 -0.00690 67 8 H 1S -0.04860 0.09266 -0.02695 -0.01839 -0.00929 68 2S 0.14600 -0.07516 -0.43604 -0.18281 -0.11054 69 9 C 1S 0.04235 0.02515 0.01175 0.00098 -0.00751 70 2S -0.04852 -0.02434 -0.00769 -0.00881 -0.00489 71 2PX -0.03240 -0.14613 -0.02890 0.00398 -0.01017 72 2PY 0.32597 -0.14238 -0.07105 -0.06973 -0.01888 73 2PZ 0.12562 0.20171 0.02878 0.00667 -0.05855 74 3S -0.69287 -0.42752 -0.49245 -0.01302 0.20395 75 3PX -0.14520 -0.58925 0.15365 0.00207 -0.00997 76 3PY 1.37331 -0.47807 -0.29472 -0.28755 -0.14411 77 3PZ 0.45291 0.90051 0.04783 0.03150 -0.24714 78 4XX -0.01492 0.00163 -0.00572 0.00481 -0.00055 79 4YY 0.02627 -0.00809 0.01243 -0.00500 -0.00125 80 4ZZ -0.00599 0.01033 -0.00595 -0.00216 -0.00273 81 4XY -0.00266 -0.00241 -0.00664 -0.00050 -0.00133 82 4XZ 0.00096 -0.01341 0.00629 -0.00211 -0.01225 83 4YZ 0.00515 0.00508 -0.02346 -0.00165 -0.00202 84 10 H 1S -0.03633 -0.01804 -0.04189 0.00555 -0.02157 85 2S -0.53284 0.09880 0.07630 0.09647 0.19847 86 11 H 1S -0.05911 0.00901 -0.03399 0.01528 0.03026 87 2S -0.65960 -0.47088 0.15258 0.11632 0.11282 88 12 C 1S -0.04259 -0.02516 0.01175 -0.00100 0.00756 89 2S 0.04871 0.02442 -0.00758 0.00886 0.00492 90 2PX 0.03234 0.14637 -0.02940 -0.00392 0.00980 91 2PY 0.32586 -0.14186 0.07100 -0.07002 -0.01892 92 2PZ -0.12539 -0.20188 0.02887 -0.00710 0.05840 93 3S 0.69823 0.42711 -0.49289 0.01441 -0.20553 94 3PX 0.14539 0.59026 0.15132 -0.00256 0.00947 95 3PY 1.37255 -0.47596 0.29475 -0.28845 -0.14388 96 3PZ -0.45354 -0.90145 0.04881 -0.03209 0.24779 97 4XX 0.01496 -0.00165 -0.00573 -0.00478 0.00053 98 4YY -0.02629 0.00811 0.01237 0.00495 0.00126 99 4ZZ 0.00593 -0.01032 -0.00587 0.00219 0.00276 100 4XY -0.00262 -0.00239 0.00661 -0.00052 -0.00138 101 4XZ -0.00090 0.01346 0.00625 0.00205 0.01216 102 4YZ 0.00503 0.00516 0.02349 -0.00173 -0.00195 103 13 H 1S 0.05928 -0.00897 -0.03389 -0.01507 -0.03028 104 2S 0.65841 0.47098 0.15088 -0.11671 -0.11310 105 14 H 1S 0.03656 0.01795 -0.04199 -0.00544 0.02131 106 2S 0.53288 -0.09813 0.07744 -0.09633 -0.19793 107 15 C 1S -0.00706 -0.00782 -0.00110 -0.02273 -0.11317 108 2S -0.00517 0.00673 -0.00363 -0.00727 0.12508 109 2PX 0.02771 -0.03843 0.00322 0.12815 -0.15946 110 2PY 0.04315 -0.00903 0.00561 0.24095 0.14935 111 2PZ 0.00626 -0.05658 0.01920 -0.08448 0.22740 112 3S 0.28459 0.09025 -0.01906 1.25353 2.60203 113 3PX 0.05062 -0.02090 0.03915 0.70836 -1.07747 114 3PY 0.29430 -0.17679 0.02365 1.79355 1.76865 115 3PZ 0.02173 -0.08874 -0.02258 -0.29320 0.98523 116 4XX 0.00158 0.00079 -0.00317 0.00392 0.00539 117 4YY -0.00600 -0.00275 0.00026 -0.02510 -0.02339 118 4ZZ 0.00244 -0.00102 0.00005 0.00402 0.01361 119 4XY -0.00177 -0.00141 -0.00388 -0.00481 -0.00231 120 4XZ -0.00086 0.00204 -0.00062 -0.01353 0.01115 121 4YZ 0.00087 0.00265 -0.00371 -0.00095 -0.00427 122 16 H 1S 0.00770 -0.01325 -0.01273 0.02449 -0.06667 123 2S 0.09411 -0.28184 0.02752 0.34209 0.96233 124 17 C 1S 0.00707 0.00781 -0.00106 0.02274 0.11314 125 2S 0.00509 -0.00683 -0.00353 0.00765 -0.12506 126 2PX -0.02774 0.03874 0.00272 -0.12827 0.15933 127 2PY 0.04315 -0.00897 -0.00478 0.24075 0.14958 128 2PZ -0.00634 0.05663 0.01940 0.08494 -0.22683 129 3S -0.28471 -0.09008 -0.02254 -1.25511 -2.60159 130 3PX -0.05045 0.02108 0.03677 -0.70749 1.07776 131 3PY 0.29424 -0.17709 -0.01783 1.79251 1.77103 132 3PZ -0.02128 0.08837 -0.02208 0.29671 -0.98069 133 4XX -0.00157 -0.00081 -0.00320 -0.00393 -0.00535 134 4YY 0.00599 0.00270 0.00034 0.02514 0.02345 135 4ZZ -0.00244 0.00106 0.00006 -0.00403 -0.01372 136 4XY -0.00176 -0.00146 0.00387 -0.00484 -0.00223 137 4XZ 0.00086 -0.00204 -0.00055 0.01349 -0.01116 138 4YZ 0.00092 0.00267 0.00372 -0.00090 -0.00420 139 18 H 1S -0.00776 0.01324 -0.01283 -0.02440 0.06612 140 2S -0.09438 0.28194 0.02587 -0.34179 -0.96053 141 19 O 1S -0.00212 0.00067 -0.00134 -0.01841 0.04214 142 2S 0.00232 -0.01330 -0.02264 0.05337 -0.03830 143 2PX -0.01725 -0.03936 -0.03639 0.18591 -0.17941 144 2PY 0.00797 0.02605 0.03306 -0.08113 -0.01798 145 2PZ -0.03256 0.00829 -0.01311 -0.15790 0.16694 146 3S 0.00728 0.01950 0.09581 0.17102 -0.92217 147 3PX 0.01104 -0.04501 -0.00171 0.44746 -0.39741 148 3PY -0.01793 0.03113 0.03053 -0.21275 -0.29241 149 3PZ -0.04117 0.04904 -0.00753 -0.41085 0.27625 150 4XX -0.00245 -0.00765 -0.00357 0.00468 0.02427 151 4YY -0.00397 -0.00386 -0.00884 -0.00898 -0.00073 152 4ZZ 0.00187 0.00046 -0.01005 0.00488 0.01829 153 4XY 0.00585 -0.00005 -0.00145 0.02045 0.02167 154 4XZ 0.00773 0.00506 0.00140 -0.00121 0.01206 155 4YZ -0.00538 -0.00457 -0.00269 -0.01791 -0.01723 156 20 O 1S 0.00213 -0.00068 -0.00128 0.01838 -0.04208 157 2S -0.00236 0.01329 -0.02295 -0.05334 0.03807 158 2PX 0.01733 0.03932 -0.03733 -0.18586 0.17942 159 2PY 0.00798 0.02591 -0.03347 -0.08117 -0.01747 160 2PZ 0.03257 -0.00830 -0.01259 0.15762 -0.16670 161 3S -0.00729 -0.01931 0.09570 -0.17011 0.92144 162 3PX -0.01083 0.04507 -0.00340 -0.44726 0.39736 163 3PY -0.01785 0.03114 -0.03137 -0.21354 -0.29133 164 3PZ 0.04114 -0.04897 -0.00601 0.40984 -0.27654 165 4XX 0.00244 0.00766 -0.00361 -0.00469 -0.02432 166 4YY 0.00397 0.00385 -0.00886 0.00906 0.00081 167 4ZZ -0.00189 -0.00049 -0.01011 -0.00496 -0.01838 168 4XY 0.00588 -0.00002 0.00153 0.02045 0.02168 169 4XZ -0.00769 -0.00503 0.00144 0.00121 -0.01203 170 4YZ -0.00535 -0.00456 0.00265 -0.01788 -0.01716 171 21 C 1S 0.00002 0.00002 0.00678 -0.00003 -0.00001 172 2S -0.00008 -0.00007 -0.02250 0.00012 0.00003 173 2PX -0.00007 -0.00003 0.00887 0.00010 0.00010 174 2PY 0.09120 0.07177 -0.00027 -0.03513 0.31615 175 2PZ -0.00017 0.00004 0.02877 -0.00012 0.00040 176 3S -0.00033 -0.00021 -0.05186 0.00016 0.00009 177 3PX -0.00010 -0.00019 -0.03587 0.00042 -0.00010 178 3PY -0.07855 0.09371 -0.00197 -0.95936 -0.10069 179 3PZ -0.00075 0.00000 0.05972 -0.00084 -0.00005 180 4XX -0.00001 -0.00001 -0.00469 0.00000 -0.00001 181 4YY -0.00002 -0.00001 0.00334 0.00000 -0.00003 182 4ZZ 0.00002 0.00002 0.00190 -0.00002 0.00005 183 4XY -0.00725 -0.00631 0.00002 0.00644 -0.01099 184 4XZ 0.00000 -0.00001 -0.00288 0.00002 -0.00002 185 4YZ 0.00157 0.00332 -0.00004 -0.00985 0.01509 186 22 H 1S -0.00003 -0.00004 -0.01419 0.00005 -0.00008 187 2S -0.00020 -0.00005 0.04276 0.00018 0.00002 188 23 H 1S 0.00011 0.00005 0.00720 0.00002 0.00004 189 2S 0.00116 0.00027 -0.06133 -0.00018 -0.00022 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50829 1 1 C 1S -0.08007 0.00703 -0.04120 0.00014 0.00068 2 2S 0.05695 -0.09484 -0.01136 -0.02363 0.13281 3 2PX -0.11043 0.04993 0.05369 -0.24894 0.09738 4 2PY 0.12935 -0.06114 0.06022 0.00787 0.00627 5 2PZ 0.14509 -0.02294 -0.19038 0.19355 -0.07365 6 3S 2.35138 0.01608 2.13871 -0.14899 0.00378 7 3PX 0.28294 -0.03407 1.64543 0.47822 -0.06065 8 3PY 1.87569 0.04485 0.92188 0.00790 0.10230 9 3PZ 0.57314 0.18935 -1.79688 -0.34880 0.17838 10 4XX -0.00037 -0.00239 -0.02191 -0.01139 0.00870 11 4YY -0.00206 0.01230 0.00819 0.00905 0.00647 12 4ZZ 0.00848 -0.02258 0.01418 0.01049 0.00574 13 4XY -0.01693 -0.01246 -0.00690 -0.02817 0.01022 14 4XZ -0.01032 0.00889 0.01361 0.01359 -0.02765 15 4YZ 0.00524 -0.01329 0.01288 0.02803 -0.00008 16 2 H 1S -0.08384 0.07537 0.03334 0.01000 0.02084 17 2S 0.74126 0.00169 0.21738 0.02523 0.07763 18 3 C 1S 0.09297 -0.00185 0.03360 0.00378 0.00423 19 2S -0.03045 -0.05818 -0.01604 -0.06471 0.33224 20 2PX 0.04083 0.09903 0.16318 0.12693 -0.08397 21 2PY -0.15081 -0.04914 0.22086 0.24826 0.03549 22 2PZ -0.11632 0.12572 -0.11110 -0.13638 0.06461 23 3S -3.56238 0.18406 -1.45328 0.00012 -0.36828 24 3PX 1.02387 -0.07737 1.81175 -0.14050 0.06449 25 3PY -2.25441 -0.02954 1.71281 -0.36822 -0.01960 26 3PZ -1.26461 -0.12339 -1.45053 0.15537 -0.07929 27 4XX -0.00256 0.00700 0.01392 -0.01025 0.00994 28 4YY 0.00678 -0.00891 -0.02035 0.02335 0.04658 29 4ZZ -0.00737 -0.00206 -0.00204 -0.01745 0.01517 30 4XY -0.00891 -0.00699 -0.00308 -0.01911 0.00377 31 4XZ 0.00498 0.00170 -0.00256 0.01940 -0.03192 32 4YZ 0.00827 0.00594 0.00452 0.01980 -0.00081 33 4 H 1S 0.04077 0.00367 0.03592 0.01152 0.07754 34 2S -1.03648 -0.08051 -0.42417 -0.04207 0.04266 35 5 C 1S -0.09297 -0.00216 -0.03354 0.00379 0.00423 36 2S 0.03008 -0.05785 0.01656 -0.06468 0.33220 37 2PX -0.04078 0.09764 -0.16417 0.12704 -0.08385 38 2PY -0.15069 0.05032 0.22066 -0.24757 -0.03578 39 2PZ 0.11584 0.12657 0.11075 -0.13670 0.06454 40 3S 3.56255 0.19746 1.44780 0.00120 -0.36927 41 3PX -1.02201 -0.08953 -1.81194 -0.14267 0.06568 42 3PY -2.25785 0.03669 1.70604 0.36984 0.01796 43 3PZ 1.26080 -0.11262 1.45178 0.15686 -0.08013 44 4XX 0.00254 0.00693 -0.01399 -0.01033 0.00996 45 4YY -0.00694 -0.00871 0.02035 0.02348 0.04657 46 4ZZ 0.00747 -0.00206 0.00217 -0.01748 0.01513 47 4XY -0.00894 0.00694 -0.00324 0.01905 -0.00378 48 4XZ -0.00498 0.00169 0.00246 0.01944 -0.03192 49 4YZ 0.00821 -0.00590 0.00469 -0.01970 0.00085 50 6 H 1S -0.04079 0.00353 -0.03623 0.01161 0.07757 51 2S 1.03632 -0.07622 0.42469 -0.04190 0.04274 52 7 C 1S 0.08006 0.00741 0.04112 0.00014 0.00066 53 2S -0.05664 -0.09499 0.01214 -0.02333 0.13235 54 2PX 0.11002 0.04980 -0.05343 -0.24890 0.09756 55 2PY 0.12919 0.06194 0.05922 -0.00838 -0.00575 56 2PZ -0.14466 -0.02261 0.19039 0.19381 -0.07412 57 3S -2.35122 0.00033 -2.13605 -0.15077 0.00546 58 3PX -0.28581 -0.04494 -1.64572 0.47680 -0.05903 59 3PY 1.87571 -0.03717 0.91636 -0.00633 -0.10365 60 3PZ -0.57009 0.19985 1.79465 -0.34602 0.17662 61 4XX 0.00042 -0.00229 0.02201 -0.01144 0.00872 62 4YY 0.00197 0.01229 -0.00831 0.00923 0.00638 63 4ZZ -0.00837 -0.02269 -0.01407 0.01039 0.00565 64 4XY -0.01705 0.01241 -0.00697 0.02811 -0.01020 65 4XZ 0.01028 0.00880 -0.01377 0.01366 -0.02768 66 4YZ 0.00522 0.01344 0.01275 -0.02800 0.00003 67 8 H 1S 0.08362 0.07562 -0.03361 0.01004 0.02077 68 2S -0.74012 -0.00086 -0.21685 0.02503 0.07772 69 9 C 1S -0.05780 -0.00528 -0.00860 -0.00042 -0.00110 70 2S -0.02157 -0.06891 0.00028 -0.06015 -0.00092 71 2PX -0.01475 0.16217 -0.01089 0.07795 0.21390 72 2PY 0.02817 0.05232 -0.18930 0.29512 0.02121 73 2PZ -0.08599 0.16487 0.15310 -0.03990 0.00807 74 3S 1.82611 0.05367 0.03602 0.21127 -0.08735 75 3PX 0.50835 -0.23888 0.06596 -0.13927 -0.28018 76 3PY -0.40484 -0.05417 -1.14329 -0.30742 -0.05869 77 3PZ -1.62428 -0.14284 0.39984 0.03694 0.01635 78 4XX 0.01911 -0.00215 -0.00419 0.01281 -0.00772 79 4YY 0.00212 -0.01660 -0.00720 -0.06118 -0.00623 80 4ZZ -0.02746 -0.00827 0.01038 0.03539 0.00306 81 4XY -0.00207 0.02133 -0.00262 0.01228 0.02776 82 4XZ 0.01020 0.02777 0.02001 -0.00814 0.04337 83 4YZ -0.00175 0.01507 -0.00799 -0.01233 0.00196 84 10 H 1S 0.05915 0.14020 0.06580 0.02993 0.17018 85 2S 0.28296 -0.06705 -0.03715 -0.04897 -0.06079 86 11 H 1S 0.05307 -0.08413 -0.07698 0.02341 -0.14639 87 2S 0.17267 -0.08831 0.11376 -0.07993 -0.02132 88 12 C 1S 0.05783 -0.00512 0.00860 -0.00042 -0.00109 89 2S 0.02159 -0.06917 0.00011 -0.06017 -0.00084 90 2PX 0.01405 0.16201 0.00975 0.07811 0.21369 91 2PY 0.02777 -0.05389 -0.18905 -0.29548 -0.02121 92 2PZ 0.08575 0.16421 -0.15414 -0.04084 0.00817 93 3S -1.82692 0.05190 -0.03486 0.21194 -0.08717 94 3PX -0.50944 -0.24029 -0.06287 -0.13899 -0.28033 95 3PY -0.40727 0.04704 -1.14342 0.30583 0.05984 96 3PZ 1.62442 -0.14310 -0.40135 0.03654 0.01725 97 4XX -0.01903 -0.00224 0.00430 0.01282 -0.00779 98 4YY -0.00218 -0.01650 0.00722 -0.06120 -0.00621 99 4ZZ 0.02746 -0.00826 -0.01038 0.03539 0.00315 100 4XY -0.00209 -0.02139 -0.00232 -0.01223 -0.02784 101 4XZ -0.01037 0.02755 -0.02013 -0.00821 0.04324 102 4YZ -0.00174 -0.01511 -0.00789 0.01213 -0.00195 103 13 H 1S -0.05307 -0.08385 0.07787 0.02349 -0.14641 104 2S -0.17322 -0.08968 -0.11361 -0.07991 -0.02179 105 14 H 1S -0.05932 0.13957 -0.06654 0.02987 0.16994 106 2S -0.28276 -0.06697 0.03741 -0.04885 -0.06066 107 15 C 1S 0.00851 -0.00403 -0.00858 -0.00100 0.02781 108 2S 0.00017 -0.21666 0.06424 0.08121 0.01582 109 2PX 0.01213 -0.05439 -0.10206 -0.19449 0.16373 110 2PY -0.01514 -0.31633 -0.06874 -0.02020 0.20543 111 2PZ 0.02126 0.10382 0.11284 -0.10977 -0.29607 112 3S -0.24240 0.06119 -0.06738 -0.02939 -0.07321 113 3PX -0.05984 0.04814 -0.10845 0.22595 -0.16235 114 3PY -0.09802 0.42444 -0.15198 -0.02411 -0.19026 115 3PZ -0.03037 -0.22550 0.10008 0.13179 0.32365 116 4XX -0.00109 0.00759 0.00255 0.00454 -0.00940 117 4YY 0.00324 -0.07471 0.00928 0.00705 0.01802 118 4ZZ -0.00223 0.02584 -0.00887 0.00180 0.03214 119 4XY 0.00288 0.00269 0.00247 -0.01433 0.02752 120 4XZ 0.00117 0.02776 0.00463 -0.00538 -0.02619 121 4YZ -0.00142 -0.00277 0.00128 0.02038 0.00774 122 16 H 1S 0.00193 -0.07849 -0.02175 0.08504 0.19786 123 2S 0.07203 -0.02391 0.03014 -0.08784 0.04211 124 17 C 1S -0.00852 -0.00393 0.00861 -0.00101 0.02782 125 2S 0.00058 -0.21695 -0.06305 0.08086 0.01526 126 2PX -0.01242 -0.05347 0.10315 -0.19421 0.16452 127 2PY -0.01584 0.31626 -0.07044 0.01993 -0.20517 128 2PZ -0.02137 0.10305 -0.11363 -0.10966 -0.29687 129 3S 0.24243 0.06211 0.06687 -0.02873 -0.07268 130 3PX 0.06063 0.04784 0.10744 0.22585 -0.16315 131 3PY -0.09690 -0.42539 -0.14956 0.02416 0.19089 132 3PZ 0.03023 -0.22607 -0.09929 0.13233 0.32488 133 4XX 0.00105 0.00757 -0.00267 0.00458 -0.00943 134 4YY -0.00303 -0.07461 -0.00883 0.00698 0.01799 135 4ZZ 0.00216 0.02596 0.00877 0.00176 0.03211 136 4XY 0.00298 -0.00277 0.00242 0.01434 -0.02746 137 4XZ -0.00127 0.02764 -0.00477 -0.00535 -0.02622 138 4YZ -0.00144 0.00250 0.00129 -0.02035 -0.00775 139 18 H 1S -0.00191 -0.07786 0.02215 0.08493 0.19773 140 2S -0.07267 -0.02488 -0.02984 -0.08730 0.04187 141 19 O 1S -0.00187 0.01083 0.00845 0.00174 -0.01451 142 2S 0.02436 0.05184 0.01321 0.03069 0.13468 143 2PX 0.04315 -0.06617 -0.01156 -0.02353 -0.00469 144 2PY -0.02805 0.08540 -0.04272 -0.07259 0.11374 145 2PZ 0.01780 0.04884 0.07949 -0.00520 -0.13800 146 3S 0.02181 -0.49438 -0.13070 -0.07022 -0.26392 147 3PX -0.00350 0.04399 -0.11394 -0.07298 -0.06728 148 3PY 0.01764 -0.33898 0.01548 0.01400 -0.01200 149 3PZ 0.00906 -0.00460 0.06755 -0.07326 -0.03840 150 4XX 0.00510 0.05361 0.01288 0.00813 0.01020 151 4YY 0.01151 -0.05517 0.01130 0.01384 0.02053 152 4ZZ 0.00650 0.04800 0.01684 0.02074 0.02279 153 4XY -0.00422 0.02191 0.00789 0.01262 -0.00400 154 4XZ -0.00981 0.01916 -0.01776 -0.01576 0.03914 155 4YZ 0.00900 -0.02345 0.00255 -0.00086 0.00748 156 20 O 1S 0.00185 0.01077 -0.00853 0.00173 -0.01452 157 2S -0.02446 0.05187 -0.01359 0.03073 0.13462 158 2PX -0.04326 -0.06605 0.01198 -0.02340 -0.00444 159 2PY -0.02795 -0.08588 -0.04231 0.07265 -0.11327 160 2PZ -0.01787 0.04807 -0.07995 -0.00522 -0.13857 161 3S -0.02097 -0.49405 0.13394 -0.07039 -0.26339 162 3PX 0.00342 0.04446 0.11383 -0.07308 -0.06782 163 3PY 0.01706 0.33915 0.01357 -0.01388 0.01180 164 3PZ -0.00918 -0.00421 -0.06735 -0.07325 -0.03793 165 4XX -0.00516 0.05352 -0.01322 0.00813 0.01013 166 4YY -0.01148 -0.05532 -0.01100 0.01387 0.02061 167 4ZZ -0.00656 0.04801 -0.01718 0.02072 0.02276 168 4XY -0.00423 -0.02179 0.00804 -0.01257 0.00409 169 4XZ 0.00973 0.01926 0.01772 -0.01577 0.03916 170 4YZ 0.00899 0.02320 0.00241 0.00081 -0.00763 171 21 C 1S -0.00001 0.01004 -0.00002 -0.00756 0.01608 172 2S 0.00019 -0.36572 0.00110 0.00668 -0.09777 173 2PX 0.00015 -0.37691 0.00124 -0.13879 -0.29015 174 2PY -0.10843 -0.00020 0.00499 0.00025 0.00096 175 2PZ -0.00019 0.31851 -0.00101 -0.05654 -0.03635 176 3S -0.00055 0.91959 -0.00297 0.07160 0.12204 177 3PX -0.00009 0.79843 -0.00288 0.39787 0.43581 178 3PY 0.12639 0.00077 0.10556 -0.00027 -0.00191 179 3PZ 0.00041 -0.70965 0.00244 0.12354 0.34509 180 4XX 0.00001 -0.01089 0.00000 0.02612 0.03731 181 4YY 0.00001 0.03632 -0.00009 -0.00517 -0.00494 182 4ZZ -0.00002 -0.01433 0.00007 -0.02865 -0.01858 183 4XY 0.00484 0.00001 0.00374 -0.00002 -0.00002 184 4XZ 0.00000 0.01528 -0.00007 0.01366 -0.00820 185 4YZ -0.00822 0.00001 -0.00878 0.00004 0.00005 186 22 H 1S 0.00002 0.05633 -0.00032 0.11209 0.14998 187 2S 0.00019 0.05052 -0.00020 0.09429 0.07494 188 23 H 1S -0.00004 0.03696 -0.00007 -0.07928 -0.08966 189 2S -0.00001 0.00404 0.00005 -0.07711 -0.24453 71 72 73 74 75 V V V V V Eigenvalues -- 0.52317 0.54652 0.54788 0.54867 0.56890 1 1 C 1S 0.00900 0.00577 -0.00043 0.00290 0.01406 2 2S -0.00250 -0.04058 -0.05270 -0.00411 -0.08434 3 2PX -0.10645 0.08717 0.07040 0.10162 -0.31267 4 2PY 0.03805 -0.07119 -0.15595 -0.08886 0.03837 5 2PZ -0.12383 -0.07873 -0.04467 0.04576 0.10999 6 3S -0.34107 0.12435 0.16713 0.27670 -1.12948 7 3PX 0.14036 -0.16028 -0.19042 -0.04827 0.10168 8 3PY -0.32875 0.12600 0.27457 0.41219 -0.75664 9 3PZ 0.35673 -0.01547 0.02184 -0.03808 0.21390 10 4XX 0.01346 -0.00305 -0.02928 0.00055 0.00212 11 4YY 0.01941 0.00330 0.05576 -0.00769 -0.01851 12 4ZZ -0.02602 -0.00130 -0.03672 0.01725 -0.00658 13 4XY 0.00178 -0.00200 0.00004 -0.01276 -0.00498 14 4XZ 0.01486 -0.00916 0.00265 -0.02604 0.04100 15 4YZ -0.03552 0.01188 0.01278 0.01921 -0.02395 16 2 H 1S 0.04043 0.05033 0.26432 -0.01701 -0.11438 17 2S -0.13421 0.00957 -0.08788 0.20359 -0.24311 18 3 C 1S -0.00607 -0.00115 0.00960 -0.00155 -0.04588 19 2S -0.18015 0.01929 0.09687 0.19025 -0.09184 20 2PX -0.01246 0.02157 -0.01781 0.19923 -0.01918 21 2PY -0.18859 -0.04999 -0.00245 0.09631 0.23967 22 2PZ 0.04486 0.04395 -0.16534 0.26753 -0.07362 23 3S 0.37977 0.05991 -0.15078 -0.28077 0.97593 24 3PX -0.09686 -0.01682 0.00029 -0.05753 -0.66292 25 3PY 0.22957 0.14544 -0.03544 -0.19746 -0.32878 26 3PZ -0.04057 0.00033 0.14725 -0.27172 0.61388 27 4XX 0.01532 -0.00496 -0.00706 0.00154 0.01364 28 4YY -0.04921 0.01481 0.01358 0.04494 -0.06030 29 4ZZ 0.00327 -0.00332 0.02892 -0.01493 -0.00276 30 4XY -0.00932 0.00509 -0.03006 0.01813 -0.00502 31 4XZ 0.00371 -0.00351 -0.04133 0.00947 0.03638 32 4YZ 0.00027 -0.00484 0.03180 0.00196 0.00583 33 4 H 1S -0.01085 0.01251 0.26253 -0.05627 -0.16882 34 2S -0.04798 0.06884 -0.11807 0.01295 0.20212 35 5 C 1S -0.00607 0.00063 0.00981 -0.00163 0.04600 36 2S -0.18009 -0.02190 0.09617 0.19044 0.09082 37 2PX -0.01276 -0.01794 -0.01888 0.19921 0.02034 38 2PY 0.18849 -0.05124 0.00069 -0.09610 0.23720 39 2PZ 0.04513 -0.03184 -0.16731 0.26775 0.07342 40 3S 0.37961 -0.05489 -0.15659 -0.27757 -0.97538 41 3PX -0.09665 0.01528 0.00475 -0.05896 0.66261 42 3PY -0.22980 0.14569 0.03867 0.19616 -0.32449 43 3PZ -0.04120 -0.01115 0.14466 -0.26977 -0.61415 44 4XX 0.01530 0.00531 -0.00685 0.00156 -0.01361 45 4YY -0.04919 -0.01494 0.01315 0.04506 0.06045 46 4ZZ 0.00328 0.00171 0.02896 -0.01500 0.00255 47 4XY 0.00939 0.00325 0.03028 -0.01827 -0.00529 48 4XZ 0.00374 0.00575 -0.04117 0.00941 -0.03632 49 4YZ -0.00036 -0.00317 -0.03205 -0.00180 0.00621 50 6 H 1S -0.01085 -0.02703 0.26215 -0.05618 0.16764 51 2S -0.04798 -0.06220 -0.12181 0.01440 -0.20170 52 7 C 1S 0.00900 -0.00570 -0.00076 0.00302 -0.01444 53 2S -0.00204 0.04382 -0.05049 -0.00531 0.08370 54 2PX -0.10655 -0.08914 0.06697 0.10201 0.31256 55 2PY -0.03801 -0.07895 0.15222 0.08988 0.03755 56 2PZ -0.12381 0.08175 -0.04127 0.04420 -0.10949 57 3S -0.34213 -0.13142 0.16552 0.27660 1.12963 58 3PX 0.14083 0.16970 -0.18099 -0.05032 -0.09858 59 3PY 0.32873 0.13705 -0.26992 -0.41214 -0.75496 60 3PZ 0.35745 0.01467 0.01926 -0.03782 -0.21741 61 4XX 0.01347 0.00466 -0.02909 0.00048 -0.00181 62 4YY 0.01938 -0.00639 0.05561 -0.00762 0.01796 63 4ZZ -0.02594 0.00347 -0.03662 0.01711 0.00631 64 4XY -0.00181 -0.00191 -0.00020 0.01288 -0.00458 65 4XZ 0.01477 0.00871 0.00299 -0.02603 -0.04044 66 4YZ 0.03565 0.01227 -0.01204 -0.01938 -0.02377 67 8 H 1S 0.04055 -0.06461 0.26178 -0.01641 0.11106 68 2S -0.13448 -0.00302 -0.08771 0.20306 0.24353 69 9 C 1S 0.00316 0.00387 0.00075 0.00090 -0.00260 70 2S -0.11651 -0.04062 -0.06304 0.09993 0.11636 71 2PX -0.01434 -0.10185 -0.06769 0.23213 0.04365 72 2PY -0.07469 0.06845 0.19517 -0.06760 0.05663 73 2PZ 0.27286 0.10814 0.10183 -0.27142 -0.16847 74 3S 0.15293 0.28792 -0.16838 -0.21933 -0.55878 75 3PX -0.00060 -0.05127 0.11720 -0.25983 -0.31143 76 3PY 0.04484 -0.15268 -0.25495 0.11957 0.31205 77 3PZ -0.32980 -0.08095 -0.06302 0.35105 0.42632 78 4XX 0.00288 -0.01080 0.02631 -0.03029 -0.00345 79 4YY -0.00475 0.01068 -0.04666 0.02846 0.00384 80 4ZZ -0.01542 0.00927 -0.00698 0.01705 -0.00002 81 4XY 0.00623 0.00308 -0.02241 0.01516 0.00012 82 4XZ 0.02145 -0.00629 -0.00229 0.01436 0.01264 83 4YZ 0.00580 -0.00502 0.03297 0.01497 0.00823 84 10 H 1S 0.06257 -0.00798 0.06163 0.05835 0.06023 85 2S -0.05190 0.04621 -0.01642 -0.02836 0.01691 86 11 H 1S -0.00177 -0.01948 0.15751 -0.13167 -0.08402 87 2S -0.01802 -0.15898 0.00398 0.10957 -0.22175 88 12 C 1S 0.00315 -0.00388 0.00060 0.00101 0.00271 89 2S -0.11637 0.04476 -0.06145 0.09932 -0.11703 90 2PX -0.01476 0.10842 -0.06217 0.23149 -0.04361 91 2PY 0.07424 0.07927 -0.19103 0.06699 0.05919 92 2PZ 0.27259 -0.11572 0.09658 -0.26987 0.17049 93 3S 0.15247 -0.28115 -0.18205 -0.21656 0.56247 94 3PX -0.00003 0.04134 0.11969 -0.26154 0.31112 95 3PY -0.04445 -0.16646 0.24878 -0.11880 0.30861 96 3PZ -0.32936 0.08704 -0.05827 0.35080 -0.42799 97 4XX 0.00286 0.00908 0.02674 -0.03046 0.00329 98 4YY -0.00474 -0.00801 -0.04707 0.02863 -0.00348 99 4ZZ -0.01540 -0.00867 -0.00749 0.01717 0.00007 100 4XY -0.00627 0.00163 0.02257 -0.01525 -0.00010 101 4XZ 0.02148 0.00668 -0.00190 0.01411 -0.01260 102 4YZ -0.00576 -0.00334 -0.03321 -0.01489 0.00844 103 13 H 1S -0.00184 0.00941 0.15825 -0.13182 0.08312 104 2S -0.01812 0.15970 0.01313 0.10753 0.22191 105 14 H 1S 0.06259 0.00583 0.06193 0.05799 -0.06051 106 2S -0.05183 -0.04532 -0.01897 -0.02785 -0.01683 107 15 C 1S -0.00949 -0.04589 -0.00782 -0.02109 -0.01977 108 2S 0.01738 0.04885 -0.16489 0.00620 0.08356 109 2PX -0.33544 0.13923 0.29328 -0.00091 -0.43692 110 2PY -0.06256 0.18266 -0.12597 -0.18792 -0.07013 111 2PZ -0.13087 0.03189 0.02911 0.07922 0.05671 112 3S -0.14323 1.08335 0.03818 -0.14602 0.12764 113 3PX 0.40175 -0.66970 -0.55689 -0.14011 0.89785 114 3PY 0.19315 0.71562 0.39854 0.35273 0.13379 115 3PZ 0.17637 0.26904 0.15927 -0.03218 -0.07705 116 4XX -0.02496 0.00952 -0.00417 0.00140 -0.01647 117 4YY 0.00109 -0.02089 -0.03150 -0.00927 0.00724 118 4ZZ 0.00253 0.00949 0.01565 -0.00806 -0.02208 119 4XY -0.02337 0.01204 0.04799 0.00793 0.00652 120 4XZ 0.01115 0.01115 0.01560 0.02019 0.02840 121 4YZ 0.02614 -0.01537 -0.00233 -0.00875 0.00041 122 16 H 1S 0.09096 -0.08840 0.00036 -0.12326 -0.04154 123 2S 0.08683 0.38455 0.32284 0.18452 -0.03466 124 17 C 1S -0.00942 0.04603 -0.00523 -0.02162 0.01973 125 2S 0.01681 -0.04057 -0.16724 0.00665 -0.08553 126 2PX -0.33504 -0.15445 0.28697 0.00052 0.43682 127 2PY 0.06261 0.17742 0.13613 0.18571 -0.07082 128 2PZ -0.13057 -0.03301 0.02673 0.07962 -0.05816 129 3S -0.14375 -1.08428 -0.02118 -0.13283 -0.12350 130 3PX 0.40305 0.69689 -0.52342 -0.14770 -0.89881 131 3PY -0.19207 0.73297 -0.35964 -0.36143 0.13583 132 3PZ 0.17579 -0.27465 0.14560 -0.02898 0.07834 133 4XX -0.02495 -0.00927 -0.00465 0.00147 0.01663 134 4YY 0.00106 0.02246 -0.03015 -0.00954 -0.00742 135 4ZZ 0.00248 -0.01043 0.01517 -0.00793 0.02181 136 4XY 0.02334 0.01448 -0.04733 -0.00816 0.00659 137 4XZ 0.01122 -0.01173 0.01474 0.02025 -0.02827 138 4YZ -0.02611 -0.01523 0.00134 0.00890 0.00070 139 18 H 1S 0.09128 0.08660 0.00567 -0.12407 0.04010 140 2S 0.08633 -0.39808 0.30123 0.18891 0.03388 141 19 O 1S -0.00211 0.00735 0.00138 0.00430 0.00343 142 2S -0.13998 -0.09664 -0.01522 -0.15607 -0.07793 143 2PX -0.10181 0.02495 0.07734 -0.02797 -0.10057 144 2PY -0.15663 -0.21040 -0.04525 -0.11556 -0.14897 145 2PZ -0.08780 -0.05646 -0.03909 -0.04634 0.04607 146 3S 0.61684 0.27859 0.08715 0.56769 0.54535 147 3PX -0.00954 -0.21732 -0.05595 0.01119 -0.04176 148 3PY 0.19741 0.01618 0.02216 0.15447 0.09892 149 3PZ -0.12186 0.25684 0.07071 0.01131 -0.02085 150 4XX -0.04011 -0.02042 -0.01326 -0.03962 0.00328 151 4YY 0.00207 -0.00052 0.02091 -0.00637 -0.01383 152 4ZZ -0.04398 -0.01470 -0.01067 -0.04206 0.00358 153 4XY 0.00358 -0.05351 -0.01967 -0.01227 -0.00363 154 4XZ -0.03600 -0.01664 0.01251 -0.02826 -0.05637 155 4YZ 0.00379 0.05877 0.02410 0.01756 -0.00435 156 20 O 1S -0.00214 -0.00740 0.00098 0.00439 -0.00341 157 2S -0.13993 0.09570 -0.00957 -0.15715 0.07758 158 2PX -0.10173 -0.02947 0.07634 -0.02765 0.10081 159 2PY 0.15679 -0.21172 0.03357 0.11808 -0.14970 160 2PZ -0.08783 0.05717 -0.03615 -0.04684 -0.04648 161 3S 0.61743 -0.27681 0.07000 0.57066 -0.54595 162 3PX -0.00932 0.21983 -0.04438 0.00857 0.04097 163 3PY -0.19738 0.01608 -0.02108 -0.15460 0.09882 164 3PZ -0.12239 -0.26008 0.05686 0.01399 0.02171 165 4XX -0.04010 0.02064 -0.01214 -0.03988 -0.00360 166 4YY 0.00211 -0.00088 0.02110 -0.00629 0.01378 167 4ZZ -0.04407 0.01496 -0.00985 -0.04228 -0.00361 168 4XY -0.00349 -0.05435 0.01682 0.01296 -0.00361 169 4XZ -0.03597 0.01563 0.01357 -0.02840 0.05655 170 4YZ -0.00375 0.05974 -0.02091 -0.01817 -0.00427 171 21 C 1S -0.01516 0.00001 -0.00355 -0.02241 0.00003 172 2S 0.14617 -0.00240 0.13285 0.25194 -0.00023 173 2PX 0.06790 -0.00339 0.17486 0.28195 0.00031 174 2PY 0.00065 -0.85334 -0.02285 0.00524 -0.25711 175 2PZ -0.45824 0.00334 -0.22539 -0.30889 -0.00021 176 3S -0.30170 0.00433 -0.23155 -0.34981 -0.00004 177 3PX -0.11518 0.01331 -0.63192 -0.66325 -0.00142 178 3PY -0.00110 1.46656 0.03911 -0.00943 0.53717 179 3PZ 0.94715 -0.01152 0.72534 0.94827 0.00086 180 4XX 0.02769 -0.00011 0.00796 0.01273 -0.00001 181 4YY -0.03413 0.00067 -0.02552 -0.01970 0.00005 182 4ZZ -0.03183 -0.00039 0.00560 -0.02081 -0.00004 183 4XY -0.00001 0.04316 0.00124 -0.00024 0.03031 184 4XZ -0.00049 0.00072 -0.03051 -0.01655 -0.00006 185 4YZ 0.00001 -0.05045 -0.00142 0.00030 -0.02431 186 22 H 1S 0.06053 0.00222 -0.09346 -0.06926 -0.00020 187 2S 0.03883 0.00457 -0.19540 -0.13720 -0.00063 188 23 H 1S -0.16528 0.00189 -0.12981 -0.23029 -0.00021 189 2S -0.22740 0.00300 -0.19987 -0.31385 0.00010 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60744 0.61336 0.61823 0.63631 1 1 C 1S -0.04650 0.03167 -0.00310 0.02896 0.00118 2 2S 0.00238 0.03589 -0.14753 -0.06665 -0.05574 3 2PX -0.02122 0.01646 -0.15791 0.19140 -0.12263 4 2PY 0.11269 -0.11539 -0.06900 0.08195 0.01369 5 2PZ 0.00264 0.12633 -0.05754 0.22955 -0.47176 6 3S -0.11349 0.08287 0.47041 -0.23622 0.47148 7 3PX 0.30309 -0.44784 0.09868 -0.43348 0.18829 8 3PY -0.07324 0.25437 0.41688 -0.77549 0.27017 9 3PZ -0.12872 0.32320 0.04868 -0.09377 0.60637 10 4XX 0.02326 -0.01987 -0.01641 0.03090 -0.01821 11 4YY -0.03230 0.03866 -0.02973 -0.03225 0.01876 12 4ZZ -0.04540 0.03144 0.02853 0.01893 -0.00445 13 4XY -0.03583 0.02156 -0.02097 0.01445 -0.02077 14 4XZ 0.06395 -0.05119 -0.02230 -0.00572 -0.01097 15 4YZ -0.01027 0.03595 -0.02638 0.01202 -0.01814 16 2 H 1S -0.23810 0.16206 -0.10915 -0.05819 0.02448 17 2S 0.00975 0.03571 0.24761 -0.31266 0.05977 18 3 C 1S 0.02323 -0.01963 -0.00849 -0.02394 0.02651 19 2S -0.06312 0.14570 -0.12687 -0.22159 -0.02201 20 2PX 0.22338 0.05272 -0.48178 -0.08509 -0.27029 21 2PY 0.28097 -0.11333 0.06882 -0.17398 -0.07816 22 2PZ -0.12512 0.25306 -0.26151 0.06669 -0.15316 23 3S -0.05133 -0.01328 0.11578 0.67989 -0.29939 24 3PX -0.19582 -0.31413 0.61730 -0.09791 0.61439 25 3PY -0.30038 -0.25194 -0.23276 0.19498 -0.08437 26 3PZ 0.02301 0.02130 0.09224 0.11299 -0.10004 27 4XX -0.01065 -0.00297 0.01412 -0.02522 0.02656 28 4YY 0.02698 0.01852 -0.00212 -0.04636 0.01850 29 4ZZ 0.00417 -0.00155 -0.06270 0.00917 -0.02968 30 4XY 0.01575 -0.00209 -0.02494 0.01465 0.01090 31 4XZ -0.01716 0.01518 0.04328 0.03493 -0.01487 32 4YZ -0.02144 0.00112 -0.02855 -0.02744 0.00035 33 4 H 1S 0.01192 -0.03919 -0.20329 -0.23062 0.06894 34 2S -0.00124 0.13844 -0.08631 0.12436 -0.16925 35 5 C 1S 0.02271 0.02009 -0.00855 -0.02349 -0.02650 36 2S -0.06282 -0.14301 -0.12596 -0.22440 0.02163 37 2PX 0.22281 -0.05247 -0.48302 -0.08634 0.26877 38 2PY -0.28198 -0.11768 -0.06840 0.17159 -0.07912 39 2PZ -0.12526 -0.25656 -0.26105 0.06168 0.15186 40 3S -0.04270 0.00213 0.11452 0.67813 0.29993 41 3PX -0.20284 0.31789 0.61810 -0.09035 -0.61213 42 3PY 0.30423 -0.24561 0.23563 -0.20027 -0.08311 43 3PZ 0.02966 -0.02274 0.09277 0.11178 0.09991 44 4XX -0.01049 0.00335 0.01419 -0.02510 -0.02656 45 4YY 0.02649 -0.01766 -0.00208 -0.04678 -0.01837 46 4ZZ 0.00416 0.00113 -0.06271 0.00924 0.02944 47 4XY -0.01574 -0.00174 0.02485 -0.01472 0.01088 48 4XZ -0.01683 -0.01562 0.04339 0.03449 0.01496 49 4YZ 0.02139 0.00082 0.02869 0.02737 0.00048 50 6 H 1S 0.01044 0.04225 -0.20341 -0.22968 -0.06993 51 2S 0.00155 -0.14090 -0.08612 0.12117 0.16871 52 7 C 1S -0.04615 -0.03242 -0.00287 0.02831 -0.00132 53 2S 0.00200 -0.03480 -0.14774 -0.06688 0.05517 54 2PX -0.02411 -0.02120 -0.15855 0.19067 0.12160 55 2PY -0.11208 -0.11410 0.06984 -0.08482 0.01272 56 2PZ 0.00283 -0.13073 -0.05883 0.22673 0.47135 57 3S -0.12385 -0.07872 0.47160 -0.23660 -0.46934 58 3PX 0.30162 0.45782 0.09745 -0.42447 -0.18775 59 3PY 0.07888 0.24060 -0.41897 0.77934 0.26928 60 3PZ -0.12366 -0.32207 0.05229 -0.09979 -0.60553 61 4XX 0.02309 0.01937 -0.01657 0.03120 0.01820 62 4YY -0.03209 -0.03841 -0.02948 -0.03287 -0.01896 63 4ZZ -0.04528 -0.03172 0.02870 0.01835 0.00443 64 4XY 0.03573 0.02200 0.02096 -0.01392 -0.02053 65 4XZ 0.06398 0.05146 -0.02261 -0.00478 0.01100 66 4YZ 0.01043 0.03641 0.02622 -0.01150 -0.01805 67 8 H 1S -0.23769 -0.16268 -0.10812 -0.06101 -0.02548 68 2S 0.00748 -0.02928 0.24780 -0.31287 -0.05828 69 9 C 1S 0.01473 0.00282 -0.00451 -0.00853 0.02528 70 2S -0.12528 -0.14556 0.01798 -0.02149 -0.23420 71 2PX -0.00882 -0.09494 0.16390 -0.06227 -0.07768 72 2PY -0.24726 0.04297 -0.05532 0.33753 0.31932 73 2PZ 0.33492 0.38677 -0.05421 0.03097 -0.01456 74 3S 0.33051 0.51453 -0.02198 -0.09768 1.00040 75 3PX -0.05044 0.20024 -0.29594 0.20022 0.18547 76 3PY 0.35059 0.02062 0.17940 -0.64546 -0.75593 77 3PZ -0.39457 -1.03750 0.28875 -0.20815 -0.11231 78 4XX -0.00542 0.01670 -0.02307 0.03504 -0.03166 79 4YY 0.01431 -0.00155 0.02663 -0.06347 0.03139 80 4ZZ -0.00035 -0.02045 -0.00269 0.00919 0.00901 81 4XY 0.01810 0.00333 0.01062 0.00905 0.00523 82 4XZ 0.00123 0.00790 0.01007 0.01349 -0.02592 83 4YZ -0.00832 0.00090 -0.00248 -0.04215 -0.01766 84 10 H 1S 0.02426 0.02198 -0.06174 0.03847 0.04348 85 2S 0.03024 0.10342 -0.07078 0.06651 0.17000 86 11 H 1S -0.01228 0.06776 -0.15710 0.00694 0.03265 87 2S -0.01633 0.01740 -0.09272 0.12571 0.13459 88 12 C 1S 0.01479 -0.00260 -0.00437 -0.00865 -0.02528 89 2S -0.12558 0.14544 0.01614 -0.01842 0.23390 90 2PX -0.00966 0.09660 0.16327 -0.06101 0.07878 91 2PY 0.24548 0.05152 0.05368 -0.33617 0.31968 92 2PZ 0.33577 -0.38546 -0.05250 0.02320 0.01603 93 3S 0.32998 -0.51087 -0.01528 -0.10768 -1.00028 94 3PX -0.05165 -0.20547 -0.29554 0.19695 -0.18792 95 3PY -0.35248 0.00435 -0.17671 0.64610 -0.75699 96 3PZ -0.39554 1.03948 0.28352 -0.18711 0.11075 97 4XX -0.00549 -0.01740 -0.02321 0.03476 0.03149 98 4YY 0.01433 0.00294 0.02676 -0.06359 -0.03128 99 4ZZ -0.00032 0.02019 -0.00271 0.00968 -0.00900 100 4XY -0.01814 0.00335 -0.01070 -0.00899 0.00509 101 4XZ 0.00128 -0.00825 0.00989 0.01339 0.02609 102 4YZ 0.00829 0.00026 0.00260 0.04204 -0.01759 103 13 H 1S -0.01298 -0.06848 -0.15672 0.00544 -0.03360 104 2S -0.01877 -0.01971 -0.09259 0.12484 -0.13526 105 14 H 1S 0.02484 -0.02307 -0.06157 0.03817 -0.04348 106 2S 0.03075 -0.10439 -0.06904 0.06429 -0.16959 107 15 C 1S -0.00530 0.01846 -0.01212 -0.00872 0.01492 108 2S -0.34869 0.22917 -0.13662 -0.21498 -0.14482 109 2PX 0.10927 -0.17585 0.12866 0.03819 -0.01367 110 2PY 0.06222 -0.33814 -0.15991 0.06653 -0.23845 111 2PZ -0.12604 0.23756 0.04653 -0.12540 0.11710 112 3S 0.64496 -0.66282 -0.03016 0.45386 0.68330 113 3PX -0.26909 0.53536 -0.15032 -0.13555 0.17451 114 3PY -0.16488 0.33826 0.38999 -0.20865 0.77105 115 3PZ 0.19653 -0.51823 0.00478 0.06075 0.15753 116 4XX 0.01640 -0.02779 -0.02543 0.00512 -0.05027 117 4YY -0.03617 0.06426 -0.03901 -0.01117 0.04331 118 4ZZ -0.01957 -0.00776 0.02293 -0.02930 -0.00395 119 4XY 0.01722 -0.00336 0.01256 0.01355 0.00565 120 4XZ 0.01717 0.00243 0.01813 0.01524 -0.00557 121 4YZ -0.04670 0.00557 -0.00060 -0.05775 0.00840 122 16 H 1S -0.17142 0.09734 -0.00362 -0.28256 0.20208 123 2S 0.04834 -0.04637 0.17975 0.00935 0.24582 124 17 C 1S -0.00538 -0.01845 -0.01186 -0.00922 -0.01506 125 2S -0.34701 -0.22762 -0.13616 -0.21861 0.14290 126 2PX 0.10534 0.17677 0.12689 0.04168 0.01508 127 2PY -0.05885 -0.33563 0.16372 -0.07250 -0.23669 128 2PZ -0.12404 -0.23569 0.04773 -0.12882 -0.11715 129 3S 0.64593 0.65820 -0.03090 0.46951 -0.68245 130 3PX -0.26139 -0.53535 -0.14502 -0.14760 -0.17719 131 3PY 0.15875 0.33216 -0.39610 0.21106 0.76791 132 3PZ 0.19487 0.51815 0.00372 0.06998 -0.15584 133 4XX 0.01609 0.02774 -0.02586 0.00556 0.05014 134 4YY -0.03574 -0.06443 -0.03825 -0.01250 -0.04373 135 4ZZ -0.01964 0.00827 0.02279 -0.02894 0.00407 136 4XY -0.01728 -0.00322 -0.01262 -0.01364 0.00551 137 4XZ 0.01743 -0.00246 0.01810 0.01517 0.00567 138 4YZ 0.04660 0.00460 0.00035 0.05788 0.00839 139 18 H 1S -0.17082 -0.09312 -0.00173 -0.28427 -0.20291 140 2S 0.04919 0.04672 0.18047 0.01133 -0.24399 141 19 O 1S 0.00311 -0.00517 -0.00034 0.00261 -0.00250 142 2S -0.02550 0.02903 -0.02024 -0.06281 0.05414 143 2PX 0.05984 -0.07523 -0.00501 -0.03058 -0.01939 144 2PY 0.10406 -0.09387 -0.03083 0.13820 -0.02634 145 2PZ -0.03172 0.05460 -0.04685 -0.04739 -0.04110 146 3S -0.12710 0.39265 0.09064 0.00516 -0.03952 147 3PX -0.10635 0.16437 0.02244 -0.05181 0.02366 148 3PY -0.01805 0.07621 -0.03019 -0.02643 -0.03811 149 3PZ 0.10312 -0.11039 -0.00028 0.02845 -0.03672 150 4XX -0.03175 0.05017 0.00127 -0.03219 0.03816 151 4YY -0.00094 -0.00486 -0.00502 -0.02296 0.00355 152 4ZZ -0.00329 0.00963 -0.00522 -0.01430 0.00609 153 4XY -0.01990 0.01759 0.00221 -0.02081 -0.00112 154 4XZ 0.03258 -0.05522 0.00765 0.01408 -0.01007 155 4YZ 0.00813 -0.01187 0.00725 0.00962 0.00320 156 20 O 1S 0.00314 0.00518 -0.00039 0.00274 0.00255 157 2S -0.02609 -0.02835 -0.01975 -0.06366 -0.05468 158 2PX 0.05852 0.07617 -0.00563 -0.02933 0.01944 159 2PY -0.10215 -0.09165 0.03148 -0.13928 -0.02635 160 2PZ -0.03123 -0.05410 -0.04674 -0.04851 0.04061 161 3S -0.12102 -0.39321 0.09268 -0.00126 0.03990 162 3PX -0.10639 -0.16405 0.02348 -0.05530 -0.02391 163 3PY 0.01689 0.07619 0.03001 0.02785 -0.03754 164 3PZ 0.10291 0.11058 -0.00129 0.03117 0.03703 165 4XX -0.03148 -0.04980 0.00171 -0.03312 -0.03829 166 4YY -0.00109 0.00519 -0.00503 -0.02288 -0.00369 167 4ZZ -0.00322 -0.00942 -0.00509 -0.01455 -0.00617 168 4XY 0.01984 0.01714 -0.00225 0.02112 -0.00114 169 4XZ 0.03185 0.05516 0.00725 0.01506 0.01019 170 4YZ -0.00811 -0.01171 -0.00717 -0.00993 0.00316 171 21 C 1S 0.00670 -0.00003 -0.00312 0.00173 -0.00003 172 2S -0.03525 0.00009 0.00717 -0.03271 -0.00026 173 2PX 0.08788 0.00056 0.02116 -0.02738 0.00009 174 2PY 0.00132 0.04611 -0.00010 0.00115 0.00716 175 2PZ -0.04558 0.00102 -0.08463 -0.12310 -0.00049 176 3S -0.01881 0.00009 0.07424 0.07530 0.00094 177 3PX -0.46604 -0.00094 -0.14475 -0.05351 -0.00091 178 3PY -0.00314 -0.09965 0.00017 -0.00275 -0.07583 179 3PZ 0.29358 -0.00372 0.34198 0.51998 0.00212 180 4XX 0.00063 -0.00004 0.01687 0.00842 0.00006 181 4YY -0.00667 -0.00018 -0.01210 0.01986 -0.00007 182 4ZZ 0.00257 0.00019 -0.01033 -0.02787 -0.00008 183 4XY -0.00014 0.02053 -0.00006 0.00018 0.01141 184 4XZ -0.03120 0.00018 -0.01175 -0.03020 -0.00010 185 4YZ 0.00012 -0.00656 -0.00001 0.00004 0.00526 186 22 H 1S -0.08732 -0.00008 0.00097 -0.02259 -0.00019 187 2S -0.20520 -0.00090 -0.09480 -0.00123 -0.00061 188 23 H 1S -0.08740 0.00116 -0.10553 -0.19897 -0.00080 189 2S -0.05870 0.00145 -0.14893 -0.19902 -0.00100 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71284 0.72293 0.74095 1 1 C 1S -0.01595 0.00040 0.01539 0.00173 0.01016 2 2S 0.13175 0.19978 -0.31518 -0.15373 0.06345 3 2PX 0.20747 0.02779 -0.21993 -0.28052 0.33282 4 2PY 0.09167 0.22015 -0.38871 0.10266 -0.03187 5 2PZ -0.16075 -0.02577 0.03703 -0.57873 0.07533 6 3S -0.52108 -0.56614 0.75353 0.51637 0.17946 7 3PX 0.05376 -0.06070 0.79395 0.18779 -0.62544 8 3PY -0.31284 -0.59663 0.95318 -0.29009 0.04569 9 3PZ 0.20064 0.12221 -0.14046 1.37142 -0.12545 10 4XX 0.03424 0.01575 -0.00043 0.00463 -0.00746 11 4YY -0.02156 0.01498 0.02486 -0.04492 -0.00844 12 4ZZ -0.01794 -0.02118 -0.01897 0.02179 0.03452 13 4XY -0.01046 0.01119 -0.00623 -0.01325 0.01550 14 4XZ 0.03367 -0.00776 -0.01106 -0.00161 -0.00880 15 4YZ 0.02063 -0.02492 -0.01122 0.01095 0.00461 16 2 H 1S -0.14261 0.13509 0.05765 -0.09203 -0.02618 17 2S 0.00318 -0.13483 0.31172 -0.05845 0.02147 18 3 C 1S 0.04391 0.04066 -0.02178 -0.00069 0.02264 19 2S -0.18396 0.01587 -0.19132 0.03964 -0.11401 20 2PX 0.42784 -0.01932 0.02962 0.14997 -0.36895 21 2PY -0.24092 -0.19989 -0.18972 0.00884 -0.10090 22 2PZ 0.16945 0.06692 0.12695 0.11394 -0.23555 23 3S 0.67986 0.05679 -0.49849 0.33143 0.36486 24 3PX -0.68442 0.01986 0.18053 -0.43885 0.95636 25 3PY 0.61348 -0.00943 0.28711 -0.07998 0.15625 26 3PZ -0.27597 -0.18058 -0.44556 -0.18062 0.41047 27 4XX -0.01811 0.00019 -0.01705 -0.00210 -0.00077 28 4YY 0.05577 0.03381 -0.03674 0.00929 0.01797 29 4ZZ 0.00469 0.01637 -0.01255 0.00320 -0.01684 30 4XY 0.00616 -0.00960 -0.05110 0.03836 0.00909 31 4XZ -0.04062 -0.04481 0.05949 -0.00279 -0.01312 32 4YZ -0.01271 0.00697 0.03754 -0.01355 -0.00679 33 4 H 1S 0.15116 0.17439 -0.03563 -0.04068 0.03808 34 2S 0.04231 -0.24945 -0.17719 0.10268 -0.11792 35 5 C 1S -0.04386 -0.04069 -0.02181 -0.00063 -0.02234 36 2S 0.18420 -0.01616 -0.19122 0.03946 0.11248 37 2PX -0.42801 0.01930 0.02947 0.14729 0.36963 38 2PY -0.24140 -0.19968 0.19038 -0.00934 -0.10305 39 2PZ -0.17011 -0.06735 0.12756 0.11202 0.23351 40 3S -0.68060 -0.05505 -0.49676 0.32996 -0.35594 41 3PX 0.68513 -0.02015 0.17892 -0.43178 -0.95893 42 3PY 0.61447 -0.00957 -0.28698 0.08012 0.16162 43 3PZ 0.27712 0.18118 -0.44449 -0.17892 -0.40757 44 4XX 0.01810 -0.00022 -0.01730 -0.00198 0.00087 45 4YY -0.05562 -0.03390 -0.03645 0.00914 -0.01773 46 4ZZ -0.00476 -0.01633 -0.01257 0.00318 0.01668 47 4XY 0.00630 -0.00963 0.05104 -0.03840 0.00892 48 4XZ 0.04064 0.04480 0.05965 -0.00288 0.01276 49 4YZ -0.01272 0.00705 -0.03756 0.01360 -0.00646 50 6 H 1S -0.15096 -0.17458 -0.03544 -0.04067 -0.03634 51 2S -0.04265 0.24961 -0.17615 0.10160 0.11757 52 7 C 1S 0.01597 -0.00039 0.01539 0.00181 -0.01016 53 2S -0.13226 -0.19967 -0.31497 -0.15321 -0.06699 54 2PX -0.20654 -0.02804 -0.22112 -0.27833 -0.32885 55 2PY 0.09189 0.21985 0.38877 -0.10153 -0.03014 56 2PZ 0.16131 0.02627 0.03818 -0.57853 -0.08171 57 3S 0.52309 0.56504 0.74995 0.51935 -0.17280 58 3PX -0.05505 0.06065 0.79460 0.18577 0.61680 59 3PY -0.31453 -0.59502 -0.95139 0.28590 0.04326 60 3PZ -0.20235 -0.12264 -0.14230 1.37123 0.14183 61 4XX -0.03424 -0.01573 -0.00044 0.00461 0.00732 62 4YY 0.02155 -0.01494 0.02477 -0.04479 0.00810 63 4ZZ 0.01796 0.02115 -0.01897 0.02198 -0.03445 64 4XY -0.01042 0.01115 0.00604 0.01333 0.01606 65 4XZ -0.03372 0.00785 -0.01100 -0.00165 0.00923 66 4YZ 0.02063 -0.02495 0.01132 -0.01111 0.00444 67 8 H 1S 0.14284 -0.13525 0.05766 -0.09188 0.02488 68 2S -0.00270 0.13430 0.31147 -0.05791 -0.02035 69 9 C 1S 0.01275 -0.02764 0.00405 -0.02145 0.00392 70 2S -0.06138 0.31573 -0.10750 0.11673 -0.02074 71 2PX 0.07081 -0.01406 0.09365 0.04708 0.06427 72 2PY 0.29708 -0.45322 -0.08276 0.29210 -0.06542 73 2PZ -0.11995 -0.24334 -0.14106 -0.11029 0.11900 74 3S 0.24937 -1.09504 0.30128 -0.91111 -0.11035 75 3PX -0.11522 -0.11572 -0.30379 -0.18933 -0.20533 76 3PY -0.62650 1.47013 0.38827 -0.66743 0.24457 77 3PZ 0.33553 0.97954 0.40900 0.37802 -0.36843 78 4XX -0.01802 0.00982 -0.02290 0.03434 0.00578 79 4YY 0.02992 -0.03746 0.01011 -0.01431 -0.00694 80 4ZZ -0.00502 0.02598 0.00649 -0.04538 0.00162 81 4XY -0.00150 0.00093 0.01798 -0.02750 0.00003 82 4XZ -0.00001 -0.01831 0.01206 0.00580 0.00865 83 4YZ -0.00852 0.00188 0.06657 -0.00359 0.00276 84 10 H 1S 0.02141 -0.19727 0.07231 -0.18896 -0.00313 85 2S 0.05667 -0.36624 -0.28871 0.09076 0.08977 86 11 H 1S 0.02432 -0.14075 -0.07568 0.01256 0.05448 87 2S 0.07952 -0.35720 -0.19566 -0.08572 -0.07408 88 12 C 1S -0.01274 0.02763 0.00405 -0.02147 -0.00421 89 2S 0.06139 -0.31586 -0.10735 0.11661 0.02061 90 2PX -0.07104 0.01420 0.09500 0.04715 -0.06436 91 2PY 0.29698 -0.45398 0.08291 -0.29117 -0.06810 92 2PZ 0.11988 0.24312 -0.14139 -0.10942 -0.12240 93 3S -0.24915 1.09482 0.30042 -0.91076 0.10167 94 3PX 0.11623 0.11566 -0.30769 -0.18946 0.20465 95 3PY -0.62661 1.47274 -0.39017 0.66604 0.24908 96 3PZ -0.33527 -0.97791 0.40988 0.37469 0.37979 97 4XX 0.01799 -0.00982 -0.02299 0.03436 -0.00562 98 4YY -0.02986 0.03737 0.01027 -0.01435 0.00680 99 4ZZ 0.00502 -0.02594 0.00641 -0.04539 -0.00219 100 4XY -0.00139 0.00090 -0.01803 0.02755 0.00030 101 4XZ 0.00006 0.01836 0.01222 0.00582 -0.00845 102 4YZ -0.00871 0.00214 -0.06662 0.00371 0.00203 103 13 H 1S -0.02421 0.14090 -0.07642 0.01332 -0.05569 104 2S -0.07955 0.35714 -0.19714 -0.08517 0.07210 105 14 H 1S -0.02151 0.19705 0.07271 -0.18951 0.00140 106 2S -0.05739 0.36682 -0.28905 0.09198 -0.09330 107 15 C 1S -0.00156 0.01344 0.00639 -0.01665 0.00626 108 2S 0.09465 -0.02740 -0.16178 -0.11932 0.33714 109 2PX -0.29384 -0.08898 -0.01262 0.09470 -0.32077 110 2PY 0.09446 -0.20708 0.16797 0.02535 0.38138 111 2PZ -0.10997 0.05355 -0.22095 0.06994 0.00932 112 3S -0.51674 0.34691 0.50018 0.50555 -1.86992 113 3PX 0.68363 0.25152 -0.15916 -0.02974 1.00729 114 3PY -0.32244 0.69212 -0.37581 -0.19823 -1.04115 115 3PZ 0.05471 0.03239 0.46055 0.00602 -0.60820 116 4XX 0.01618 -0.03510 0.03092 -0.02277 0.01329 117 4YY -0.01972 0.03969 0.00468 -0.01103 -0.05514 118 4ZZ -0.00311 0.00449 -0.03591 0.00302 0.02721 119 4XY -0.00438 0.00341 0.03106 0.02841 -0.01778 120 4XZ 0.00651 0.00721 -0.00862 0.00054 0.00397 121 4YZ 0.00051 0.00725 0.00744 -0.00894 0.00437 122 16 H 1S -0.02561 0.17386 0.04841 -0.06216 0.07765 123 2S -0.06720 0.13608 0.01520 -0.06356 -0.39483 124 17 C 1S 0.00162 -0.01347 0.00633 -0.01659 -0.00628 125 2S -0.09394 0.02682 -0.16133 -0.11897 -0.33808 126 2PX 0.29316 0.08915 -0.01210 0.09336 0.31782 127 2PY 0.09445 -0.20671 -0.16834 -0.02608 0.38082 128 2PZ 0.10979 -0.05408 -0.22013 0.06883 -0.00982 129 3S 0.51408 -0.34669 0.49657 0.50403 1.87019 130 3PX -0.68327 -0.25226 -0.15950 -0.02663 -1.00353 131 3PY -0.32342 0.69158 0.38021 0.19731 -1.04119 132 3PZ -0.05539 -0.03084 0.45842 0.00827 0.60635 133 4XX -0.01611 0.03514 0.03098 -0.02271 -0.01318 134 4YY 0.01973 -0.03980 0.00450 -0.01107 0.05507 135 4ZZ 0.00313 -0.00453 -0.03595 0.00311 -0.02749 136 4XY -0.00423 0.00345 -0.03105 -0.02831 -0.01743 137 4XZ -0.00649 -0.00722 -0.00866 0.00055 -0.00355 138 4YZ 0.00045 0.00719 -0.00736 0.00890 0.00512 139 18 H 1S 0.02646 -0.17415 0.04801 -0.06128 -0.07927 140 2S 0.06697 -0.13555 0.01311 -0.06253 0.39601 141 19 O 1S -0.00053 -0.00500 0.00674 0.00641 -0.00808 142 2S -0.03343 0.00134 -0.02272 0.00862 -0.03992 143 2PX -0.05321 -0.09548 0.18937 0.02554 -0.09326 144 2PY -0.02629 -0.10249 0.10288 0.06974 -0.06993 145 2PZ -0.00887 -0.10340 0.08236 0.01100 -0.05243 146 3S 0.25058 0.25306 -0.28651 -0.18845 0.61549 147 3PX 0.04295 0.08556 -0.22123 -0.10770 0.24860 148 3PY 0.05066 0.05893 -0.07835 -0.06097 0.16577 149 3PZ -0.06211 0.02954 0.03327 0.01431 -0.09719 150 4XX -0.00799 0.02363 -0.04352 0.00606 -0.00319 151 4YY -0.00419 -0.01195 -0.00051 -0.00071 0.00742 152 4ZZ -0.00240 0.00405 0.00702 0.00572 -0.02203 153 4XY 0.00579 -0.00620 -0.00999 -0.00274 0.02691 154 4XZ -0.01988 -0.01615 0.02287 0.00370 -0.03074 155 4YZ -0.02327 0.00578 0.00949 0.01716 -0.04014 156 20 O 1S 0.00049 0.00502 0.00676 0.00639 0.00804 157 2S 0.03374 -0.00170 -0.02274 0.00864 0.04054 158 2PX 0.05320 0.09547 0.18958 0.02518 0.09205 159 2PY -0.02574 -0.10278 -0.10313 -0.06955 -0.07035 160 2PZ 0.00904 0.10305 0.08274 0.01036 0.05292 161 3S -0.25024 -0.25297 -0.28648 -0.18742 -0.61497 162 3PX -0.04253 -0.08572 -0.22146 -0.10711 -0.24737 163 3PY 0.05019 0.05931 0.07796 0.06083 0.16513 164 3PZ 0.06202 -0.02930 0.03336 0.01407 0.09677 165 4XX 0.00805 -0.02378 -0.04356 0.00606 0.00337 166 4YY 0.00439 0.01182 -0.00041 -0.00064 -0.00710 167 4ZZ 0.00239 -0.00410 0.00698 0.00565 0.02208 168 4XY 0.00572 -0.00624 0.00981 0.00274 0.02697 169 4XZ 0.01984 0.01619 0.02282 0.00366 0.03057 170 4YZ -0.02318 0.00587 -0.00950 -0.01704 -0.04018 171 21 C 1S 0.00001 -0.00001 -0.00782 -0.00063 0.00012 172 2S 0.00015 -0.00039 -0.02796 0.03197 0.00096 173 2PX 0.00018 -0.00009 0.14193 -0.04273 0.00044 174 2PY 0.00691 -0.11709 -0.00032 0.00006 -0.00315 175 2PZ 0.00028 -0.00034 0.19915 -0.00978 0.00030 176 3S -0.00045 0.00080 0.07493 -0.03183 -0.00220 177 3PX -0.00030 -0.00001 -0.55956 0.11938 -0.00015 178 3PY -0.02808 0.23149 0.00033 0.00011 -0.09587 179 3PZ -0.00115 0.00088 -0.30167 0.09418 -0.00214 180 4XX -0.00001 -0.00002 -0.01676 0.00897 0.00008 181 4YY -0.00003 0.00000 0.00978 0.02203 0.00022 182 4ZZ 0.00006 -0.00005 0.00297 -0.01697 0.00005 183 4XY 0.01310 0.01828 0.00005 -0.00003 0.02574 184 4XZ 0.00006 -0.00002 -0.03376 -0.01116 0.00010 185 4YZ -0.00173 -0.01541 0.00000 0.00004 -0.01046 186 22 H 1S 0.00016 -0.00010 -0.21845 -0.02983 0.00084 187 2S -0.00022 -0.00009 -0.28141 0.08692 -0.00010 188 23 H 1S 0.00045 -0.00019 -0.08946 -0.09412 0.00079 189 2S 0.00056 -0.00042 0.25194 0.00821 0.00167 86 87 88 89 90 V V V V V Eigenvalues -- 0.75191 0.77535 0.79576 0.79877 0.81067 1 1 C 1S -0.00370 -0.00521 -0.00426 -0.01251 -0.00368 2 2S -0.17686 -0.08614 0.11538 0.14924 -0.00326 3 2PX 0.41491 -0.21894 -0.10779 0.33307 -0.05406 4 2PY -0.22921 -0.15282 0.07301 -0.01417 0.06692 5 2PZ -0.27926 0.08662 -0.02586 0.12280 -0.06021 6 3S 0.19983 0.49454 -0.00245 0.06602 0.16064 7 3PX -0.68773 0.69032 0.20384 -0.06469 0.08276 8 3PY 0.47462 0.59510 0.02031 0.41708 -0.08742 9 3PZ 0.77628 -0.48879 0.11215 -0.62565 0.13370 10 4XX -0.02375 -0.01253 -0.01300 0.01373 0.00267 11 4YY -0.00039 0.00937 0.02426 0.03483 0.00564 12 4ZZ -0.00110 0.00545 0.00021 -0.03131 -0.01212 13 4XY -0.03339 0.02527 0.01076 -0.02753 -0.00241 14 4XZ 0.03604 0.00907 -0.00042 -0.01371 -0.00642 15 4YZ 0.01607 -0.00936 -0.00108 0.00126 -0.00256 16 2 H 1S -0.07027 0.02068 0.08858 -0.06177 0.03362 17 2S 0.19806 0.21997 -0.04065 0.12958 -0.09559 18 3 C 1S 0.02601 -0.00431 0.01009 0.00290 0.00892 19 2S -0.18216 0.00494 0.01998 0.10299 -0.01134 20 2PX 0.00124 -0.01288 -0.15207 -0.01082 -0.07043 21 2PY 0.17884 -0.09374 0.06988 0.41365 0.05538 22 2PZ -0.20759 0.05858 -0.01422 -0.05145 0.00647 23 3S 0.62693 -0.79442 0.01055 -1.19816 0.04414 24 3PX -0.02288 0.23261 0.19660 0.74172 0.09285 25 3PY -0.45270 0.33684 -0.07852 -0.93593 -0.05648 26 3PZ 0.28255 -0.28193 -0.05760 -0.46382 -0.08892 27 4XX 0.01617 -0.00722 0.01204 0.02301 -0.00280 28 4YY 0.00593 -0.01573 0.00028 -0.05600 -0.00178 29 4ZZ -0.01684 0.00738 -0.00291 0.02458 0.01075 30 4XY -0.00137 -0.03612 -0.02548 0.00639 -0.01297 31 4XZ -0.03191 0.01430 -0.02362 -0.01586 -0.01707 32 4YZ -0.01577 0.05234 0.02068 -0.01715 0.01235 33 4 H 1S 0.18784 0.11678 0.15197 -0.07230 0.09807 34 2S -0.12522 -0.15346 -0.24075 -0.50211 -0.18146 35 5 C 1S 0.02629 -0.00438 0.01009 -0.00275 0.00896 36 2S -0.18436 0.00567 0.02272 -0.10096 -0.01175 37 2PX -0.00208 -0.01342 -0.15232 0.00666 -0.07127 38 2PY -0.17605 0.09371 -0.07863 0.41230 -0.05395 39 2PZ -0.21049 0.05865 -0.01492 0.05242 0.00612 40 3S 0.63838 -0.79732 -0.01881 1.19600 0.04531 41 3PX -0.01750 0.23482 0.21323 -0.73672 0.09549 42 3PY 0.44872 -0.33662 0.09911 -0.93634 0.05335 43 3PZ 0.29186 -0.28254 -0.07004 0.45948 -0.08731 44 4XX 0.01609 -0.00737 0.01248 -0.02292 -0.00292 45 4YY 0.00624 -0.01553 -0.00082 0.05617 -0.00154 46 4ZZ -0.01703 0.00731 -0.00249 -0.02448 0.01061 47 4XY 0.00133 0.03615 0.02543 0.00676 0.01305 48 4XZ -0.03213 0.01449 -0.02375 0.01540 -0.01698 49 4YZ 0.01577 -0.05238 -0.02035 -0.01736 -0.01246 50 6 H 1S 0.18859 0.11650 0.15026 0.07499 0.09823 51 2S -0.12472 -0.15324 -0.25190 0.49729 -0.18096 52 7 C 1S -0.00360 -0.00522 -0.00456 0.01237 -0.00368 53 2S -0.17548 -0.08595 0.11807 -0.14619 -0.00292 54 2PX 0.41775 -0.21944 -0.10156 -0.33751 -0.05408 55 2PY 0.22994 0.15294 -0.07201 -0.01732 -0.06667 56 2PZ -0.27786 0.08790 -0.02346 -0.12398 -0.05914 57 3S 0.19432 0.49515 0.00369 -0.06405 0.15892 58 3PX -0.69677 0.69174 0.20489 0.07111 0.08187 59 3PY -0.47261 -0.59558 -0.03303 0.41773 0.08668 60 3PZ 0.77471 -0.49286 0.10041 0.63096 0.12936 61 4XX -0.02398 -0.01233 -0.01267 -0.01379 0.00264 62 4YY -0.00052 0.00933 0.02495 -0.03455 0.00559 63 4ZZ -0.00067 0.00540 -0.00043 0.03138 -0.01202 64 4XY 0.03290 -0.02534 -0.01026 -0.02794 0.00222 65 4XZ 0.03617 0.00896 -0.00084 0.01363 -0.00639 66 4YZ -0.01605 0.00942 0.00115 0.00118 0.00269 67 8 H 1S -0.07094 0.02070 0.08737 0.06348 0.03382 68 2S 0.19705 0.22079 -0.03627 -0.13126 -0.09515 69 9 C 1S -0.01435 0.00148 0.01027 -0.00325 0.00158 70 2S -0.07851 0.05361 0.08751 0.05614 0.13052 71 2PX -0.00280 0.01207 0.00143 -0.02122 -0.23611 72 2PY 0.08203 -0.14066 -0.03288 0.15101 0.02846 73 2PZ -0.19770 0.00075 0.01176 -0.03996 -0.00109 74 3S -0.21400 0.31011 -0.25082 0.05735 -0.33452 75 3PX -0.06077 -0.22091 -0.13050 0.26750 0.25967 76 3PY -0.03550 0.42895 -0.06897 -0.91117 -0.14056 77 3PZ 0.71061 -0.01417 -0.13337 0.15867 -0.05324 78 4XX -0.00970 -0.01240 0.01451 0.03280 -0.00051 79 4YY -0.00116 0.03899 -0.00662 0.01816 0.00517 80 4ZZ -0.02403 -0.00841 0.01174 -0.04466 0.01801 81 4XY 0.00157 0.01430 0.05799 -0.01046 0.06477 82 4XZ 0.01064 -0.03280 0.02236 -0.05807 0.03917 83 4YZ 0.06524 0.02031 0.01706 -0.00406 0.01547 84 10 H 1S -0.05011 -0.00812 0.28488 -0.21268 0.26141 85 2S -0.31933 0.05943 -0.05984 0.23211 -0.26269 86 11 H 1S -0.13391 0.00773 -0.03197 0.24547 -0.17416 87 2S -0.19693 -0.24871 0.11532 0.14718 0.40984 88 12 C 1S -0.01427 0.00142 0.01015 0.00349 0.00156 89 2S -0.07873 0.05381 0.08861 -0.05309 0.13025 90 2PX -0.00023 0.01241 0.00025 0.02210 -0.23485 91 2PY -0.08116 0.14016 0.02990 0.15131 -0.02942 92 2PZ -0.19736 0.00092 0.01112 0.04130 -0.00195 93 3S -0.21737 0.31054 -0.24717 -0.06691 -0.33365 94 3PX -0.06948 -0.22187 -0.12211 -0.27167 0.25458 95 3PY 0.02938 -0.42611 0.08808 -0.90694 0.14431 96 3PZ 0.70939 -0.01539 -0.13270 -0.16513 -0.05031 97 4XX -0.00974 -0.01232 0.01516 -0.03235 -0.00064 98 4YY -0.00108 0.03909 -0.00625 -0.01828 0.00522 99 4ZZ -0.02410 -0.00862 0.01084 0.04485 0.01804 100 4XY -0.00158 -0.01425 -0.05778 -0.01164 -0.06483 101 4XZ 0.01113 -0.03288 0.02100 0.05829 0.03926 102 4YZ -0.06531 -0.02028 -0.01702 -0.00422 -0.01556 103 13 H 1S -0.13401 0.00789 -0.02709 -0.24499 -0.17477 104 2S -0.20023 -0.24884 0.11981 -0.14518 0.40793 105 14 H 1S -0.04937 -0.00830 0.28046 0.21831 0.26174 106 2S -0.31893 0.06066 -0.05504 -0.23011 -0.26194 107 15 C 1S 0.00558 -0.01480 0.00115 0.00868 -0.00522 108 2S -0.00931 0.01771 0.27546 -0.08187 0.14348 109 2PX -0.27911 0.13298 -0.14436 -0.02191 -0.03753 110 2PY 0.05379 0.10344 0.08917 -0.32464 -0.01263 111 2PZ -0.11597 0.16928 0.21441 -0.30472 0.05049 112 3S -0.19490 0.44130 -0.12789 0.86601 -0.17977 113 3PX 0.32332 -0.19631 0.33199 -0.36412 0.11929 114 3PY -0.04310 -0.51703 -0.29330 1.43957 0.02940 115 3PZ 0.00310 -0.30100 -0.39940 0.97460 -0.01196 116 4XX 0.00305 -0.00248 -0.01588 -0.01545 0.01449 117 4YY 0.00861 0.02444 0.04050 0.05854 0.01669 118 4ZZ -0.02615 -0.03917 -0.00113 -0.00826 -0.02619 119 4XY -0.01236 0.03734 0.04751 0.00467 0.00162 120 4XZ 0.03424 0.04490 -0.02660 0.00981 -0.01021 121 4YZ -0.04433 -0.01520 -0.05733 -0.00442 -0.01654 122 16 H 1S -0.17365 -0.27527 -0.17661 -0.01278 -0.05793 123 2S 0.21021 -0.17942 -0.07835 0.86255 0.13333 124 17 C 1S 0.00560 -0.01485 0.00131 -0.00878 -0.00522 125 2S -0.00388 0.01749 0.27282 0.08701 0.14374 126 2PX -0.28271 0.13365 -0.14413 0.02084 -0.03721 127 2PY -0.06029 -0.10195 -0.08186 -0.32641 0.01287 128 2PZ -0.11457 0.16757 0.20696 0.31022 0.05130 129 3S -0.22559 0.44897 -0.10475 -0.86618 -0.18044 130 3PX 0.33709 -0.20210 0.32151 0.36930 0.11920 131 3PY 0.06388 0.50928 0.26026 1.44673 -0.02956 132 3PZ -0.01023 -0.29281 -0.37410 -0.98174 -0.01490 133 4XX 0.00334 -0.00234 -0.01616 0.01493 0.01455 134 4YY 0.00740 0.02477 0.04168 -0.05783 0.01668 135 4ZZ -0.02558 -0.03930 -0.00122 0.00846 -0.02625 136 4XY 0.01254 -0.03743 -0.04755 0.00367 -0.00155 137 4XZ 0.03420 0.04471 -0.02654 -0.01029 -0.01019 138 4YZ 0.04434 0.01539 0.05753 -0.00346 0.01669 139 18 H 1S -0.17291 -0.27574 -0.17702 0.00919 -0.05845 140 2S 0.20126 -0.17375 -0.05733 -0.86480 0.13274 141 19 O 1S -0.00223 0.00474 0.01092 -0.00246 0.00367 142 2S 0.03378 0.20346 -0.12892 -0.00934 -0.03460 143 2PX -0.11573 -0.16479 0.11548 -0.09337 -0.05648 144 2PY 0.05515 0.07729 0.16298 -0.01431 0.03942 145 2PZ 0.04641 0.10390 -0.05799 -0.13565 -0.09439 146 3S 0.08248 -0.47598 0.21742 -0.12904 0.07254 147 3PX 0.13902 -0.04329 -0.13135 0.04478 0.14480 148 3PY -0.01174 -0.00124 -0.14783 -0.08750 -0.04997 149 3PZ -0.08560 -0.10598 0.00464 0.07987 0.17268 150 4XX 0.02045 0.04565 0.02132 0.00008 -0.03071 151 4YY -0.00074 0.05625 -0.09083 -0.03377 -0.02241 152 4ZZ 0.01150 0.08578 -0.03391 0.01129 0.03287 153 4XY -0.01746 -0.00906 -0.03596 -0.03071 0.03035 154 4XZ -0.02272 -0.01183 -0.05280 0.01277 -0.01906 155 4YZ -0.00337 0.03765 0.00760 0.00415 0.03288 156 20 O 1S -0.00233 0.00479 0.01089 0.00269 0.00366 157 2S 0.03285 0.20388 -0.12866 0.00732 -0.03416 158 2PX -0.11675 -0.16427 0.11403 0.09545 -0.05605 159 2PY -0.05461 -0.07762 -0.16263 -0.01730 -0.03903 160 2PZ 0.04594 0.10392 -0.06089 0.13431 -0.09391 161 3S 0.09215 -0.47983 0.21185 0.13225 0.07251 162 3PX 0.14251 -0.04493 -0.13132 -0.04768 0.14500 163 3PY 0.00946 0.00256 0.15007 -0.08467 0.04938 164 3PZ -0.08682 -0.10568 0.00635 -0.07975 0.17227 165 4XX 0.02028 0.04566 0.02142 0.00068 -0.03055 166 4YY -0.00062 0.05642 -0.09141 0.03209 -0.02222 167 4ZZ 0.01102 0.08590 -0.03357 -0.01186 0.03290 168 4XY 0.01704 0.00923 0.03680 -0.02993 -0.03038 169 4XZ -0.02309 -0.01173 -0.05234 -0.01387 -0.01923 170 4YZ 0.00390 -0.03781 -0.00793 0.00408 -0.03301 171 21 C 1S 0.01848 0.04863 -0.04328 -0.00042 -0.00670 172 2S 0.14061 0.18587 0.30346 0.00330 0.07928 173 2PX 0.00294 -0.23789 -0.30577 -0.00399 0.52090 174 2PY 0.00003 0.00033 0.00038 -0.03514 -0.00054 175 2PZ -0.03255 -0.29834 -0.13076 -0.00210 0.54494 176 3S -0.28992 -0.54473 -0.33280 -0.00416 -0.07978 177 3PX 0.17792 1.11612 0.89987 0.01126 -0.98051 178 3PY 0.00079 -0.00066 -0.00052 0.07327 0.00132 179 3PZ -0.18596 0.59073 0.07380 0.00298 -1.15890 180 4XX -0.00498 0.09614 -0.12710 -0.00132 0.12272 181 4YY 0.04202 0.04469 0.11340 0.00112 0.02773 182 4ZZ 0.01957 -0.04299 0.01539 0.00023 -0.14228 183 4XY -0.00018 0.00002 -0.00002 -0.00190 -0.00001 184 4XZ 0.01848 0.03503 0.02833 0.00030 0.01315 185 4YZ 0.00008 0.00010 0.00010 -0.00206 0.00021 186 22 H 1S 0.10147 0.57507 -0.60206 -0.00618 0.47745 187 2S 0.15631 0.46880 1.17271 0.01384 -1.23693 188 23 H 1S 0.17110 0.08911 -0.07402 -0.00049 -0.57008 189 2S 0.10710 -0.21359 -0.17851 -0.00353 1.38392 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84204 0.85443 0.86451 0.88061 1 1 C 1S -0.00197 0.00718 -0.00751 -0.00076 0.00265 2 2S 0.10228 0.10689 0.08897 0.16366 0.10741 3 2PX 0.12933 0.06549 0.00945 0.08930 -0.07405 4 2PY 0.17429 -0.05066 -0.00827 0.09156 0.05255 5 2PZ 0.30228 0.03871 0.01399 0.21717 -0.02486 6 3S -1.32045 -0.35574 -0.73658 -0.80481 -0.42558 7 3PX -0.66958 0.13220 -0.15215 0.31727 -0.01718 8 3PY -0.64652 0.02452 -0.58127 -0.31309 -0.31690 9 3PZ -1.45858 -0.65380 -0.10346 -0.98859 -0.13637 10 4XX -0.02336 -0.03776 0.02424 -0.01873 -0.00817 11 4YY 0.02323 0.00511 -0.06667 0.02652 0.01586 12 4ZZ -0.02711 0.05426 0.03689 0.00016 -0.00729 13 4XY 0.02859 0.01242 -0.03624 0.01198 -0.01115 14 4XZ 0.02591 0.01193 0.00296 0.00974 -0.01907 15 4YZ -0.00485 -0.00138 0.02479 0.01357 0.01322 16 2 H 1S 0.12828 -0.00677 -0.09351 0.03857 0.08710 17 2S -0.40987 0.07277 0.03976 -0.16347 -0.20612 18 3 C 1S 0.01252 0.00742 -0.02294 -0.00881 -0.01518 19 2S -0.13019 -0.05252 0.05672 0.18437 0.32647 20 2PX -0.04692 0.08961 0.20717 0.12135 0.21624 21 2PY -0.15731 -0.05228 -0.41023 0.00747 -0.21220 22 2PZ -0.15118 -0.08482 -0.50887 -0.14790 -0.31998 23 3S 0.51825 -0.44958 1.39821 -0.44450 -0.69544 24 3PX 0.14629 -0.06215 -1.00492 -0.16368 -0.50024 25 3PY 0.33049 0.38301 1.90880 0.43938 0.43490 26 3PZ 0.87635 0.24682 1.78231 0.55398 0.65755 27 4XX -0.01220 0.01694 -0.00081 0.01960 0.00460 28 4YY 0.01564 -0.02275 0.07399 0.00886 0.02111 29 4ZZ 0.00367 -0.00325 -0.02509 0.00459 0.02003 30 4XY -0.00735 0.01089 0.02278 0.00074 0.06056 31 4XZ -0.01638 -0.01266 0.02858 -0.00397 0.02753 32 4YZ 0.01604 0.04139 -0.02372 -0.00136 -0.04469 33 4 H 1S 0.02195 0.18708 -0.33062 -0.12696 -0.31042 34 2S 0.20846 0.14530 1.68670 0.55286 1.02839 35 5 C 1S -0.01250 0.00740 0.02295 0.00874 -0.01513 36 2S 0.12939 -0.05200 -0.05654 -0.18453 0.32475 37 2PX 0.04656 0.08933 -0.20733 -0.11963 0.21659 38 2PY -0.15800 0.05248 -0.41140 0.00835 0.21240 39 2PZ 0.15138 -0.08374 0.50879 0.14560 -0.32060 40 3S -0.51799 -0.45188 -1.39752 0.44273 -0.68207 41 3PX -0.14421 -0.06053 1.00407 0.15882 -0.50914 42 3PY 0.33368 -0.38346 1.91321 0.43637 -0.43534 43 3PZ -0.87848 0.24398 -1.78070 -0.54761 0.66748 44 4XX 0.01212 0.01702 0.00075 -0.01957 0.00489 45 4YY -0.01565 -0.02267 -0.07385 -0.00904 0.02067 46 4ZZ -0.00375 -0.00338 0.02505 -0.00442 0.02033 47 4XY -0.00713 -0.01073 0.02301 0.00041 -0.06025 48 4XZ 0.01644 -0.01260 -0.02856 0.00408 0.02685 49 4YZ 0.01604 -0.04152 -0.02399 -0.00113 0.04443 50 6 H 1S -0.02203 0.18711 0.33076 0.12596 -0.30966 51 2S -0.21119 0.14429 -1.68815 -0.54650 1.03091 52 7 C 1S 0.00194 0.00723 0.00748 0.00090 0.00314 53 2S -0.10196 0.10686 -0.08941 -0.16317 0.10040 54 2PX -0.12940 0.06484 -0.01019 -0.08876 -0.07278 55 2PY 0.17684 0.05012 -0.00862 0.09049 -0.06270 56 2PZ -0.30191 0.03969 -0.01427 -0.21682 -0.02446 57 3S 1.31922 -0.35546 0.73906 0.79967 -0.41821 58 3PX 0.67282 0.13513 0.15344 -0.31700 -0.02329 59 3PY -0.65439 -0.02221 -0.58085 -0.30856 0.34552 60 3PZ 1.45851 -0.65615 0.10437 0.98504 -0.13337 61 4XX 0.02350 -0.03794 -0.02417 0.01851 -0.00927 62 4YY -0.02313 0.00526 0.06648 -0.02631 0.01743 63 4ZZ 0.02700 0.05429 -0.03687 -0.00006 -0.00837 64 4XY 0.02872 -0.01267 -0.03644 0.01211 0.01131 65 4XZ -0.02592 0.01192 -0.00304 -0.00969 -0.01865 66 4YZ -0.00494 0.00141 0.02499 0.01329 -0.01377 67 8 H 1S -0.12887 -0.00641 0.09362 -0.03742 0.09447 68 2S 0.41354 0.07163 -0.04067 0.15929 -0.23327 69 9 C 1S -0.00420 -0.02744 -0.01104 0.00271 0.00153 70 2S 0.03650 0.15812 0.09070 -0.01938 -0.21501 71 2PX 0.44347 -0.14631 -0.10359 -0.52907 -0.14352 72 2PY 0.27052 0.00819 -0.08184 0.16920 -0.08340 73 2PZ -0.19335 -0.03763 0.05209 -0.28762 -0.07843 74 3S -0.28443 0.53511 -0.55588 -0.23381 0.69242 75 3PX -1.75986 0.16299 0.19829 1.46296 0.22702 76 3PY -1.12699 0.41284 0.23453 -0.90676 0.27289 77 3PZ 1.14831 0.00046 -0.22326 1.25848 0.15854 78 4XX -0.01208 -0.05676 -0.00729 -0.00088 -0.03150 79 4YY 0.02298 0.07268 -0.00061 0.01260 -0.01342 80 4ZZ -0.01968 0.00387 -0.00277 -0.01600 0.02284 81 4XY -0.00132 0.00785 0.00341 0.01745 0.00906 82 4XZ 0.03427 -0.05683 0.02084 0.05657 -0.00067 83 4YZ 0.00532 -0.03143 0.00386 0.00886 0.02801 84 10 H 1S -0.04137 -0.35068 0.07817 0.18865 0.05106 85 2S 0.37741 0.12653 -0.04881 -1.11248 -0.41088 86 11 H 1S -0.04820 -0.26680 -0.07552 -0.13849 -0.10268 87 2S -0.75482 -0.01090 0.30019 0.96051 0.00774 88 12 C 1S 0.00425 -0.02738 0.01108 -0.00285 0.00147 89 2S -0.03676 0.15813 -0.09044 0.01908 -0.21303 90 2PX -0.44496 -0.14967 0.10383 0.52703 -0.14726 91 2PY 0.27012 -0.00871 -0.08184 0.16906 0.08242 92 2PZ 0.19337 -0.03927 -0.05176 0.28762 -0.07610 93 3S 0.28345 0.53381 0.55324 0.24022 0.68269 94 3PX 1.76297 0.17339 -0.19884 -1.45888 0.23505 95 3PY -1.12481 -0.41149 0.23558 -0.90758 -0.27284 96 3PZ -1.14770 0.00554 0.22276 -1.26094 0.15211 97 4XX 0.01210 -0.05659 0.00749 0.00049 -0.03146 98 4YY -0.02302 0.07260 0.00052 -0.01246 -0.01310 99 4ZZ 0.01971 0.00383 0.00265 0.01622 0.02252 100 4XY -0.00126 -0.00791 0.00340 0.01742 -0.00939 101 4XZ -0.03401 -0.05668 -0.02078 -0.05675 -0.00014 102 4YZ 0.00499 0.03144 0.00383 0.00876 -0.02740 103 13 H 1S 0.04814 -0.26725 0.07609 0.13635 -0.10436 104 2S 0.75612 -0.00589 -0.29969 -0.95955 0.01806 105 14 H 1S 0.04226 -0.34960 -0.07743 -0.18945 0.05253 106 2S -0.37946 0.11983 0.04930 1.11045 -0.41090 107 15 C 1S 0.00553 0.01306 -0.00613 0.01819 -0.01106 108 2S -0.01032 -0.08886 0.07031 -0.16398 0.50893 109 2PX 0.15976 -0.04949 0.02565 -0.00077 0.05763 110 2PY -0.21304 0.00230 -0.25633 0.16908 -0.25836 111 2PZ 0.22293 0.06453 -0.29134 0.28245 -0.26125 112 3S 0.49649 0.22625 0.51369 -0.15057 -1.11589 113 3PX -0.46843 0.01189 -0.27039 0.03992 -0.20969 114 3PY 0.67182 -0.03508 1.14350 -0.74835 0.63742 115 3PZ -0.70065 -0.10567 1.05240 -0.96482 0.65789 116 4XX 0.00822 0.04434 0.01352 -0.03281 0.03611 117 4YY 0.03568 -0.02121 0.04283 -0.02822 0.02250 118 4ZZ -0.02538 0.01334 -0.01397 0.03300 0.01197 119 4XY -0.00233 0.00445 0.00567 -0.00756 0.06119 120 4XZ 0.00373 -0.06528 0.00807 -0.00148 0.00488 121 4YZ -0.01163 0.03932 -0.01744 0.02249 -0.06378 122 16 H 1S -0.08125 0.10549 -0.17436 0.29693 -0.25810 123 2S -0.10021 -0.29346 1.03407 -1.01093 1.13415 124 17 C 1S -0.00558 0.01310 0.00604 -0.01812 -0.01112 125 2S 0.01097 -0.09023 -0.07051 0.16370 0.50771 126 2PX -0.16050 -0.04935 -0.02473 0.00008 0.05680 127 2PY -0.21276 -0.00356 -0.25687 0.16947 0.25799 128 2PZ -0.22419 0.06675 0.29161 -0.28219 -0.26234 129 3S -0.49636 0.22562 -0.51267 0.15159 -1.11197 130 3PX 0.46990 0.01267 0.26908 -0.03880 -0.20733 131 3PY 0.67126 0.04110 1.14594 -0.74995 -0.64035 132 3PZ 0.70405 -0.11320 -1.05109 0.96358 0.66145 133 4XX -0.00817 0.04406 -0.01366 0.03301 0.03617 134 4YY -0.03554 -0.02130 -0.04280 0.02812 0.02229 135 4ZZ 0.02520 0.01327 0.01389 -0.03291 0.01208 136 4XY -0.00269 -0.00429 0.00550 -0.00743 -0.06105 137 4XZ -0.00351 -0.06522 -0.00785 0.00097 0.00473 138 4YZ -0.01171 -0.03954 -0.01753 0.02239 0.06392 139 18 H 1S 0.08057 0.10677 0.17381 -0.29603 -0.25868 140 2S 0.10236 -0.30039 -1.03390 1.00951 1.13608 141 19 O 1S -0.00234 0.00791 0.00258 -0.00553 0.01244 142 2S 0.06300 -0.25657 0.07363 -0.04201 0.02717 143 2PX 0.06054 0.11501 0.02342 -0.03428 0.04194 144 2PY -0.03985 0.16512 -0.01488 -0.05982 0.12095 145 2PZ 0.06631 -0.17168 0.01531 -0.05758 0.02522 146 3S -0.00369 0.07148 -0.34765 0.21210 -0.26309 147 3PX 0.04215 -0.21869 -0.09147 0.12848 -0.10860 148 3PY 0.00191 -0.33441 -0.07939 0.14654 -0.35006 149 3PZ 0.01079 0.08068 -0.06621 0.11013 -0.06721 150 4XX 0.02113 -0.09698 0.02569 0.00524 0.02675 151 4YY 0.00189 -0.08507 0.00201 -0.01540 -0.02995 152 4ZZ 0.02939 -0.06045 0.03131 -0.02698 0.02940 153 4XY -0.00176 0.04613 -0.02091 0.02531 -0.00418 154 4XZ -0.01740 0.02518 -0.00446 0.02164 -0.01481 155 4YZ 0.00603 -0.01663 0.00432 -0.00006 0.01249 156 20 O 1S 0.00238 0.00787 -0.00257 0.00555 0.01244 157 2S -0.06255 -0.25696 -0.07286 0.04044 0.02663 158 2PX -0.06087 0.11464 -0.02370 0.03479 0.04278 159 2PY -0.04047 -0.16443 -0.01459 -0.06107 -0.12147 160 2PZ -0.06613 -0.17216 -0.01494 0.05656 0.02595 161 3S 0.00249 0.07330 0.34638 -0.21108 -0.26353 162 3PX -0.04174 -0.21767 0.09162 -0.12952 -0.10971 163 3PY 0.00274 0.33308 -0.07991 0.14874 0.35096 164 3PZ -0.01078 0.08181 0.06603 -0.10965 -0.06815 165 4XX -0.02113 -0.09695 -0.02543 -0.00582 0.02674 166 4YY -0.00191 -0.08528 -0.00183 0.01495 -0.03009 167 4ZZ -0.02899 -0.06055 -0.03101 0.02647 0.02899 168 4XY -0.00185 -0.04635 -0.02078 0.02504 0.00431 169 4XZ 0.01728 0.02517 0.00437 -0.02144 -0.01464 170 4YZ 0.00587 0.01655 0.00428 0.00007 -0.01256 171 21 C 1S 0.00008 -0.03051 0.00004 -0.00005 0.01445 172 2S 0.00017 -0.59680 0.00093 -0.00203 -0.09388 173 2PX 0.00126 -0.17578 -0.00015 -0.00034 0.01047 174 2PY -0.01729 0.00000 0.01736 0.05018 -0.00010 175 2PZ 0.00081 -0.18824 0.00009 -0.00077 -0.07998 176 3S -0.00010 1.37898 -0.00215 0.00480 0.35952 177 3PX -0.00203 0.66885 0.00047 0.00167 0.14500 178 3PY 0.02806 -0.00008 -0.07677 -0.08527 0.00091 179 3PZ -0.00252 0.38177 0.00026 0.00115 -0.06890 180 4XX 0.00027 0.03383 0.00001 0.00006 0.00603 181 4YY 0.00015 -0.03078 0.00008 -0.00011 0.02718 182 4ZZ -0.00024 -0.08749 0.00004 -0.00017 -0.00005 183 4XY -0.00196 -0.00002 0.00514 0.02283 -0.00014 184 4XZ 0.00010 -0.00031 0.00000 0.00003 0.04129 185 4YZ -0.01321 0.00011 0.00650 -0.01568 -0.00014 186 22 H 1S 0.00145 0.03503 0.00015 0.00026 0.07697 187 2S -0.00283 -0.04142 0.00084 -0.00044 -0.07056 188 23 H 1S -0.00037 -0.26636 -0.00005 -0.00002 0.15196 189 2S 0.00261 -0.39482 0.00025 -0.00200 -0.15717 96 97 98 99 100 V V V V V Eigenvalues -- 0.88446 0.88520 0.88709 0.89806 0.91381 1 1 C 1S 0.00321 -0.02127 -0.02359 0.01636 0.00618 2 2S -0.19587 0.36167 0.21128 -0.23003 -0.11124 3 2PX 0.06377 -0.12346 0.11781 0.05349 -0.02068 4 2PY 0.24611 -0.60467 -0.14385 0.23466 0.26404 5 2PZ -0.05273 0.11651 -0.21336 0.06482 -0.02639 6 3S -0.07030 0.00775 -1.22347 0.36718 0.31519 7 3PX -0.24204 0.86781 -0.94696 0.23287 -0.03400 8 3PY -0.82785 1.82129 0.14085 -0.78763 -0.44801 9 3PZ 0.12595 -0.92863 1.13507 -0.41713 0.33354 10 4XX -0.02422 0.06319 0.01724 -0.05974 -0.03332 11 4YY 0.01342 -0.07630 -0.04780 0.01918 0.04419 12 4ZZ -0.03269 0.05842 0.02190 0.01083 -0.02954 13 4XY -0.01055 0.03059 -0.04825 0.01345 -0.00589 14 4XZ 0.02468 -0.02637 0.00800 0.03227 0.00721 15 4YZ 0.03640 -0.05225 0.02165 -0.00058 0.01775 16 2 H 1S 0.15375 -0.39215 -0.18985 0.22945 0.27840 17 2S -0.67450 1.57010 0.50711 -0.76898 -0.58726 18 3 C 1S -0.01239 -0.00182 -0.00688 -0.00837 -0.00500 19 2S -0.10654 0.09264 0.11950 0.22231 -0.10160 20 2PX 0.23424 -0.17356 0.33191 0.08875 -0.06189 21 2PY -0.09791 -0.11385 0.16743 -0.19136 0.06291 22 2PZ -0.27182 0.18878 -0.27563 -0.25418 -0.00525 23 3S 0.17724 -1.04741 -0.04522 -0.90206 0.45944 24 3PX -0.67674 1.26486 -1.37716 -0.30665 -0.05083 25 3PY 0.23149 0.63282 -1.08846 0.73844 -0.14359 26 3PZ 0.72385 -1.19618 1.13024 0.66987 0.09026 27 4XX 0.00066 -0.02093 0.02336 0.04766 0.01920 28 4YY -0.02702 0.01955 -0.00998 -0.00910 -0.01476 29 4ZZ 0.02396 -0.01950 0.01876 -0.00784 -0.02185 30 4XY 0.03437 0.00960 0.02979 0.00222 -0.02176 31 4XZ 0.02540 0.03989 -0.00133 0.00094 -0.00505 32 4YZ -0.03847 -0.00581 -0.02841 0.00364 -0.01493 33 4 H 1S -0.17232 0.01232 -0.15545 0.01126 0.02035 34 2S 0.75820 -0.43574 0.72782 0.78723 -0.07230 35 5 C 1S -0.01243 0.00049 0.00718 -0.00843 -0.00498 36 2S -0.09497 -0.11204 -0.11872 0.22297 -0.10260 37 2PX 0.20513 0.19779 -0.33687 0.09068 -0.06215 38 2PY 0.11443 -0.10408 0.16421 0.19074 -0.06370 39 2PZ -0.24148 -0.21571 0.28155 -0.25566 -0.00500 40 3S 0.03994 1.07473 0.04562 -0.89952 0.46090 41 3PX -0.48909 -1.33001 1.39027 -0.31728 -0.05044 42 3PY -0.32617 0.60434 -1.07983 -0.73289 0.14800 43 3PZ 0.54835 1.26358 -1.14422 0.67717 0.09003 44 4XX -0.00217 0.02049 -0.02330 0.04785 0.01916 45 4YY -0.02439 -0.02311 0.01049 -0.00922 -0.01489 46 4ZZ 0.02108 0.02203 -0.01939 -0.00768 -0.02186 47 4XY -0.03487 0.00633 0.03068 -0.00221 0.02180 48 4XZ 0.03014 -0.03665 0.00075 0.00084 -0.00508 49 4YZ 0.03840 -0.00177 -0.02920 -0.00356 0.01493 50 6 H 1S -0.16719 -0.02936 0.16033 0.01032 0.02083 51 2S 0.68583 0.50754 -0.74376 0.79239 -0.07482 52 7 C 1S 0.00089 0.02137 0.02361 0.01640 0.00615 53 2S -0.15183 -0.38389 -0.20965 -0.23107 -0.11140 54 2PX 0.04618 0.13133 -0.11726 0.05398 -0.01934 55 2PY -0.17039 -0.62811 -0.14047 -0.23706 -0.26355 56 2PZ -0.03418 -0.12305 0.21412 0.06276 -0.02696 57 3S -0.04751 -0.01042 1.22659 0.36511 0.31437 58 3PX -0.11547 -0.89116 0.94986 0.22696 -0.03749 59 3PY 0.59308 1.89700 0.13202 0.79609 0.44618 60 3PZ -0.00876 0.94275 -1.13521 -0.40524 0.33653 61 4XX -0.01656 -0.06549 -0.01668 -0.05987 -0.03343 62 4YY 0.00470 0.07748 0.04724 0.01943 0.04421 63 4ZZ -0.02536 -0.06221 -0.02126 0.01057 -0.02956 64 4XY 0.00567 0.03132 -0.04854 -0.01325 0.00560 65 4XZ 0.02109 0.02949 -0.00826 0.03225 0.00745 66 4YZ -0.02911 -0.05593 0.02247 0.00031 -0.01759 67 8 H 1S 0.10637 0.40637 0.18672 0.23064 0.27815 68 2S -0.47968 -1.63474 -0.49701 -0.77462 -0.58654 69 9 C 1S -0.00452 0.00077 0.00614 -0.00795 0.01275 70 2S -0.24628 -0.12467 -0.07118 0.11575 0.04820 71 2PX -0.16004 0.00684 0.31511 0.45760 0.26122 72 2PY -0.05888 0.03900 -0.17598 -0.02565 -0.05490 73 2PZ -0.19496 -0.25289 0.06830 0.10608 -0.08715 74 3S 0.62815 0.55829 0.29749 0.28268 -0.28291 75 3PX 0.11777 -0.04744 -0.62687 -0.86009 -0.44317 76 3PY 0.14103 -0.60337 0.90984 0.15771 -0.14874 77 3PZ 0.17762 0.90733 -0.51489 -0.34647 0.06821 78 4XX -0.02666 -0.02035 0.02360 0.00398 0.02421 79 4YY -0.04010 -0.00931 -0.01643 0.03689 -0.02473 80 4ZZ 0.01820 0.02214 -0.00704 -0.01705 0.01572 81 4XY 0.07013 -0.00697 -0.01471 -0.01021 -0.01557 82 4XZ 0.01388 -0.00900 -0.03632 -0.07597 -0.01104 83 4YZ 0.05559 0.05228 -0.00058 0.00341 0.02977 84 10 H 1S 0.31441 0.03630 -0.13793 -0.28617 0.11442 85 2S -0.60497 -0.40736 0.36409 0.78075 0.15539 86 11 H 1S -0.21284 -0.05940 0.24534 0.08240 0.20494 87 2S 0.09192 -0.20581 -0.71181 -0.71793 -0.27083 88 12 C 1S -0.00446 -0.00129 -0.00611 -0.00792 0.01275 89 2S -0.25933 0.09539 0.07645 0.11588 0.04861 90 2PX -0.16564 -0.02758 -0.30931 0.45789 0.25958 91 2PY 0.05086 0.04473 -0.17781 0.02681 0.05511 92 2PZ -0.22717 0.22693 -0.06440 0.10803 -0.08729 93 3S 0.69065 -0.48551 -0.31215 0.28188 -0.28251 94 3PX 0.12942 0.06322 0.61945 -0.85747 -0.44013 95 3PY -0.04903 -0.61083 0.91299 -0.16496 0.14710 96 3PZ 0.29859 -0.87836 0.51091 -0.35561 0.06843 97 4XX -0.02944 0.01716 -0.02286 0.00441 0.02397 98 4YY -0.04057 0.00415 0.01718 0.03685 -0.02462 99 4ZZ 0.02089 -0.01968 0.00645 -0.01743 0.01596 100 4XY -0.06900 -0.01584 -0.01335 0.01034 0.01552 101 4XZ 0.01343 0.01109 0.03586 -0.07614 -0.01074 102 4YZ -0.06191 0.04513 0.00066 -0.00312 -0.02986 103 13 H 1S -0.22330 0.03272 -0.24034 0.08427 0.20333 104 2S 0.08264 0.21873 0.70742 -0.71821 -0.26749 105 14 H 1S 0.32038 0.00499 0.13078 -0.28685 0.11530 106 2S -0.66266 0.32933 -0.34791 0.78310 0.15214 107 15 C 1S 0.00192 0.00522 0.00756 0.00500 0.00010 108 2S -0.39337 0.05463 -0.24864 -0.04338 -0.02120 109 2PX 0.07725 0.03640 0.00659 -0.06968 -0.09956 110 2PY 0.18074 -0.05322 0.09025 0.09609 0.06943 111 2PZ 0.28538 0.04283 0.37334 -0.00143 0.07427 112 3S 0.98250 -0.33567 0.65725 0.07798 0.08761 113 3PX -0.02590 -0.06418 0.00187 0.17620 0.23632 114 3PY -0.44401 -0.21450 -0.25223 -0.22400 -0.08154 115 3PZ -0.50637 -0.16030 -1.04536 -0.11517 -0.15016 116 4XX -0.03023 0.00235 -0.03116 -0.00706 -0.01450 117 4YY -0.01610 0.00095 -0.01778 0.01756 0.00754 118 4ZZ -0.01371 -0.00187 0.01031 -0.02265 0.00087 119 4XY -0.04713 0.00276 -0.00200 -0.00814 -0.01540 120 4XZ -0.02090 0.00361 -0.01004 0.02432 -0.03485 121 4YZ 0.06410 0.00947 0.02065 -0.02716 -0.00864 122 16 H 1S 0.25083 0.00904 0.27718 -0.07607 -0.00245 123 2S -0.92433 -0.10977 -0.95517 -0.06765 -0.14554 124 17 C 1S 0.00247 -0.00481 -0.00748 0.00497 0.00013 125 2S -0.37880 -0.11031 0.25157 -0.04383 -0.02192 126 2PX 0.08126 -0.02696 -0.00910 -0.06994 -0.09924 127 2PY -0.17190 -0.07919 0.09190 -0.09740 -0.06915 128 2PZ 0.28179 -0.00300 -0.37717 -0.00090 0.07429 129 3S 0.91908 0.47191 -0.66586 0.07995 0.08796 130 3PX -0.03461 0.06293 0.00182 0.17651 0.23658 131 3PY 0.46490 -0.14838 -0.25673 0.22574 0.08128 132 3PZ -0.50465 0.08626 1.05012 -0.11536 -0.15293 133 4XX -0.02927 -0.00677 0.03144 -0.00719 -0.01459 134 4YY -0.01539 -0.00323 0.01793 0.01732 0.00753 135 4ZZ -0.01401 0.00006 -0.01029 -0.02236 0.00085 136 4XY 0.04634 0.00940 -0.00216 0.00812 0.01547 137 4XZ -0.01995 -0.00640 0.01037 0.02413 -0.03463 138 4YZ -0.06440 0.00033 0.02146 0.02712 0.00876 139 18 H 1S 0.24571 0.02646 -0.28005 -0.07472 -0.00299 140 2S -0.91488 -0.02323 0.96364 -0.06980 -0.14614 141 19 O 1S -0.00677 -0.00144 -0.00074 -0.00210 -0.00070 142 2S -0.00178 0.05254 -0.03018 0.01613 -0.15002 143 2PX -0.03378 -0.01281 -0.04307 -0.03413 -0.00866 144 2PY -0.08266 -0.05627 -0.00123 -0.07925 0.21799 145 2PZ -0.00071 -0.01280 -0.07992 0.00901 0.02325 146 3S 0.09478 -0.03123 0.20354 0.09930 0.12750 147 3PX -0.00691 0.02967 0.07876 0.10960 0.15058 148 3PY 0.22563 0.10565 0.01158 0.19109 -0.31847 149 3PZ 0.02343 0.02615 0.18136 0.02365 -0.09430 150 4XX -0.01705 0.00845 -0.00993 0.01998 -0.04638 151 4YY 0.04339 0.01309 0.00313 -0.01384 -0.03788 152 4ZZ -0.02534 0.02754 -0.01226 0.02556 -0.07811 153 4XY -0.00014 0.00694 0.01239 -0.01132 0.02720 154 4XZ 0.01982 -0.00792 0.00550 -0.01346 0.01235 155 4YZ -0.01486 0.00400 -0.00046 0.02858 -0.02705 156 20 O 1S -0.00689 0.00043 0.00073 -0.00208 -0.00074 157 2S 0.00520 -0.05302 0.03028 0.01531 -0.14971 158 2PX -0.03462 0.00770 0.04339 -0.03459 -0.00856 159 2PY 0.08905 -0.04471 -0.00086 0.07873 -0.21763 160 2PZ -0.00098 0.01187 0.08003 0.00839 0.02323 161 3S 0.08686 0.04615 -0.20253 0.10059 0.12764 162 3PX -0.00397 -0.02879 -0.07762 0.10959 0.15146 163 3PY -0.23698 0.07297 0.01136 -0.19039 0.31791 164 3PZ 0.02317 -0.02187 -0.18142 0.02442 -0.09447 165 4XX -0.01564 -0.01100 0.01016 0.01973 -0.04617 166 4YY 0.04448 -0.00722 -0.00357 -0.01382 -0.03805 167 4ZZ -0.02153 -0.03104 0.01261 0.02512 -0.07794 168 4XY -0.00061 0.00680 0.01240 0.01132 -0.02721 169 4XZ 0.01866 0.01063 -0.00577 -0.01328 0.01231 170 4YZ 0.01437 0.00611 -0.00072 -0.02862 0.02711 171 21 C 1S -0.00137 -0.00014 -0.00009 -0.01681 0.00575 172 2S 0.11446 0.00719 0.00011 0.34528 -0.95906 173 2PX -0.15805 -0.00989 0.00140 0.02445 0.45049 174 2PY -0.00145 0.01360 -0.05815 -0.00007 0.00006 175 2PZ -0.09569 -0.00600 0.00185 0.31339 -0.24968 176 3S -0.37718 -0.02429 -0.00034 -0.90403 2.60481 177 3PX 0.29717 0.01821 -0.00437 -0.21043 -0.67183 178 3PY 0.00129 0.00331 0.18110 -0.00011 0.00054 179 3PZ 0.50196 0.03275 -0.00527 -0.63960 0.15452 180 4XX 0.00018 0.00001 -0.00005 0.01001 -0.01696 181 4YY -0.02867 -0.00200 0.00020 0.05327 -0.06138 182 4ZZ 0.02656 0.00168 -0.00032 -0.06107 0.01445 183 4XY 0.00001 -0.00195 -0.01272 0.00004 -0.00005 184 4XZ -0.04068 -0.00283 0.00017 -0.00317 0.00556 185 4YZ 0.00098 -0.01884 -0.01640 0.00012 -0.00009 186 22 H 1S -0.05141 -0.00317 -0.00049 -0.12139 0.34709 187 2S 0.40948 0.02583 -0.00327 0.03937 -1.26456 188 23 H 1S -0.00463 -0.00079 -0.00118 -0.39987 0.39510 189 2S -0.32190 -0.02062 0.00556 1.09936 -0.93487 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94029 0.95122 1.00794 1.01440 1 1 C 1S 0.00657 -0.00255 0.01119 0.00775 0.00066 2 2S 0.18968 -0.44884 -0.08992 0.43354 -0.03854 3 2PX -0.19711 -0.04116 -0.30457 -0.03997 0.10210 4 2PY -0.04274 0.38580 0.15170 -0.08650 0.05227 5 2PZ 0.10023 0.01492 0.18378 -0.09808 -0.04490 6 3S -0.44512 1.17689 1.33198 -2.12276 -0.29469 7 3PX 0.90293 0.27739 1.62882 -0.83283 -0.60261 8 3PY 0.21315 -0.81335 -0.13270 0.22200 0.44360 9 3PZ -0.83713 -0.54803 -1.55633 0.50367 0.60158 10 4XX 0.03627 -0.04956 -0.00160 -0.04657 -0.04182 11 4YY 0.04189 0.00220 0.02678 0.08347 0.09362 12 4ZZ -0.04575 -0.02287 -0.00243 -0.00295 -0.06596 13 4XY -0.00971 0.02791 -0.01671 0.05910 -0.03025 14 4XZ -0.02705 0.02019 -0.07266 0.00985 -0.02954 15 4YZ -0.01715 -0.00121 -0.01106 0.04296 0.04333 16 2 H 1S 0.02948 0.19332 0.14255 0.13046 0.39266 17 2S 0.14516 -0.96743 -0.38220 0.15753 -0.14137 18 3 C 1S -0.00091 0.00628 -0.00336 0.01320 -0.01532 19 2S 0.33557 -0.25671 0.25409 0.46373 -0.49474 20 2PX 0.00560 -0.10577 -0.04285 0.12735 0.10295 21 2PY -0.06917 0.08092 -0.27289 0.27638 0.19499 22 2PZ -0.04125 0.18679 0.06738 -0.14929 0.07539 23 3S -1.22578 0.01436 -0.85600 -1.84220 1.67287 24 3PX 0.12669 0.22979 0.91385 -1.13532 -0.08881 25 3PY 0.47023 0.25930 2.07535 -2.34829 -0.98926 26 3PZ -0.06139 -0.30310 -0.84371 1.23819 -0.24851 27 4XX 0.00615 -0.01929 -0.00077 0.02112 -0.01982 28 4YY 0.01649 -0.04837 0.03732 -0.02647 -0.02326 29 4ZZ 0.02356 0.03345 -0.01372 0.06142 -0.02410 30 4XY -0.01138 -0.02300 -0.01321 -0.00524 -0.00859 31 4XZ 0.00230 -0.03624 0.03184 -0.06782 0.02808 32 4YZ 0.00770 0.08442 0.01261 0.03077 -0.05318 33 4 H 1S -0.03425 0.33014 -0.13374 0.22500 -0.25376 34 2S 0.32292 -0.57924 0.29734 0.22848 -0.46409 35 5 C 1S 0.00094 0.00625 0.00338 -0.01332 -0.01535 36 2S -0.33775 -0.25340 -0.25487 -0.46821 -0.49559 37 2PX -0.00637 -0.10595 0.04320 -0.12720 0.10279 38 2PY -0.06986 -0.07981 -0.27261 0.27501 -0.19428 39 2PZ 0.04291 0.18649 -0.06747 0.14914 0.07580 40 3S 1.22603 0.00373 0.85350 1.85947 1.67540 41 3PX -0.12517 0.23380 -0.91534 1.13439 -0.08578 42 3PY 0.46829 -0.26950 2.07108 -2.33880 0.98516 43 3PZ 0.05866 -0.30750 0.84565 -1.23847 -0.24965 44 4XX -0.00629 -0.01925 0.00076 -0.02097 -0.01976 45 4YY -0.01692 -0.04783 -0.03756 0.02595 -0.02333 46 4ZZ -0.02331 0.03330 0.01385 -0.06161 -0.02424 47 4XY -0.01111 0.02326 -0.01300 -0.00570 0.00853 48 4XZ -0.00261 -0.03594 -0.03198 0.06797 0.02819 49 4YZ 0.00704 -0.08461 0.01220 0.03131 0.05318 50 6 H 1S 0.03688 0.32912 0.13472 -0.22563 -0.25426 51 2S -0.32831 -0.57561 -0.29861 -0.22988 -0.46520 52 7 C 1S -0.00664 -0.00246 -0.01119 -0.00771 0.00074 53 2S -0.19276 -0.44862 0.08914 -0.43010 -0.03807 54 2PX 0.19651 -0.04348 0.30448 0.04131 0.10282 55 2PY -0.04470 -0.38650 0.15230 -0.08609 -0.05145 56 2PZ -0.10039 0.01498 -0.18332 0.09713 -0.04380 57 3S 0.45456 1.18190 -1.32899 2.10700 -0.29547 58 3PX -0.90067 0.28987 -1.62761 0.82715 -0.60191 59 3PY 0.21493 0.81468 -0.13740 0.22332 -0.44695 60 3PZ 0.83392 -0.55397 1.55252 -0.49652 0.59455 61 4XX -0.03659 -0.04907 0.00145 0.04629 -0.04208 62 4YY -0.04180 0.00245 -0.02671 -0.08311 0.09389 63 4ZZ 0.04555 -0.02329 0.00241 0.00322 -0.06584 64 4XY -0.00991 -0.02764 -0.01687 0.05930 0.03017 65 4XZ 0.02723 0.01968 0.07267 -0.00952 -0.02946 66 4YZ -0.01718 0.00158 -0.01099 0.04266 -0.04298 67 8 H 1S -0.02834 0.19383 -0.14237 -0.13026 0.39317 68 2S -0.15072 -0.96830 0.38171 -0.15490 -0.14043 69 9 C 1S -0.02684 -0.02124 0.01198 -0.00229 0.00034 70 2S 0.57918 -0.17364 -0.32927 -0.23286 0.47151 71 2PX 0.06450 -0.12031 0.18168 0.07934 -0.05675 72 2PY 0.27447 -0.03149 0.00205 -0.01440 0.05740 73 2PZ 0.22333 -0.13591 -0.13686 -0.09070 0.24368 74 3S -1.41771 0.74341 0.29205 0.85418 -1.37819 75 3PX -0.13328 0.30529 -0.09337 -0.66782 0.11591 76 3PY -1.15175 0.16843 -0.81291 -0.22135 -0.14740 77 3PZ 0.07681 0.05177 0.71873 0.15381 -0.08998 78 4XX -0.00387 -0.03303 0.06396 -0.02503 -0.07370 79 4YY 0.04822 0.00027 -0.01229 -0.00888 0.07115 80 4ZZ 0.00400 -0.01698 -0.09206 0.00701 0.07071 81 4XY -0.00621 0.05413 -0.03000 0.02323 -0.03564 82 4XZ -0.06429 0.00524 -0.02249 0.07102 -0.00562 83 4YZ -0.01594 -0.01506 0.00666 0.00050 0.03391 84 10 H 1S -0.50857 -0.05114 0.05819 0.23843 -0.19837 85 2S 1.05359 -0.36234 -0.10090 -0.24392 0.44840 86 11 H 1S -0.22235 -0.23262 0.43668 -0.12671 -0.24026 87 2S 0.50247 0.26210 -0.59401 -0.24347 0.60073 88 12 C 1S 0.02670 -0.02140 -0.01209 0.00232 0.00029 89 2S -0.58030 -0.16935 0.33002 0.23000 0.46993 90 2PX -0.06483 -0.12027 -0.18194 -0.07829 -0.05715 91 2PY 0.27512 0.02974 0.00158 -0.01352 -0.05765 92 2PZ -0.22366 -0.13413 0.13717 0.08969 0.24245 93 3S 1.42285 0.73131 -0.29037 -0.84860 -1.37445 94 3PX 0.13499 0.30918 0.09468 0.66540 0.11282 95 3PY -1.15324 -0.16040 -0.81335 -0.22230 0.15093 96 3PZ -0.07798 0.05202 -0.72055 -0.15176 -0.08510 97 4XX 0.00345 -0.03271 -0.06432 0.02535 -0.07394 98 4YY -0.04811 0.00053 0.01257 0.00851 0.07124 99 4ZZ -0.00401 -0.01719 0.09220 -0.00735 0.07059 100 4XY -0.00655 -0.05397 -0.03020 0.02372 0.03551 101 4XZ 0.06435 0.00429 0.02210 -0.07113 -0.00535 102 4YZ -0.01591 0.01522 0.00654 0.00030 -0.03399 103 13 H 1S 0.22075 -0.23266 -0.43825 0.12928 -0.24115 104 2S -0.50165 0.26639 0.59480 0.23577 0.59912 105 14 H 1S 0.50796 -0.05569 -0.05973 -0.23757 -0.19676 106 2S -1.05552 -0.35435 0.10190 0.24266 0.44519 107 15 C 1S -0.00273 -0.01079 -0.00756 0.01579 0.00953 108 2S 0.10827 0.13770 0.13160 0.81355 0.22085 109 2PX -0.06015 0.16694 -0.02431 0.07844 0.09973 110 2PY 0.19414 -0.15721 0.10324 0.03350 0.02879 111 2PZ -0.04615 -0.26752 -0.05823 -0.15573 -0.01253 112 3S -0.21364 -0.52731 -0.06447 -2.52050 -0.45413 113 3PX -0.08767 -0.23920 -0.23200 -0.17195 -0.29607 114 3PY -0.47951 0.38086 -0.16708 -0.52563 0.12940 115 3PZ 0.86968 0.51779 0.70216 0.65498 0.06356 116 4XX -0.00874 0.02850 0.01592 0.03434 -0.02806 117 4YY -0.01793 0.00057 -0.00431 0.01010 0.03087 118 4ZZ 0.04421 -0.01241 0.01947 0.05301 0.02120 119 4XY -0.00112 -0.05106 -0.00027 -0.00127 0.05776 120 4XZ -0.05254 0.01050 -0.03488 -0.04566 0.03880 121 4YZ 0.02746 -0.04398 0.02361 0.00568 0.03682 122 16 H 1S 0.27631 -0.18652 0.14055 0.02194 0.13941 123 2S 0.01457 0.70132 0.16057 0.71301 0.12536 124 17 C 1S 0.00266 -0.01088 0.00759 -0.01584 0.00968 125 2S -0.10634 0.13829 -0.13103 -0.81426 0.22010 126 2PX 0.06186 0.16591 0.02497 -0.07771 0.09823 127 2PY 0.19564 0.15556 0.10352 0.03315 -0.02748 128 2PZ 0.04406 -0.26779 0.05732 0.15591 -0.01294 129 3S 0.20667 -0.52914 0.06105 2.52060 -0.44559 130 3PX 0.08490 -0.23777 0.23070 0.17147 -0.29505 131 3PY -0.48179 -0.37604 -0.16699 -0.52449 -0.13812 132 3PZ -0.86650 0.52418 -0.70166 -0.65719 0.06819 133 4XX 0.00901 0.02847 -0.01585 -0.03447 -0.02803 134 4YY 0.01796 0.00014 0.00433 -0.01007 0.03121 135 4ZZ -0.04435 -0.01200 -0.01946 -0.05319 0.02135 136 4XY -0.00062 0.05105 0.00001 -0.00127 -0.05782 137 4XZ 0.05265 0.01019 0.03508 0.04569 0.03810 138 4YZ 0.02819 0.04377 0.02394 0.00548 -0.03688 139 18 H 1S -0.27838 -0.18495 -0.14114 -0.02197 0.14104 140 2S -0.00726 0.70124 -0.15801 -0.71388 0.12688 141 19 O 1S 0.00952 -0.00335 0.00859 0.00798 -0.00259 142 2S 0.01626 0.02278 -0.14145 0.09412 0.01708 143 2PX 0.13656 -0.00560 -0.10149 -0.01834 -0.06857 144 2PY 0.01858 -0.14691 0.11209 0.05932 0.12685 145 2PZ 0.04522 0.05068 -0.21547 -0.06295 -0.01959 146 3S -0.33811 -0.02680 0.05061 -0.15536 0.12818 147 3PX -0.38639 -0.03290 -0.11392 0.00580 0.11206 148 3PY -0.05637 0.16111 -0.18401 -0.08503 -0.11985 149 3PZ 0.00626 -0.08099 0.32916 0.00307 0.04940 150 4XX 0.01964 0.00608 -0.07366 0.04029 0.00281 151 4YY 0.03578 0.02165 -0.00342 0.06413 -0.00308 152 4ZZ -0.03842 0.00251 -0.02748 -0.00593 0.00278 153 4XY 0.01729 -0.00609 0.00535 0.01232 -0.04031 154 4XZ 0.00843 0.02930 0.01722 -0.04137 -0.00392 155 4YZ -0.00034 -0.02003 -0.00114 -0.02096 0.01877 156 20 O 1S -0.00956 -0.00328 -0.00864 -0.00802 -0.00261 157 2S -0.01612 0.02228 0.14162 -0.09507 0.01383 158 2PX -0.13694 -0.00506 0.10042 0.01796 -0.06624 159 2PY 0.02001 0.14664 0.11272 0.05879 -0.12959 160 2PZ -0.04467 0.05088 0.21541 0.06439 -0.01949 161 3S 0.33839 -0.02792 -0.04949 0.15698 0.13476 162 3PX 0.38662 -0.03566 0.11533 -0.00495 0.10754 163 3PY -0.05780 -0.16072 -0.18520 -0.08409 0.12475 164 3PZ -0.00708 -0.08058 -0.32898 -0.00550 0.04963 165 4XX -0.01961 0.00591 0.07377 -0.04086 0.00193 166 4YY -0.03562 0.02173 0.00355 -0.06422 -0.00362 167 4ZZ 0.03844 0.00224 0.02753 0.00564 0.00113 168 4XY 0.01745 0.00586 0.00567 0.01211 0.04026 169 4XZ -0.00819 0.02941 -0.01709 0.04142 -0.00369 170 4YZ -0.00038 0.02009 -0.00114 -0.02139 -0.01872 171 21 C 1S 0.00001 0.00221 0.00002 0.00000 0.03072 172 2S 0.00064 -0.06398 0.00175 0.00098 0.54777 173 2PX -0.00095 -0.13780 -0.00080 -0.00071 -0.00708 174 2PY -0.01822 0.00013 -0.11487 -0.01184 0.00094 175 2PZ 0.00027 0.00194 0.00049 0.00048 -0.00335 176 3S -0.00261 -0.06990 -0.00511 -0.00236 -1.11996 177 3PX 0.00030 -0.08449 0.00015 0.00204 -0.03124 178 3PY 0.12172 -0.00128 0.44942 -0.05077 -0.00286 179 3PZ 0.00108 0.31946 -0.00007 -0.00079 -0.07542 180 4XX -0.00004 -0.01126 -0.00002 0.00030 -0.00434 181 4YY -0.00017 -0.05703 0.00006 0.00019 0.05963 182 4ZZ 0.00022 0.04842 0.00010 -0.00026 0.04970 183 4XY 0.04028 -0.00007 -0.04886 0.01244 -0.00004 184 4XZ -0.00010 -0.02227 -0.00013 -0.00030 0.00591 185 4YZ 0.02862 -0.00016 -0.01799 0.01848 -0.00041 186 22 H 1S -0.00085 -0.15614 -0.00084 -0.00004 0.00077 187 2S 0.00165 0.13984 0.00211 0.00138 0.32724 188 23 H 1S -0.00012 0.09046 -0.00044 -0.00160 0.13793 189 2S -0.00028 -0.37425 0.00169 0.00334 0.11173 106 107 108 109 110 V V V V V Eigenvalues -- 1.02298 1.02721 1.09206 1.09919 1.11415 1 1 C 1S -0.01106 0.00052 0.01197 -0.02081 -0.01136 2 2S -0.20391 0.22088 -0.12408 -0.82602 0.05767 3 2PX -0.13565 0.12000 0.05043 -0.03487 0.00622 4 2PY 0.06636 0.10475 0.05058 0.03817 -0.11110 5 2PZ -0.01929 -0.06859 0.05488 0.10181 -0.05867 6 3S 0.96544 -1.02718 0.36757 2.74768 -0.53233 7 3PX 0.49509 -0.72658 0.16275 0.40381 -0.17727 8 3PY -0.01768 -0.03054 -0.36209 0.62019 0.13399 9 3PZ -0.26076 0.58384 -0.38423 -0.35404 0.16346 10 4XX 0.00481 -0.01526 0.03866 0.02422 -0.01706 11 4YY -0.01079 0.04079 -0.02384 -0.02285 0.02746 12 4ZZ -0.02227 -0.01522 -0.00661 -0.09218 -0.01669 13 4XY 0.00836 0.00129 0.00908 -0.02547 0.03074 14 4XZ -0.01019 0.01614 -0.02342 -0.01885 0.03508 15 4YZ -0.00543 0.00427 0.00448 -0.02561 0.05505 16 2 H 1S -0.03742 0.12668 -0.04996 0.10842 -0.09488 17 2S -0.20857 0.00647 -0.25498 -0.29356 0.19180 18 3 C 1S 0.00452 -0.01311 0.00856 0.01557 -0.01725 19 2S 0.29671 -0.43900 0.30248 0.56383 -0.48764 20 2PX 0.02314 -0.00662 -0.01935 -0.08106 0.10475 21 2PY 0.00023 0.15722 0.03468 0.01706 -0.00843 22 2PZ 0.01084 0.05220 0.01790 0.12119 0.00909 23 3S -1.19218 1.78919 -0.83688 -1.78301 0.98341 24 3PX 0.09614 -0.19666 0.11170 0.69277 -0.27245 25 3PY 0.21713 -0.73050 0.17792 0.13952 -0.16673 26 3PZ -0.22849 0.10711 -0.03597 -0.69852 0.04782 27 4XX -0.00128 0.00934 -0.00582 -0.00583 -0.04621 28 4YY 0.00534 -0.04069 0.00547 0.09236 -0.05723 29 4ZZ 0.02809 -0.03253 0.03363 -0.01839 0.05679 30 4XY -0.00565 0.01968 -0.00417 -0.08288 0.01819 31 4XZ -0.00403 0.00955 -0.01798 -0.01972 0.02811 32 4YZ 0.01060 -0.04174 0.00514 -0.01676 0.01888 33 4 H 1S 0.03590 -0.04402 0.08603 -0.10206 -0.02596 34 2S 0.14746 -0.35112 0.09922 -0.10612 -0.16527 35 5 C 1S -0.00453 -0.01296 -0.00830 0.01558 -0.01728 36 2S -0.29841 -0.43280 -0.29239 0.56430 -0.48776 37 2PX -0.02389 -0.00546 0.01792 -0.08166 0.10446 38 2PY 0.00004 -0.15870 0.03435 -0.01738 0.00873 39 2PZ -0.01069 0.05124 -0.01631 0.12204 0.00933 40 3S 1.19963 1.76415 0.80859 -1.77791 0.98362 41 3PX -0.09849 -0.20425 -0.10073 0.69971 -0.27374 42 3PY 0.21624 0.74252 0.17680 -0.14758 0.16264 43 3PZ 0.23250 0.11455 0.02535 -0.70515 0.05107 44 4XX 0.00163 0.00952 0.00593 -0.00611 -0.04640 45 4YY -0.00580 -0.04090 -0.00389 0.09252 -0.05718 46 4ZZ -0.02825 -0.03176 -0.03413 -0.01825 0.05694 47 4XY -0.00604 -0.01949 -0.00274 0.08258 -0.01812 48 4XZ 0.00386 0.00902 0.01767 -0.01960 0.02807 49 4YZ 0.01047 0.04134 0.00573 0.01721 -0.01933 50 6 H 1S -0.03376 -0.04181 -0.08831 -0.10317 -0.02406 51 2S -0.14799 -0.34774 -0.10015 -0.10754 -0.16445 52 7 C 1S 0.01110 0.00049 -0.01230 -0.02070 -0.01140 53 2S 0.20766 0.22135 0.11127 -0.82768 0.05670 54 2PX 0.13632 0.11843 -0.05122 -0.03310 0.00513 55 2PY 0.06562 -0.10402 0.04999 -0.04035 0.11236 56 2PZ 0.01927 -0.06942 -0.05354 0.10247 -0.05783 57 3S -0.97781 -1.03205 -0.32232 2.75627 -0.53223 58 3PX -0.49849 -0.72753 -0.15745 0.40682 -0.17668 59 3PY -0.01322 0.02621 -0.37389 -0.60943 -0.13603 60 3PZ 0.26048 0.58304 0.38111 -0.36015 0.15821 61 4XX -0.00487 -0.01557 -0.03828 0.02482 -0.01696 62 4YY 0.01060 0.04121 0.02352 -0.02351 0.02727 63 4ZZ 0.02279 -0.01545 0.00520 -0.09201 -0.01677 64 4XY 0.00806 -0.00190 0.00955 0.02563 -0.03112 65 4XZ 0.01057 0.01617 0.02301 -0.01926 0.03555 66 4YZ -0.00513 -0.00425 0.00519 0.02562 -0.05506 67 8 H 1S 0.03572 0.12728 0.05235 0.10699 -0.09571 68 2S 0.20959 0.00634 0.25040 -0.29924 0.19377 69 9 C 1S 0.00744 0.00464 0.01174 0.00034 -0.01176 70 2S 0.10086 -0.35673 -0.24727 -0.10765 -0.32276 71 2PX 0.06280 0.01746 0.07637 -0.16513 0.13871 72 2PY 0.06339 -0.23765 -0.11611 -0.08522 -0.03006 73 2PZ 0.05588 -0.26391 -0.10691 -0.06339 -0.03573 74 3S -0.34218 0.97711 0.33329 0.06890 0.78292 75 3PX 0.04559 -0.02235 -0.45461 0.24631 -0.42553 76 3PY -0.19095 0.39518 0.34321 0.18323 0.19256 77 3PZ -0.14994 0.59474 0.32767 0.51359 0.13051 78 4XX 0.01683 0.01542 0.02899 -0.01063 -0.01837 79 4YY 0.00371 -0.03568 -0.02032 -0.00061 -0.04213 80 4ZZ 0.00438 -0.02524 -0.03150 -0.00539 0.00568 81 4XY -0.01223 -0.11387 -0.01287 -0.09010 -0.03005 82 4XZ -0.01832 -0.01758 -0.02178 0.02396 -0.05833 83 4YZ -0.00542 0.01921 0.02042 0.04145 0.05638 84 10 H 1S -0.06391 0.07317 0.17665 -0.05158 -0.00884 85 2S 0.28114 -0.47185 -0.23235 -0.37755 -0.01616 86 11 H 1S 0.07343 0.43352 0.29417 0.13947 0.09266 87 2S 0.08556 -1.12867 -0.88092 -0.22186 -0.75676 88 12 C 1S -0.00743 0.00470 -0.01159 0.00044 -0.01160 89 2S -0.10842 -0.35604 0.24914 -0.11194 -0.31887 90 2PX -0.06205 0.01889 -0.07950 -0.16427 0.13914 91 2PY 0.06632 0.23725 -0.11545 0.08699 0.02950 92 2PZ -0.06053 -0.26297 0.10652 -0.06524 -0.03408 93 3S 0.36538 0.97607 -0.34355 0.07495 0.76898 94 3PX -0.04638 -0.02868 0.45990 0.23995 -0.42764 95 3PY -0.19706 -0.39131 0.34385 -0.19197 -0.19031 96 3PZ 0.15556 0.59298 -0.31939 0.52101 0.12506 97 4XX -0.01624 0.01524 -0.02906 -0.01038 -0.01836 98 4YY -0.00461 -0.03548 0.02063 -0.00075 -0.04178 99 4ZZ -0.00512 -0.02504 0.03158 -0.00597 0.00582 100 4XY -0.01147 0.11390 -0.01188 0.09030 0.03017 101 4XZ 0.01811 -0.01701 0.02230 0.02371 -0.05772 102 4YZ -0.00521 -0.01914 0.01981 -0.04179 -0.05638 103 13 H 1S -0.06757 0.43261 -0.29280 0.14336 0.09161 104 2S -0.10142 -1.12848 0.88318 -0.23589 -0.75121 105 14 H 1S 0.06597 0.07386 -0.17706 -0.04983 -0.00786 106 2S -0.28943 -0.46886 0.22825 -0.38275 -0.01172 107 15 C 1S -0.01060 -0.00077 0.00470 0.00899 0.01459 108 2S 0.10570 0.04103 -0.08760 -0.21014 0.33045 109 2PX 0.18601 0.06235 -0.06280 -0.13851 0.16806 110 2PY 0.18726 -0.06904 0.01276 -0.00815 0.05723 111 2PZ -0.04785 -0.09536 -0.13339 0.01408 0.05960 112 3S -1.28378 -0.22950 0.37872 0.44859 -0.05388 113 3PX -0.36571 -0.03764 -0.16621 -0.21880 -0.43240 114 3PY -1.23256 0.19169 0.21598 0.03736 -0.34119 115 3PZ -0.10749 0.17169 1.10100 0.11318 -0.13446 116 4XX -0.01121 0.00972 -0.04047 0.05168 -0.02866 117 4YY -0.01941 -0.00784 0.00354 -0.05458 0.04740 118 4ZZ -0.02241 0.00416 0.05037 0.04357 0.02850 119 4XY 0.00673 0.01570 -0.01333 -0.01714 0.01445 120 4XZ 0.07211 -0.01542 -0.01447 0.01277 -0.00869 121 4YZ -0.00002 0.04917 0.00184 -0.05361 -0.08908 122 16 H 1S -0.07800 -0.00116 0.24559 0.08508 -0.02639 123 2S -0.14339 0.16746 0.29799 -0.04712 -0.02422 124 17 C 1S 0.01050 -0.00076 -0.00457 0.00910 0.01454 125 2S -0.10682 0.04646 0.08494 -0.21134 0.32791 126 2PX -0.18612 0.06456 0.06091 -0.13972 0.16830 127 2PY 0.18801 0.06734 0.01299 0.00757 -0.05633 128 2PZ 0.04690 -0.09653 0.13390 0.01244 0.05958 129 3S 1.28417 -0.25681 -0.37471 0.45021 -0.03863 130 3PX 0.36774 -0.04185 0.16335 -0.21854 -0.43891 131 3PY -1.23356 -0.17659 0.21604 -0.03895 0.33335 132 3PZ 0.10640 0.17304 -1.09917 0.12517 -0.13175 133 4XX 0.01135 0.00979 0.04171 0.05102 -0.02840 134 4YY 0.01916 -0.00779 -0.00435 -0.05475 0.04711 135 4ZZ 0.02228 0.00398 -0.05020 0.04449 0.02878 136 4XY 0.00707 -0.01573 -0.01295 0.01738 -0.01438 137 4XZ -0.07254 -0.01493 0.01474 0.01265 -0.00879 138 4YZ -0.00039 -0.04920 0.00251 0.05328 0.08907 139 18 H 1S 0.07690 -0.00197 -0.24445 0.08866 -0.02602 140 2S 0.14422 0.16970 -0.29737 -0.04536 -0.02326 141 19 O 1S 0.00630 -0.00087 -0.00158 0.00679 0.01300 142 2S 0.45910 -0.13191 0.00522 0.07735 0.21766 143 2PX -0.26673 0.05697 0.34367 0.02902 -0.07751 144 2PY -0.37391 0.06809 -0.25127 0.11654 -0.13242 145 2PZ -0.03913 0.06660 0.26203 -0.31688 -0.41448 146 3S -1.13237 0.12290 -0.18442 -0.24659 -0.75697 147 3PX 0.45433 -0.16198 -0.71770 -0.24313 0.11865 148 3PY 0.65929 -0.21315 0.38664 -0.20623 0.16384 149 3PZ 0.00390 -0.18340 -0.30094 0.62248 0.72748 150 4XX 0.12910 -0.07459 0.09923 0.01208 0.14812 151 4YY 0.09164 -0.03635 -0.04599 0.03157 -0.03216 152 4ZZ 0.21118 -0.01784 -0.04751 0.00785 0.08786 153 4XY -0.01473 0.05149 -0.01395 -0.00631 -0.04816 154 4XZ -0.00418 0.00437 0.06608 -0.02127 -0.00938 155 4YZ 0.01387 0.04613 0.00107 -0.01455 -0.02450 156 20 O 1S -0.00630 -0.00075 0.00162 0.00670 0.01304 157 2S -0.46070 -0.12650 -0.00483 0.07648 0.21729 158 2PX 0.26774 0.05397 -0.34246 0.03424 -0.07851 159 2PY -0.37341 -0.06479 -0.25275 -0.11248 0.13236 160 2PZ 0.03953 0.06575 -0.26541 -0.31265 -0.41715 161 3S 1.13295 0.11011 0.18371 -0.24525 -0.75909 162 3PX -0.45622 -0.15692 0.71289 -0.25275 0.11847 163 3PY 0.65987 0.20728 0.38927 0.19929 -0.16316 164 3PZ -0.00555 -0.18310 0.30777 0.61690 0.73268 165 4XX -0.12980 -0.07294 -0.09967 0.01333 0.14748 166 4YY -0.09215 -0.03489 0.04644 0.03056 -0.03220 167 4ZZ -0.21136 -0.01580 0.04756 0.00681 0.08824 168 4XY -0.01560 -0.05137 -0.01387 0.00653 0.04812 169 4XZ 0.00429 0.00395 -0.06645 -0.02027 -0.00919 170 4YZ 0.01375 -0.04615 0.00131 0.01463 0.02428 171 21 C 1S -0.00015 -0.00101 0.00027 0.02838 -0.03481 172 2S -0.00114 0.28353 0.00486 0.55330 -0.49413 173 2PX -0.00161 -0.33926 -0.00101 -0.10056 0.03340 174 2PY 0.25322 -0.00144 0.00510 0.00006 0.00001 175 2PZ 0.00084 0.09390 -0.00049 -0.02686 0.02136 176 3S 0.00079 -0.94563 -0.01345 -1.64982 0.76814 177 3PX 0.00463 1.00423 0.00339 0.29776 -0.20813 178 3PY -0.75485 0.00466 0.36865 -0.00221 -0.00070 179 3PZ -0.00138 -0.17185 0.00012 -0.32284 -0.47113 180 4XX 0.00060 0.12180 0.00026 0.01944 -0.10776 181 4YY 0.00016 0.04709 0.00014 0.02848 0.00342 182 4ZZ -0.00098 -0.11863 0.00027 0.01472 -0.03334 183 4XY 0.00350 0.00000 0.14954 -0.00118 0.00013 184 4XZ -0.00025 -0.04059 0.00035 0.05212 0.15566 185 4YZ -0.10162 0.00064 0.05847 -0.00053 0.00043 186 22 H 1S -0.00008 0.03429 0.00101 0.10086 -0.05030 187 2S 0.00135 0.62646 0.00464 0.47108 -0.32727 188 23 H 1S -0.00306 -0.47976 0.00091 0.10613 -0.03805 189 2S 0.00457 1.02064 0.00244 0.55812 0.19795 111 112 113 114 115 V V V V V Eigenvalues -- 1.14920 1.15182 1.18941 1.20406 1.25129 1 1 C 1S 0.00780 0.00333 0.00505 0.02083 0.00079 2 2S -0.40220 0.26822 0.07529 0.20134 0.26682 3 2PX -0.03693 -0.16540 0.02948 -0.02821 0.02199 4 2PY -0.29273 -0.06029 0.10139 -0.33542 0.05163 5 2PZ 0.14026 0.01392 0.08652 -0.02020 -0.07004 6 3S -0.28187 -0.39048 -0.77383 -1.58424 -0.88059 7 3PX -0.01895 0.43235 0.17149 0.24615 -0.56495 8 3PY 0.60950 0.04702 -0.87531 1.77408 -0.14428 9 3PZ -0.62315 -0.27270 -0.95886 0.38190 0.33653 10 4XX 0.02650 -0.03250 -0.05369 -0.00327 -0.04331 11 4YY -0.02246 0.01578 -0.01858 0.13664 -0.00444 12 4ZZ -0.02505 0.04171 0.06178 -0.08055 0.04722 13 4XY 0.04139 -0.01450 0.01887 -0.05767 0.05134 14 4XZ 0.10586 -0.00209 -0.00800 0.01887 0.02250 15 4YZ 0.03874 0.01750 -0.00929 0.02241 0.07779 16 2 H 1S 0.09895 -0.04496 -0.13722 0.54270 0.05443 17 2S 0.29697 0.20615 -0.30896 0.82697 0.06602 18 3 C 1S -0.00266 0.00058 -0.00161 -0.00950 -0.04037 19 2S -0.01435 0.03915 -0.18273 -0.35372 -0.90775 20 2PX 0.00682 0.01679 -0.00087 0.08072 0.03466 21 2PY -0.05775 -0.07617 -0.04389 -0.07594 -0.00065 22 2PZ -0.05679 -0.02593 0.05188 -0.11832 0.15794 23 3S -0.38089 -0.43787 0.02172 -0.07379 3.45189 24 3PX -0.62535 -0.05866 -0.10514 -0.45734 0.04093 25 3PY 0.21809 0.32243 0.42923 -0.85437 0.19851 26 3PZ 1.03942 0.09944 0.14636 0.27769 -0.76796 27 4XX -0.05826 0.02241 -0.00633 -0.02566 -0.04026 28 4YY 0.00392 -0.00963 -0.02824 -0.01233 -0.01646 29 4ZZ 0.06690 -0.00493 0.02339 -0.00023 -0.03159 30 4XY -0.03520 0.01140 0.11163 -0.02812 0.06134 31 4XZ 0.01249 0.00430 -0.00703 0.05155 0.07698 32 4YZ 0.05286 0.04333 0.12670 0.00008 -0.01132 33 4 H 1S 0.39781 0.07784 0.14247 -0.05153 -0.37774 34 2S 0.39045 0.14265 -0.02342 0.02644 -0.65637 35 5 C 1S 0.00247 0.00069 -0.00175 0.00955 0.04022 36 2S 0.00987 0.04203 -0.18713 0.35417 0.90350 37 2PX -0.00633 0.01594 -0.00029 -0.08154 -0.03312 38 2PY -0.06002 0.07464 0.04401 -0.07665 0.00039 39 2PZ 0.05690 -0.02369 0.05175 0.11885 -0.15919 40 3S 0.40369 -0.43384 0.03064 0.07274 -3.44247 41 3PX 0.62309 -0.03861 -0.10715 0.45924 -0.04571 42 3PY 0.23297 -0.32320 -0.42213 -0.85421 0.19701 43 3PZ -1.04010 0.07001 0.14458 -0.28003 0.77270 44 4XX 0.05779 0.02391 -0.00623 0.02501 0.04077 45 4YY -0.00433 -0.00954 -0.02822 0.01248 0.01578 46 4ZZ -0.06657 -0.00660 0.02276 0.00068 0.03173 47 4XY -0.03507 -0.01226 -0.11163 -0.02867 0.06154 48 4XZ -0.01233 0.00384 -0.00661 -0.05181 -0.07626 49 4YZ 0.05411 -0.04209 -0.12670 -0.00025 -0.01173 50 6 H 1S -0.40074 0.06852 0.14065 0.05206 0.37776 51 2S -0.39467 0.13286 -0.02570 -0.02784 0.65861 52 7 C 1S -0.00793 0.00304 0.00510 -0.02073 -0.00118 53 2S 0.39830 0.27731 0.07783 -0.20111 -0.27184 54 2PX 0.04085 -0.16541 0.02932 0.02861 -0.01995 55 2PY -0.29272 0.05185 -0.10025 -0.33663 0.05198 56 2PZ -0.14252 0.01104 0.08569 0.02009 0.06952 57 3S 0.28224 -0.37412 -0.78452 1.57960 0.89333 58 3PX 0.00513 0.43616 0.16840 -0.24567 0.55638 59 3PY 0.60564 -0.02585 0.86815 1.77921 -0.13989 60 3PZ 0.63882 -0.26271 -0.95155 -0.38472 -0.32697 61 4XX -0.02616 -0.03305 -0.05393 0.00382 0.04280 62 4YY 0.02243 0.01596 -0.01783 -0.13702 0.00353 63 4ZZ 0.02433 0.04242 0.06147 0.08040 -0.04613 64 4XY 0.04085 0.01525 -0.01855 -0.05787 0.05128 65 4XZ -0.10551 -0.00488 -0.00822 -0.01933 -0.02107 66 4YZ 0.03880 -0.01655 0.00892 0.02183 0.07829 67 8 H 1S -0.09758 -0.04955 -0.13433 -0.54261 -0.05762 68 2S -0.29841 0.19598 -0.30431 -0.82893 -0.06763 69 9 C 1S 0.02842 0.00291 -0.03858 -0.01372 0.01277 70 2S 0.38562 0.05837 -0.80608 -0.19052 0.29042 71 2PX 0.08644 -0.01343 0.11805 -0.00165 0.15264 72 2PY 0.01201 -0.04196 0.04732 -0.04651 0.01459 73 2PZ 0.12907 -0.10569 0.03674 -0.16485 0.03550 74 3S -1.28379 0.34274 2.25458 1.56062 -0.93266 75 3PX -0.42780 -0.07274 -0.05064 0.38302 -0.82023 76 3PY -0.54057 0.15878 0.30260 -1.06433 0.23833 77 3PZ -0.56726 0.04310 -0.52418 0.43183 -0.39105 78 4XX -0.01095 -0.00167 0.00529 0.00923 -0.00364 79 4YY 0.01751 -0.01398 -0.07297 0.01415 0.01343 80 4ZZ 0.05051 0.02550 -0.05728 -0.03774 0.02213 81 4XY 0.00147 0.00981 0.06080 0.00513 0.00836 82 4XZ 0.06543 -0.04452 0.00103 -0.04303 0.09952 83 4YZ -0.03474 -0.00161 -0.08684 -0.06321 -0.00460 84 10 H 1S 0.25501 0.04717 -0.13619 -0.08388 0.18651 85 2S 0.49944 -0.06156 -0.13468 -0.21025 0.36081 86 11 H 1S -0.00172 0.08654 -0.10646 0.14260 -0.08570 87 2S 0.46271 -0.23601 -0.36842 -0.08314 0.02851 88 12 C 1S -0.02842 0.00226 -0.03876 0.01339 -0.01226 89 2S -0.38637 0.04981 -0.80769 0.18441 -0.28410 90 2PX -0.08506 -0.01555 0.11808 0.00219 -0.14965 91 2PY 0.01144 0.04199 -0.04718 -0.04726 0.01397 92 2PZ -0.12653 -0.10807 0.03561 0.16588 -0.03473 93 3S 1.27149 0.36708 2.26679 -1.54506 0.90800 94 3PX 0.42555 -0.06284 -0.04903 -0.38237 0.81357 95 3PY -0.53697 -0.17364 -0.29726 -1.06621 0.24614 96 3PZ 0.56715 0.05595 -0.52311 -0.43849 0.39338 97 4XX 0.01112 -0.00129 0.00534 -0.00963 0.00534 98 4YY -0.01702 -0.01444 -0.07320 -0.01440 -0.01289 99 4ZZ -0.05132 0.02424 -0.05730 0.03742 -0.02315 100 4XY 0.00196 -0.00965 -0.06095 0.00514 0.00674 101 4XZ -0.06470 -0.04604 0.00085 0.04346 -0.09972 102 4YZ -0.03522 0.00045 0.08706 -0.06276 -0.00498 103 13 H 1S 0.00045 0.08599 -0.10674 -0.14464 0.08797 104 2S -0.46078 -0.24628 -0.36917 0.08243 -0.02828 105 14 H 1S -0.25537 0.04112 -0.13670 0.08235 -0.18460 106 2S -0.49638 -0.07269 -0.13609 0.20968 -0.35393 107 15 C 1S -0.00021 -0.02010 -0.00438 -0.00222 0.00753 108 2S -0.58010 -0.14574 0.00604 -0.10266 0.25755 109 2PX -0.10212 0.04323 -0.03944 -0.09961 0.16406 110 2PY -0.09882 -0.07536 -0.06292 0.13996 0.04309 111 2PZ -0.10379 -0.14847 0.11902 -0.07799 -0.13853 112 3S 2.40368 -0.21979 0.11381 -0.94460 -0.57859 113 3PX -0.78527 0.09400 -0.27834 0.81554 -1.00494 114 3PY 0.99607 0.33138 0.36305 -0.64983 -0.10551 115 3PZ 0.95062 0.10045 0.12200 -0.13957 1.11371 116 4XX 0.01286 -0.09080 -0.08399 -0.02745 -0.08823 117 4YY 0.00104 -0.00648 -0.02591 -0.00753 0.00771 118 4ZZ 0.01159 0.04745 0.10295 -0.02322 0.11814 119 4XY -0.00167 -0.10445 0.12490 0.01422 0.00621 120 4XZ 0.01136 -0.03130 0.02067 0.05666 -0.02474 121 4YZ 0.00621 -0.00925 0.02968 0.01882 0.03733 122 16 H 1S 0.19158 -0.04653 0.24766 -0.01390 0.33557 123 2S 0.19811 0.18618 -0.10034 -0.16816 0.34234 124 17 C 1S 0.00074 -0.02008 -0.00437 0.00221 -0.00728 125 2S 0.58639 -0.12971 0.00776 0.10188 -0.25279 126 2PX 0.10289 0.04660 -0.03895 0.09850 -0.16219 127 2PY -0.10115 0.07378 0.06175 0.13996 0.04429 128 2PZ 0.10751 -0.14547 0.11885 0.07968 0.13956 129 3S -2.39967 -0.27624 0.10100 0.94666 0.57385 130 3PX 0.78193 0.10805 -0.27413 -0.81547 0.99689 131 3PY 1.00818 -0.30861 -0.35805 -0.65198 -0.10709 132 3PZ -0.95217 0.07972 0.11901 0.13800 -1.11201 133 4XX -0.01085 -0.09083 -0.08418 0.02708 0.09066 134 4YY -0.00034 -0.00656 -0.02569 0.00722 -0.00810 135 4ZZ -0.01299 0.04735 0.10266 0.02384 -0.11873 136 4XY -0.00409 0.10440 -0.12511 0.01346 0.00851 137 4XZ -0.01088 -0.03176 0.02079 -0.05647 0.02402 138 4YZ 0.00626 0.00933 -0.03012 0.01875 0.03749 139 18 H 1S -0.19128 -0.05106 0.24726 0.01548 -0.33453 140 2S -0.20176 0.18334 -0.10141 0.16574 -0.33792 141 19 O 1S 0.00287 -0.01387 0.01442 -0.00261 0.00387 142 2S -0.06586 -0.27793 0.18776 -0.02761 0.01530 143 2PX 0.02223 -0.42859 0.05442 -0.13992 -0.01902 144 2PY -0.03533 0.16058 0.23439 -0.02780 -0.10426 145 2PZ -0.25328 -0.11531 -0.00036 0.25064 -0.09786 146 3S -0.38784 0.66380 -0.37280 0.15355 -0.47720 147 3PX -0.38983 0.80019 -0.10964 0.45905 -0.17792 148 3PY -0.01064 -0.27328 -0.47975 0.08476 0.16995 149 3PZ 0.59653 0.14134 0.12123 -0.65524 0.22577 150 4XX -0.03460 -0.09354 0.09053 0.00428 0.08561 151 4YY -0.04393 0.04799 0.04875 -0.00822 -0.01369 152 4ZZ 0.01789 -0.19996 0.00767 -0.00395 -0.05388 153 4XY -0.00143 -0.01922 -0.01785 -0.03704 -0.00421 154 4XZ 0.05696 0.05100 -0.05262 0.02262 0.06159 155 4YZ -0.00692 -0.05343 0.06403 0.03502 0.00208 156 20 O 1S -0.00251 -0.01387 0.01447 0.00271 -0.00407 157 2S 0.07292 -0.27591 0.18902 0.02916 -0.01564 158 2PX -0.01257 -0.42861 0.05293 0.14256 0.02236 159 2PY -0.03064 -0.16176 -0.23461 -0.02817 -0.10596 160 2PZ 0.25464 -0.11149 0.00108 -0.24881 0.09528 161 3S 0.36900 0.67091 -0.37484 -0.15599 0.48422 162 3PX 0.37216 0.80693 -0.10458 -0.46388 0.16946 163 3PY -0.01772 0.27393 0.47998 0.08512 0.17087 164 3PZ -0.59806 0.13204 0.11669 0.65241 -0.21780 165 4XX 0.03729 -0.09293 0.09089 -0.00339 -0.08743 166 4YY 0.04240 0.04915 0.04947 0.00800 0.01560 167 4ZZ -0.01267 -0.19994 0.00778 0.00457 0.05253 168 4XY -0.00160 0.01873 0.01831 -0.03729 -0.00490 169 4XZ -0.05807 0.04946 -0.05271 -0.02315 -0.06234 170 4YZ -0.00787 0.05390 -0.06426 0.03406 0.00333 171 21 C 1S -0.00044 0.02226 0.04280 0.00008 0.00045 172 2S -0.00651 0.30677 0.74478 0.00177 0.00732 173 2PX 0.00038 -0.06264 0.28998 0.00097 -0.00009 174 2PY 0.03738 0.00035 0.00005 0.00611 0.05639 175 2PZ -0.00215 0.17966 -0.02064 -0.00039 -0.00014 176 3S 0.01189 -0.52620 -1.16776 -0.00236 -0.02144 177 3PX 0.00619 -0.47137 -0.39046 0.00042 0.00021 178 3PY 0.44425 0.00423 0.00392 -0.60864 0.11057 179 3PZ 0.00925 -0.72199 -0.41009 0.00033 0.00198 180 4XX -0.00031 0.00521 -0.00715 0.00017 0.00046 181 4YY 0.00053 -0.04346 0.11032 0.00036 -0.00060 182 4ZZ -0.00210 0.15075 0.01013 -0.00036 0.00074 183 4XY 0.00373 0.00035 0.00020 -0.01963 0.07458 184 4XZ 0.00279 -0.20510 -0.00395 0.00029 -0.00050 185 4YZ -0.07036 -0.00082 -0.00017 0.06269 0.01605 186 22 H 1S 0.00250 -0.23458 0.17307 0.00101 0.00214 187 2S -0.00126 0.03987 -0.11280 -0.00022 0.00392 188 23 H 1S -0.00103 0.03255 0.16183 0.00012 0.00209 189 2S -0.00819 0.59780 0.58127 0.00050 0.00176 116 117 118 119 120 V V V V V Eigenvalues -- 1.26442 1.36726 1.37043 1.39833 1.42713 1 1 C 1S 0.02395 -0.00363 0.00679 0.03046 -0.00202 2 2S 0.22325 -0.04328 0.01125 0.38672 -0.13189 3 2PX -0.09507 -0.00033 0.04881 -0.08870 0.04704 4 2PY -0.00709 -0.08387 0.06423 0.07751 -0.07208 5 2PZ 0.03937 0.00485 0.04298 0.00862 -0.01735 6 3S -0.73054 -0.18166 0.47933 -1.03277 1.48944 7 3PX 0.48806 0.08947 -0.14602 0.30208 0.17123 8 3PY 0.42337 0.06593 -0.28864 -0.47462 1.33798 9 3PZ -0.58552 -0.42680 -0.45762 -0.25067 0.28438 10 4XX -0.00562 0.08704 -0.09765 0.19273 -0.03590 11 4YY 0.06287 0.05426 -0.02967 -0.05824 0.06562 12 4ZZ -0.04279 -0.15575 0.12304 -0.07156 0.00247 13 4XY -0.00065 0.05339 0.03288 0.04556 -0.05937 14 4XZ -0.07322 -0.05143 0.02004 0.00091 0.01923 15 4YZ 0.00085 0.09176 -0.08144 0.16014 -0.08264 16 2 H 1S 0.24024 -0.08154 -0.12146 0.04781 0.16559 17 2S 0.14683 0.05157 -0.11990 -0.05594 0.34208 18 3 C 1S 0.01196 0.00366 0.02927 -0.00457 0.01972 19 2S 0.34178 0.09414 0.56079 -0.12107 0.40285 20 2PX -0.10625 -0.06394 -0.03647 -0.02800 -0.00526 21 2PY 0.08209 0.00655 -0.01917 -0.06958 -0.02541 22 2PZ 0.10652 0.04011 0.07469 -0.05047 0.09574 23 3S -0.59968 -0.24190 -1.90220 0.02672 -2.71400 24 3PX 0.43455 0.23923 0.59467 -0.28769 0.90107 25 3PY -0.19830 -0.02984 -0.41357 0.40923 -1.27763 26 3PZ -0.41062 -0.18064 -0.25692 0.39561 -1.30385 27 4XX -0.00623 -0.15038 0.12379 -0.19788 0.08306 28 4YY 0.06986 0.04897 0.00175 -0.04158 -0.00138 29 4ZZ -0.05204 0.09781 -0.07936 0.22852 -0.07182 30 4XY 0.00378 -0.04171 0.00531 -0.02400 -0.01587 31 4XZ -0.04815 -0.05882 -0.05431 0.06702 0.00696 32 4YZ -0.01379 -0.05299 0.02934 -0.11110 -0.01212 33 4 H 1S -0.07201 -0.04181 0.01190 0.19067 -0.23737 34 2S -0.22607 -0.14955 -0.04616 0.24027 -0.43940 35 5 C 1S 0.01259 0.00288 -0.02939 -0.00478 -0.01972 36 2S 0.35504 0.07872 -0.56250 -0.12517 -0.40149 37 2PX -0.10643 -0.06292 0.03809 -0.02796 0.00548 38 2PY -0.08201 -0.00713 -0.01999 0.06943 -0.02674 39 2PZ 0.10387 0.03760 -0.07494 -0.05141 -0.09465 40 3S -0.65472 -0.18225 1.91297 0.04396 2.71963 41 3PX 0.43436 0.21791 -0.59763 -0.29309 -0.89750 42 3PY 0.20376 0.01785 -0.40761 -0.41790 -1.27099 43 3PZ -0.39888 -0.16480 0.25678 0.40134 1.29654 44 4XX -0.00554 -0.15319 -0.11894 -0.19882 -0.08051 45 4YY 0.07004 0.04881 -0.00275 -0.04177 0.00150 46 4ZZ -0.05162 0.09969 0.07561 0.22942 0.06938 47 4XY -0.00279 0.04166 0.00411 0.02386 -0.01599 48 4XZ -0.04917 -0.05784 0.05521 0.06704 -0.00723 49 4YZ 0.01376 0.05340 0.02783 0.11096 -0.01280 50 6 H 1S -0.06644 -0.04079 -0.01334 0.19174 0.23449 51 2S -0.21611 -0.14564 0.04632 0.24267 0.43542 52 7 C 1S 0.02390 -0.00355 -0.00677 0.03053 0.00197 53 2S 0.21849 -0.03838 -0.01098 0.38706 0.13121 54 2PX -0.09530 -0.00273 -0.04823 -0.08853 -0.04649 55 2PY 0.00839 0.08571 0.06337 -0.07720 -0.07104 56 2PZ 0.04060 0.00369 -0.04355 0.00886 0.01682 57 3S -0.71604 -0.21538 -0.47624 -1.04135 -1.48836 58 3PX 0.49699 0.09300 0.14021 0.30397 -0.17732 59 3PY -0.42873 -0.06756 -0.29496 0.47649 1.32826 60 3PZ -0.59168 -0.41603 0.47077 -0.24966 -0.27563 61 4XX -0.00511 0.08890 0.09391 0.19387 0.03365 62 4YY 0.06312 0.05565 0.02942 -0.05754 -0.06486 63 4ZZ -0.04367 -0.15864 -0.11890 -0.07319 -0.00110 64 4XY 0.00166 -0.05244 0.03394 -0.04434 -0.05957 65 4XZ -0.07356 -0.05194 -0.01806 0.00060 -0.01804 66 4YZ 0.00045 -0.09372 -0.07805 -0.16074 -0.08128 67 8 H 1S 0.24040 -0.07828 0.12441 0.04849 -0.16389 68 2S 0.14712 0.05600 0.12116 -0.05571 -0.33796 69 9 C 1S -0.04188 -0.03901 0.02469 0.00610 -0.02054 70 2S -0.63580 -0.61678 0.27882 0.38029 -0.23090 71 2PX -0.18419 0.11615 0.14554 0.00736 0.08274 72 2PY -0.01351 0.10202 0.05121 -0.06466 -0.01090 73 2PZ 0.00111 0.20198 0.08103 -0.15503 -0.03333 74 3S 1.86487 1.33390 -1.32874 0.00250 1.58629 75 3PX 0.37240 -0.23958 -0.84880 0.04819 -0.28279 76 3PY 0.54235 0.19101 0.30316 0.18398 -0.32773 77 3PZ -0.11962 -0.41332 -0.28989 -0.02316 -0.36234 78 4XX -0.07903 -0.08775 -0.02489 -0.07026 -0.05128 79 4YY -0.04824 -0.05763 -0.01055 0.00777 0.00261 80 4ZZ 0.01819 0.07372 0.07350 0.09535 0.03665 81 4XY -0.09057 -0.07460 -0.04259 -0.07268 -0.02397 82 4XZ 0.01051 0.00522 0.08804 -0.00055 0.00794 83 4YZ -0.01383 0.13619 0.03970 0.00591 -0.02377 84 10 H 1S -0.16961 -0.21411 0.17451 0.02115 -0.00137 85 2S -0.46799 0.11603 0.39139 0.00693 0.05543 86 11 H 1S -0.15670 -0.17740 -0.06904 -0.03589 -0.13041 87 2S -0.12823 -0.31129 -0.05905 0.14588 -0.17641 88 12 C 1S -0.04216 -0.03947 -0.02395 0.00591 0.02058 89 2S -0.64117 -0.62225 -0.26872 0.37796 0.22961 90 2PX -0.18623 0.11255 -0.14844 0.00538 -0.08377 91 2PY 0.01368 -0.10123 0.05315 0.06534 -0.01110 92 2PZ 0.00009 0.20036 -0.08440 -0.15565 0.03427 93 3S 1.88525 1.35648 1.30058 0.01067 -1.59170 94 3PX 0.38384 -0.21727 0.85413 0.05774 0.28426 95 3PY -0.53527 -0.18141 0.30741 -0.18000 -0.32708 96 3PZ -0.11344 -0.40333 0.30070 -0.01815 0.36420 97 4XX -0.07920 -0.08668 0.02796 -0.06981 0.05284 98 4YY -0.04839 -0.05688 0.01151 0.00793 -0.00256 99 4ZZ 0.01795 0.07108 -0.07630 0.09433 -0.03829 100 4XY 0.09062 0.07361 -0.04561 0.07226 -0.02640 101 4XZ 0.00893 0.00338 -0.08881 -0.00180 -0.00912 102 4YZ 0.01382 -0.13522 0.04247 -0.00561 -0.02411 103 13 H 1S -0.15588 -0.17478 0.07286 -0.03487 0.13059 104 2S -0.12961 -0.30836 0.06477 0.14711 0.17744 105 14 H 1S -0.17244 -0.21865 -0.17033 0.01976 0.00131 106 2S -0.47355 0.10701 -0.39471 0.00244 -0.05633 107 15 C 1S -0.01124 0.01589 -0.02517 -0.02895 -0.00959 108 2S -0.31634 0.37846 -0.35271 -0.51065 -0.36690 109 2PX -0.13105 0.07636 -0.03665 -0.15018 -0.07904 110 2PY 0.11128 0.03943 -0.00266 -0.04242 0.07000 111 2PZ 0.01198 0.17696 -0.08940 -0.10706 0.00345 112 3S 0.35622 -0.56073 1.53241 1.15546 1.28098 113 3PX 0.43880 0.20917 0.41746 -0.05067 -0.35538 114 3PY -0.23876 -0.08935 1.91732 -0.10428 -0.34183 115 3PZ -0.24076 -0.51018 0.14679 0.49869 -0.18262 116 4XX -0.14445 -0.02901 -0.15258 -0.14016 0.01121 117 4YY 0.02604 0.05799 0.01336 -0.09235 -0.00048 118 4ZZ 0.02973 -0.01559 0.08802 0.23019 0.00619 119 4XY 0.12673 -0.24461 -0.03127 0.07502 0.01043 120 4XZ 0.04350 -0.17031 0.07355 0.01129 0.02483 121 4YZ -0.00749 -0.10514 0.00177 -0.09785 -0.09751 122 16 H 1S -0.00292 -0.04268 0.14612 -0.04174 -0.15857 123 2S -0.37492 -0.19147 0.30072 -0.02629 -0.29793 124 17 C 1S -0.01138 0.01630 0.02495 -0.02885 0.00976 125 2S -0.32044 0.38595 0.34663 -0.50831 0.36929 126 2PX -0.13313 0.07718 0.03588 -0.14995 0.07948 127 2PY -0.11084 -0.04020 -0.00245 0.04261 0.06950 128 2PZ 0.01404 0.17895 0.08625 -0.10612 -0.00327 129 3S 0.36559 -0.59648 -1.52432 1.14684 -1.28372 130 3PX 0.45247 0.20428 -0.42191 -0.04990 0.35619 131 3PY 0.23777 0.13528 1.91552 0.11072 -0.34071 132 3PZ -0.25622 -0.51600 -0.13434 0.49924 0.18110 133 4XX -0.14301 -0.02638 0.15389 -0.13842 -0.01165 134 4YY 0.02600 0.05705 -0.01411 -0.09268 0.00102 135 4ZZ 0.02774 -0.01671 -0.08872 0.22903 -0.00599 136 4XY -0.12683 0.24423 -0.03583 -0.07516 0.01182 137 4XZ 0.04365 -0.17168 -0.06981 0.01075 -0.02505 138 4YZ 0.00785 0.10545 -0.00094 0.09652 -0.09715 139 18 H 1S -0.00770 -0.04645 -0.14479 -0.04219 0.15838 140 2S -0.38006 -0.19976 -0.29666 -0.02675 0.29786 141 19 O 1S 0.01453 -0.01711 0.00056 0.01504 0.01360 142 2S 0.05240 -0.18688 -0.11671 0.14145 0.27627 143 2PX -0.21528 0.03421 -0.30975 0.07706 0.05492 144 2PY -0.04683 0.02748 0.10688 -0.03026 0.03000 145 2PZ 0.10909 0.11293 0.23674 -0.01698 -0.19762 146 3S -0.51559 0.72959 0.06966 -0.51022 -0.78291 147 3PX 0.58073 0.03971 0.94751 -0.49560 -0.27301 148 3PY -0.07375 0.03601 -0.50115 0.07254 -0.00130 149 3PZ -0.39379 -0.28811 -0.85692 0.18077 0.65003 150 4XX 0.11719 -0.05517 0.01986 0.19889 0.23068 151 4YY -0.11224 0.05261 0.03104 0.00825 0.05951 152 4ZZ 0.09405 -0.18642 -0.12581 -0.06478 -0.07522 153 4XY -0.06693 0.08911 -0.06725 0.06151 -0.20132 154 4XZ 0.02440 0.00163 0.10014 0.04699 -0.06398 155 4YZ 0.07679 -0.01067 0.05889 0.12285 -0.19159 156 20 O 1S 0.01455 -0.01726 -0.00025 0.01511 -0.01371 157 2S 0.05338 -0.18687 0.12038 0.14294 -0.27675 158 2PX -0.21563 0.04064 0.30906 0.07844 -0.05418 159 2PY 0.04481 -0.02472 0.10772 0.03042 0.02987 160 2PZ 0.11108 0.10791 -0.23906 -0.01649 0.19767 161 3S -0.51246 0.73504 -0.08361 -0.51245 0.78580 162 3PX 0.58462 0.02015 -0.94678 -0.49919 0.27186 163 3PY 0.07816 -0.04852 -0.50174 -0.07362 -0.00150 164 3PZ -0.39803 -0.27029 0.86129 0.18061 -0.65069 165 4XX 0.11569 -0.05550 -0.01931 0.19715 -0.23037 166 4YY -0.11123 0.05088 -0.03243 0.00915 -0.05895 167 4ZZ 0.09530 -0.18470 0.13038 -0.06277 0.07375 168 4XY 0.06687 -0.09050 -0.06481 -0.06290 -0.20190 169 4XZ 0.02349 0.00000 -0.10067 0.04603 0.06396 170 4YZ -0.07751 0.01241 0.05878 -0.12342 -0.19184 171 21 C 1S -0.05235 -0.00938 0.00003 0.02837 -0.00002 172 2S -0.82036 0.04641 -0.00121 0.32663 -0.00009 173 2PX 0.05172 -0.02876 0.00031 0.04111 -0.00015 174 2PY 0.00055 -0.00217 -0.17746 -0.00008 0.06185 175 2PZ 0.00190 0.03012 -0.00059 0.01055 0.00003 176 3S 2.59772 -0.03899 0.00251 -1.08467 -0.00062 177 3PX -0.02749 0.30924 -0.00232 -0.26526 0.00075 178 3PY 0.00225 -0.01123 -0.98894 -0.00081 0.27301 179 3PZ -0.30549 0.12319 -0.00198 0.05742 0.00146 180 4XX -0.08373 0.07474 -0.00104 0.08338 0.00008 181 4YY 0.10590 -0.07446 0.00062 -0.00383 -0.00064 182 4ZZ -0.08512 -0.01017 0.00041 -0.05404 0.00048 183 4XY 0.00085 -0.00091 -0.06749 0.00116 0.36263 184 4XZ 0.07624 -0.12740 0.00132 0.04472 0.00024 185 4YZ 0.00049 0.00154 0.16912 0.00146 0.29065 186 22 H 1S -0.23102 0.05447 -0.00045 0.04463 0.00025 187 2S -0.48237 0.12574 -0.00126 -0.00428 0.00041 188 23 H 1S -0.24455 -0.12870 0.00105 0.14248 -0.00015 189 2S -0.15184 0.08180 -0.00139 0.16889 -0.00061 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43858 1.47573 1.49205 1.52643 1 1 C 1S -0.00105 -0.00065 -0.03043 -0.03131 -0.00596 2 2S 0.01652 -0.20680 -0.35113 -0.64333 0.04378 3 2PX -0.05081 0.19326 0.06843 0.11862 0.00958 4 2PY 0.07912 -0.06653 0.03640 -0.04169 0.03926 5 2PZ -0.00538 -0.09697 0.03679 0.03285 0.02623 6 3S -0.02458 2.13135 1.31094 2.41501 -0.17997 7 3PX 0.27502 -0.16812 0.12355 0.12916 0.23797 8 3PY -0.49714 1.88659 -0.32643 0.76049 -0.54236 9 3PZ -0.39023 0.68982 0.04382 -0.54751 -0.83876 10 4XX 0.14744 -0.02976 -0.03639 0.20742 0.05022 11 4YY -0.04524 0.07756 0.03830 -0.07447 0.00750 12 4ZZ -0.11601 -0.00356 -0.03309 -0.14429 -0.06479 13 4XY -0.01005 -0.03663 -0.25430 0.00159 -0.01551 14 4XZ -0.10680 0.01995 -0.18595 -0.00561 -0.01450 15 4YZ 0.10289 -0.14741 -0.08714 0.09018 -0.06524 16 2 H 1S -0.06514 0.25180 -0.19496 -0.00938 -0.13810 17 2S -0.22052 0.43303 -0.27084 0.00548 -0.19553 18 3 C 1S -0.00005 0.03414 0.00437 0.00390 0.00344 19 2S -0.06329 0.63134 -0.15053 0.09886 -0.13642 20 2PX -0.05040 -0.00910 0.08908 -0.03730 0.19629 21 2PY -0.06102 0.00161 -0.08893 0.00089 -0.07020 22 2PZ -0.08106 0.14293 -0.10316 0.05415 -0.03972 23 3S -0.34272 -4.16067 -0.48021 -1.30265 -0.48594 24 3PX -0.08390 1.46240 -0.14769 0.99471 -0.17892 25 3PY 0.50203 -2.49258 0.52518 0.16818 0.59093 26 3PZ 0.27806 -2.11372 0.13787 -1.13869 0.31718 27 4XX -0.21147 0.12198 0.07579 -0.14198 0.17113 28 4YY 0.00859 -0.00988 0.00911 0.01630 -0.07034 29 4ZZ 0.16899 -0.11169 -0.07940 0.12372 -0.07550 30 4XY 0.03937 -0.01236 0.09491 0.01606 -0.42470 31 4XZ -0.00107 -0.00771 0.00389 0.04670 -0.09852 32 4YZ -0.03363 -0.02834 0.17978 -0.03336 -0.26623 33 4 H 1S 0.17108 -0.44212 0.09059 -0.12928 0.09540 34 2S 0.18751 -0.85235 0.23396 -0.34900 0.29541 35 5 C 1S 0.00003 -0.03420 0.00402 -0.00381 0.00334 36 2S -0.06211 -0.63033 -0.15654 -0.10008 -0.13861 37 2PX -0.05029 0.00748 0.08880 0.03865 0.19647 38 2PY 0.06079 0.00100 0.08891 0.00200 0.07049 39 2PZ -0.08089 -0.14274 -0.10449 -0.05547 -0.03990 40 3S -0.35257 4.16289 -0.44964 1.29342 -0.47557 41 3PX -0.08008 -1.45895 -0.15283 -0.99618 -0.18070 42 3PY -0.49342 -2.49374 -0.55564 0.15833 -0.59995 43 3PZ 0.27209 2.10942 0.14847 1.13989 0.32027 44 4XX -0.21103 -0.12467 0.07263 0.14323 0.16990 45 4YY 0.00839 0.01000 0.00970 -0.01637 -0.07034 46 4ZZ 0.16863 0.11387 -0.07696 -0.12459 -0.07428 47 4XY -0.03964 -0.01292 -0.09527 0.01637 0.42487 48 4XZ -0.00136 0.00808 0.00473 -0.04637 -0.09787 49 4YZ 0.03356 -0.02705 -0.17942 -0.03475 0.26597 50 6 H 1S 0.16961 0.44232 0.09431 0.13034 0.09644 51 2S 0.18487 0.85089 0.24035 0.35224 0.29739 52 7 C 1S -0.00103 0.00094 -0.03084 0.03097 -0.00615 53 2S 0.01605 0.21076 -0.35637 0.63929 0.04206 54 2PX -0.04961 -0.19500 0.06727 -0.11801 0.00930 55 2PY -0.07912 -0.06721 -0.03668 -0.04216 -0.03955 56 2PZ -0.00626 0.09610 0.03779 -0.03257 0.02655 57 3S -0.02099 -2.14230 1.31537 -2.39778 -0.17783 58 3PX 0.27297 0.16710 0.12902 -0.12703 0.23799 59 3PY 0.49285 1.88338 0.33784 0.76077 0.54814 60 3PZ -0.38528 -0.68680 0.03210 0.54830 -0.84094 61 4XX 0.14744 0.03091 -0.03413 -0.20777 0.05008 62 4YY -0.04463 -0.07798 0.03642 0.07431 0.00682 63 4ZZ -0.11644 0.00297 -0.03435 0.14449 -0.06437 64 4XY 0.01087 -0.03846 0.25385 0.00359 0.01522 65 4XZ -0.10691 -0.01911 -0.18639 0.00387 -0.01448 66 4YZ -0.10229 -0.14954 0.08423 0.09108 0.06482 67 8 H 1S -0.06392 -0.24888 -0.19748 0.00768 -0.13912 68 2S -0.21951 -0.43013 -0.27553 -0.00802 -0.19729 69 9 C 1S -0.00878 -0.01125 0.02541 0.00819 -0.01520 70 2S -0.07674 -0.10871 0.31844 0.14848 -0.17900 71 2PX 0.11648 0.14131 0.02086 0.00551 0.05092 72 2PY -0.01529 -0.01026 -0.01871 -0.03517 0.04846 73 2PZ -0.02671 -0.05535 0.00875 -0.10794 -0.09690 74 3S 0.60400 1.66214 -0.91745 0.12466 0.99007 75 3PX -0.27279 -0.75792 -0.16455 -0.29177 -0.03998 76 3PY 0.13971 -0.05357 -0.25682 -0.06509 0.19479 77 3PZ -0.15475 -0.72972 0.07386 -0.12430 -0.26473 78 4XX -0.08149 -0.09599 -0.16016 -0.01327 0.03926 79 4YY -0.02741 -0.00447 0.03106 0.01771 0.05418 80 4ZZ 0.09926 0.10348 0.15531 0.01218 -0.09905 81 4XY -0.16109 -0.02338 -0.28836 0.04400 -0.05602 82 4XZ 0.09832 0.01753 0.20280 -0.06095 0.13150 83 4YZ -0.04310 -0.00987 -0.06542 -0.02627 -0.19122 84 10 H 1S -0.01897 0.13064 0.14775 0.17261 -0.01169 85 2S 0.07858 0.20066 0.12324 0.03287 -0.03395 86 11 H 1S -0.01754 -0.18252 0.06054 0.03281 -0.07686 87 2S -0.28399 -0.32952 0.15805 -0.17183 -0.09946 88 12 C 1S -0.00878 0.01113 0.02555 -0.00782 -0.01518 89 2S -0.07642 0.10813 0.32078 -0.14315 -0.17823 90 2PX 0.11627 -0.14116 0.01875 -0.00563 0.05036 91 2PY 0.01557 -0.00938 0.01893 -0.03467 -0.04823 92 2PZ -0.02717 0.05461 0.00785 0.10731 -0.09729 93 3S 0.60801 -1.65632 -0.93091 -0.13784 0.98625 94 3PX -0.27246 0.75641 -0.15544 0.28998 -0.03551 95 3PY -0.14091 -0.05854 0.25733 -0.06303 -0.19526 96 3PZ -0.15619 0.73103 0.08217 0.12645 -0.26298 97 4XX -0.08200 0.09685 -0.15979 0.01175 0.03915 98 4YY -0.02741 0.00381 0.03132 -0.01706 0.05371 99 4ZZ 0.09977 -0.10376 0.15476 -0.01090 -0.09848 100 4XY 0.16082 -0.02477 0.28699 0.04702 0.05570 101 4XZ 0.09791 -0.01862 0.20154 0.06354 0.13123 102 4YZ 0.04300 -0.00991 0.06542 -0.02447 0.19144 103 13 H 1S -0.01751 0.18214 0.06307 -0.03211 -0.07591 104 2S -0.28504 0.32664 0.16058 0.17448 -0.09854 105 14 H 1S -0.01858 -0.13129 0.14732 -0.17028 -0.01213 106 2S 0.07795 -0.20164 0.11979 -0.03188 -0.03521 107 15 C 1S -0.00395 0.01646 0.00707 0.02107 -0.00053 108 2S 0.00270 -0.09018 0.13862 0.09080 0.17120 109 2PX -0.01503 -0.10512 0.06868 -0.00557 0.07937 110 2PY -0.03582 0.01738 0.00632 -0.03468 -0.05600 111 2PZ 0.01502 -0.08324 0.02741 0.02004 0.02889 112 3S -0.10456 -0.18597 -0.34468 0.74536 -0.30681 113 3PX 0.06293 0.02042 -0.07818 -0.98447 -0.21031 114 3PY 0.12390 -0.27975 0.09690 0.90231 0.22746 115 3PZ -0.07635 0.57279 -0.02682 0.70468 0.03629 116 4XX 0.21450 0.10845 -0.09942 0.02203 -0.07299 117 4YY -0.00103 0.00353 0.03997 0.00401 0.03292 118 4ZZ -0.22778 -0.06574 0.04273 0.06444 0.00132 119 4XY 0.14673 -0.01475 -0.06089 0.00460 0.02554 120 4XZ 0.02650 0.04728 -0.02023 0.01955 -0.01785 121 4YZ 0.19373 0.04420 -0.07869 0.04861 0.01794 122 16 H 1S -0.01430 0.10277 0.05843 0.24404 0.04570 123 2S 0.03211 0.14296 0.06950 0.38133 0.11030 124 17 C 1S -0.00370 -0.01670 0.00725 -0.02113 -0.00043 125 2S 0.00553 0.08629 0.14194 -0.09053 0.17296 126 2PX -0.01532 0.10394 0.06959 0.00625 0.07989 127 2PY 0.03616 0.01807 -0.00601 -0.03394 0.05625 128 2PZ 0.01487 0.08264 0.02892 -0.02031 0.02941 129 3S -0.11886 0.19256 -0.34452 -0.74662 -0.30808 130 3PX 0.06610 -0.02015 -0.08573 0.98217 -0.21420 131 3PY -0.11917 -0.27980 -0.10218 0.90060 -0.22989 132 3PZ -0.07233 -0.57109 -0.02778 -0.70069 0.03700 133 4XX 0.21553 -0.10579 -0.09947 -0.02436 -0.07293 134 4YY -0.00015 -0.00449 0.03963 -0.00390 0.03301 135 4ZZ -0.22943 0.06401 0.04358 -0.06276 0.00143 136 4XY -0.14678 -0.01759 0.06068 0.00357 -0.02551 137 4XZ 0.02628 -0.04638 -0.02074 -0.01968 -0.01811 138 4YZ -0.19425 0.04182 0.07831 0.04873 -0.01812 139 18 H 1S -0.01297 -0.10324 0.05972 -0.24329 0.04644 140 2S 0.03412 -0.14264 0.07012 -0.37879 0.11128 141 19 O 1S -0.00032 -0.00257 -0.00150 0.05084 0.01108 142 2S -0.04460 -0.00042 0.00364 0.82420 0.14737 143 2PX -0.08958 0.12735 -0.00061 -0.02308 -0.03654 144 2PY 0.02611 -0.04635 0.00046 0.19778 0.05566 145 2PZ -0.02767 -0.03055 0.04143 0.07336 -0.00289 146 3S 0.09152 -0.03237 0.00461 -2.37002 -0.47195 147 3PX 0.27773 -0.39481 0.05149 0.04399 0.15499 148 3PY -0.10104 0.14609 -0.02427 -0.79214 -0.27249 149 3PZ 0.14027 0.08204 -0.17838 -0.16163 -0.03671 150 4XX -0.22190 -0.16394 0.08810 0.14019 0.05475 151 4YY 0.02382 -0.01322 -0.04698 0.39716 0.04760 152 4ZZ 0.15724 0.17089 -0.04351 0.10224 0.01048 153 4XY -0.08610 0.11650 0.01312 0.03645 -0.01817 154 4XZ -0.08438 -0.00791 0.03228 -0.15569 -0.03323 155 4YZ -0.12996 0.05649 0.06726 0.03112 0.01964 156 20 O 1S -0.00047 0.00268 -0.00104 -0.05069 0.01124 157 2S -0.04655 0.00063 0.01126 -0.82263 0.15000 158 2PX -0.08814 -0.12822 -0.00140 0.02246 -0.03666 159 2PY -0.02531 -0.04651 -0.00267 0.19760 -0.05626 160 2PZ -0.02695 0.02967 0.04263 -0.07272 -0.00261 161 3S 0.09808 0.03003 -0.01540 2.36420 -0.47916 162 3PX 0.27404 0.39572 0.05448 -0.04260 0.15556 163 3PY 0.09834 0.14712 0.03246 -0.79000 0.27518 164 3PZ 0.13818 -0.07789 -0.18079 0.15883 -0.03697 165 4XX -0.22508 0.16168 0.09001 -0.13828 0.05529 166 4YY 0.02259 0.01338 -0.04293 -0.39769 0.04903 167 4ZZ 0.15997 -0.16840 -0.04357 -0.10219 0.01048 168 4XY 0.08340 0.11758 -0.01303 0.03627 0.01810 169 4XZ -0.08440 0.00730 0.03060 0.15601 -0.03372 170 4YZ 0.12771 0.05823 -0.06723 0.02912 -0.01964 171 21 C 1S 0.00075 0.00010 -0.00743 -0.00003 -0.00681 172 2S 0.01648 0.00103 -0.12552 -0.00077 -0.07180 173 2PX 0.00490 0.00013 -0.01565 0.00020 0.06207 174 2PY -0.00019 0.03461 0.00118 -0.22518 0.00045 175 2PZ 0.03078 0.00027 -0.04165 -0.00058 -0.01868 176 3S 0.03808 -0.00320 0.46567 0.00404 0.66468 177 3PX -0.12285 -0.00181 0.11283 -0.00013 -0.01757 178 3PY -0.00125 0.28174 0.00407 -0.72619 0.00145 179 3PZ -0.34166 -0.00198 0.18403 -0.00024 -0.18289 180 4XX -0.09712 -0.00047 0.02625 0.00007 -0.03331 181 4YY 0.02016 0.00051 0.02674 0.00026 0.04152 182 4ZZ 0.08018 0.00004 -0.04826 -0.00019 -0.00094 183 4XY 0.00224 -0.21241 -0.00028 -0.06653 0.00002 184 4XZ -0.03041 -0.00023 0.04433 0.00030 -0.03234 185 4YZ 0.00243 -0.27162 -0.00102 0.09118 -0.00026 186 22 H 1S -0.02914 0.00000 -0.03793 -0.00046 -0.03850 187 2S -0.02221 -0.00017 -0.00259 -0.00069 -0.13432 188 23 H 1S 0.01689 0.00059 -0.03688 0.00000 -0.03034 189 2S 0.19116 0.00184 -0.23556 -0.00143 -0.00635 126 127 128 129 130 V V V V V Eigenvalues -- 1.58530 1.63998 1.66107 1.72043 1.72342 1 1 C 1S -0.06584 -0.00860 -0.02089 -0.00391 -0.00646 2 2S -0.86212 -0.20977 -0.24296 0.00390 -0.14027 3 2PX 0.12219 0.04576 0.02968 -0.01783 -0.00252 4 2PY 0.03356 -0.05596 -0.01738 0.01681 -0.04980 5 2PZ 0.06076 0.11510 0.03258 0.09012 -0.03375 6 3S 2.89455 -0.71104 0.02284 0.22209 0.43952 7 3PX -0.56300 -0.17930 -0.19321 -0.07386 -0.04553 8 3PY -0.24537 -0.40242 -0.29852 0.31844 0.55746 9 3PZ 0.09317 -0.11896 -0.17483 0.12328 -0.12226 10 4XX 0.01398 -0.21269 -0.09814 0.05748 0.09034 11 4YY -0.05875 0.01269 -0.03542 -0.02430 -0.08392 12 4ZZ -0.01396 0.19985 0.09828 -0.01173 0.00709 13 4XY 0.13066 -0.18277 -0.08508 0.04379 0.02073 14 4XZ 0.08671 0.04647 -0.01109 0.09322 0.04432 15 4YZ 0.10341 -0.21189 -0.09646 -0.16228 0.01315 16 2 H 1S -0.40012 0.01279 -0.04634 0.09601 0.09113 17 2S -0.42898 -0.12511 -0.12513 0.09072 0.24710 18 3 C 1S 0.00885 -0.01623 -0.01322 0.00190 0.00718 19 2S 0.08422 -0.44132 -0.29836 0.04369 0.01857 20 2PX 0.01973 0.14525 0.08148 -0.00719 0.00754 21 2PY -0.03693 -0.02983 0.00637 0.10112 0.02927 22 2PZ -0.01436 -0.03076 -0.01765 -0.01904 -0.04830 23 3S -0.58752 1.82368 1.23602 0.06309 -0.30416 24 3PX 0.22794 -1.09107 -0.48857 0.07099 0.19727 25 3PY 0.24787 0.84969 0.67275 -0.29270 -0.08374 26 3PZ -0.11266 1.25784 0.61260 -0.09138 -0.08372 27 4XX -0.04419 0.24423 0.08675 -0.01909 -0.17712 28 4YY 0.03264 -0.01279 0.00067 -0.09005 0.00044 29 4ZZ 0.04255 -0.20707 -0.08524 0.12195 0.20108 30 4XY -0.07935 -0.01565 0.01723 0.12207 0.03083 31 4XZ -0.03913 0.06657 0.03818 0.04750 0.02474 32 4YZ 0.04086 0.09548 0.05273 0.01488 0.00579 33 4 H 1S -0.02183 0.27190 0.14197 -0.03461 -0.03765 34 2S 0.02032 0.52925 0.24241 -0.09469 -0.04040 35 5 C 1S 0.00886 0.01616 0.01320 0.00186 0.00707 36 2S 0.08513 0.44092 0.29791 0.04298 0.01825 37 2PX 0.01901 -0.14535 -0.08128 -0.00699 0.00689 38 2PY 0.03660 -0.03008 0.00641 -0.10129 -0.02910 39 2PZ -0.01443 0.03094 0.01754 -0.01925 -0.04794 40 3S -0.58713 -1.81920 -1.23550 0.06845 -0.29908 41 3PX 0.23137 1.08798 0.48689 0.06880 0.19522 42 3PY -0.24883 0.85317 0.67316 0.29151 0.08415 43 3PZ -0.11557 -1.25437 -0.61038 -0.08854 -0.08174 44 4XX -0.04576 -0.24348 -0.08644 -0.01889 -0.17780 45 4YY 0.03303 0.01207 -0.00105 -0.09014 0.00061 46 4ZZ 0.04363 0.20688 0.08537 0.12187 0.20196 47 4XY 0.07911 -0.01609 0.01739 -0.12216 -0.03076 48 4XZ -0.03938 -0.06692 -0.03834 0.04728 0.02542 49 4YZ -0.04042 0.09599 0.05286 -0.01524 -0.00571 50 6 H 1S -0.02255 -0.27131 -0.14164 -0.03435 -0.03725 51 2S 0.01913 -0.52871 -0.24167 -0.09407 -0.03997 52 7 C 1S -0.06584 0.00903 0.02096 -0.00380 -0.00652 53 2S -0.86077 0.21512 0.24405 0.00496 -0.14077 54 2PX 0.12178 -0.04634 -0.02973 -0.01765 -0.00299 55 2PY -0.03417 -0.05605 -0.01752 -0.01699 0.04907 56 2PZ 0.06030 -0.11504 -0.03255 0.08991 -0.03243 57 3S 2.89442 0.69235 -0.02623 0.21402 0.44925 58 3PX -0.56240 0.18266 0.19454 -0.07374 -0.04963 59 3PY 0.24804 -0.39947 -0.29677 -0.31591 -0.55687 60 3PZ 0.09206 0.11731 0.17397 0.12124 -0.11758 61 4XX 0.01535 0.21326 0.09824 0.05747 0.09133 62 4YY -0.05887 -0.01205 0.03553 -0.02499 -0.08382 63 4ZZ -0.01546 -0.20074 -0.09866 -0.01108 0.00682 64 4XY -0.13147 -0.18175 -0.08498 -0.04382 -0.01976 65 4XZ 0.08580 -0.04674 0.01091 0.09274 0.04601 66 4YZ -0.10481 -0.21108 -0.09635 0.16250 -0.01419 67 8 H 1S -0.40098 -0.01086 0.04643 0.09639 0.09007 68 2S -0.42955 0.12559 0.12461 0.09034 0.24585 69 9 C 1S 0.02589 0.00185 0.01449 0.01460 0.00508 70 2S 0.33585 0.04518 0.26347 0.19084 0.08811 71 2PX -0.02983 -0.06836 -0.04879 -0.04073 0.00023 72 2PY 0.00498 -0.00539 0.01052 0.06990 -0.04957 73 2PZ 0.05336 -0.03447 -0.02618 -0.06432 -0.05715 74 3S -1.44736 -0.34478 -0.94824 -0.57379 -0.15889 75 3PX -0.01917 0.41050 0.21848 0.11585 -0.01539 76 3PY -0.48966 0.21039 0.30358 -0.12896 0.17785 77 3PZ 0.32186 0.19993 0.00188 0.24966 0.19697 78 4XX -0.03731 0.00062 -0.00073 -0.04705 0.08723 79 4YY 0.01442 -0.02194 -0.01103 0.20182 0.04944 80 4ZZ 0.03393 0.01312 0.01311 -0.13415 -0.14569 81 4XY 0.00066 -0.05655 -0.00557 -0.04748 0.05496 82 4XZ -0.12926 -0.07477 -0.04108 0.07534 0.04361 83 4YZ 0.21138 0.06604 0.05989 0.10568 -0.20488 84 10 H 1S 0.13063 -0.04151 0.04361 0.00944 0.03567 85 2S 0.13268 -0.18538 -0.02302 -0.03863 -0.05419 86 11 H 1S 0.10240 0.11367 0.05507 0.01368 0.05625 87 2S 0.14309 0.01861 0.21797 0.17118 -0.08233 88 12 C 1S 0.02592 -0.00205 -0.01449 0.01487 0.00401 89 2S 0.33638 -0.04702 -0.26294 0.19409 0.07417 90 2PX -0.02957 0.06849 0.04867 -0.04063 0.00044 91 2PY -0.00512 -0.00584 0.01059 -0.06999 0.05022 92 2PZ 0.05331 0.03401 0.02577 -0.06453 -0.05578 93 3S -1.45094 0.35408 0.94911 -0.58738 -0.11031 94 3PX -0.02295 -0.40959 -0.21814 0.11453 -0.01555 95 3PY 0.48917 0.20858 0.30309 0.12641 -0.16949 96 3PZ 0.32362 -0.20252 -0.00169 0.25198 0.19067 97 4XX -0.03682 -0.00071 0.00053 -0.04703 0.08694 98 4YY 0.01514 0.02167 0.01090 0.20208 0.04910 99 4ZZ 0.03276 -0.01278 -0.01280 -0.13430 -0.14550 100 4XY -0.00087 -0.05657 -0.00543 0.04721 -0.05488 101 4XZ -0.12897 0.07543 0.04128 0.07543 0.04491 102 4YZ -0.21135 0.06662 0.06046 -0.10540 0.20669 103 13 H 1S 0.10218 -0.11456 -0.05502 0.01446 0.05247 104 2S 0.14225 -0.01859 -0.21771 0.17178 -0.08499 105 14 H 1S 0.13115 0.04045 -0.04350 0.01037 0.03195 106 2S 0.13338 0.18474 0.02267 -0.03786 -0.05665 107 15 C 1S 0.04041 0.01133 0.02957 0.00037 0.02793 108 2S 0.60532 0.17592 0.43596 -0.06724 0.23448 109 2PX 0.05310 0.02964 0.15255 -0.04987 0.06274 110 2PY -0.06535 0.02323 -0.05177 -0.06856 -0.02119 111 2PZ 0.00394 -0.03334 0.03686 -0.00745 0.05340 112 3S -1.95579 -0.15319 -1.50944 0.28318 -1.26927 113 3PX 0.01871 -0.73222 -0.45037 -0.16518 0.11138 114 3PY 0.79871 -0.35979 0.20438 0.05122 0.69940 115 3PZ -0.31192 0.42145 0.50598 0.12531 0.00060 116 4XX -0.13184 -0.09445 0.25045 0.00386 0.10721 117 4YY 0.01123 0.00614 0.00837 0.02783 -0.02728 118 4ZZ 0.14621 0.11801 -0.23939 -0.03046 -0.03046 119 4XY 0.13928 0.06883 -0.04748 -0.04577 -0.33855 120 4XZ 0.05068 -0.04555 0.06136 -0.05752 0.19625 121 4YZ 0.14728 0.01655 0.15448 0.03975 -0.13496 122 16 H 1S 0.16799 0.00331 0.34722 -0.04297 0.33451 123 2S 0.33055 0.10250 0.44403 0.02695 0.30843 124 17 C 1S 0.04039 -0.01162 -0.02973 0.00034 0.02817 125 2S 0.60337 -0.17942 -0.43850 -0.06813 0.23614 126 2PX 0.05226 -0.03006 -0.15242 -0.05006 0.06259 127 2PY 0.06572 0.02321 -0.05120 0.06845 0.02251 128 2PZ 0.00417 0.03315 -0.03689 -0.00730 0.05262 129 3S -1.94758 0.16579 1.51318 0.28609 -1.27850 130 3PX 0.02145 0.73201 0.44832 -0.16530 0.11154 131 3PY -0.80328 -0.35425 0.20386 -0.05072 -0.70224 132 3PZ -0.31397 -0.42053 -0.50349 0.12450 0.00569 133 4XX -0.13116 0.09432 -0.25037 0.00375 0.10759 134 4YY 0.01189 -0.00604 -0.00907 0.02790 -0.02846 135 4ZZ 0.14500 -0.11840 0.23982 -0.03031 -0.02917 136 4XY -0.13892 0.06823 -0.04785 0.04567 0.33919 137 4XZ 0.05061 0.04482 -0.06144 -0.05749 0.19805 138 4YZ -0.14705 0.01639 0.15504 -0.03962 0.13436 139 18 H 1S 0.16754 -0.00512 -0.34636 -0.04343 0.33646 140 2S 0.33026 -0.10443 -0.44318 0.02591 0.31299 141 19 O 1S -0.00353 0.02183 -0.00009 0.05701 -0.00404 142 2S -0.06712 0.45340 -0.05896 0.81971 0.00336 143 2PX -0.13693 0.07098 -0.01644 -0.03131 -0.04589 144 2PY 0.08811 0.04986 -0.02753 0.07962 0.15100 145 2PZ 0.12569 -0.05613 0.10631 -0.02338 0.07637 146 3S 0.23664 -1.24295 0.04311 -2.74881 0.11402 147 3PX 0.73388 -0.36191 0.25233 0.20269 0.55125 148 3PY -0.42435 -0.15207 -0.05211 -0.90020 -0.47512 149 3PZ -0.60155 0.23106 -0.24454 -0.12896 -0.58274 150 4XX 0.00902 0.20380 -0.27229 0.14517 0.00225 151 4YY -0.08110 0.11512 0.10947 0.38168 -0.10606 152 4ZZ 0.02436 -0.01754 0.14027 0.03746 0.11386 153 4XY 0.01828 0.13375 -0.15339 0.04031 -0.14807 154 4XZ 0.05817 -0.11030 -0.01012 -0.24363 0.08252 155 4YZ 0.08772 0.15794 -0.29311 0.07065 0.05568 156 20 O 1S -0.00352 -0.02175 0.00015 0.05705 -0.00406 157 2S -0.06674 -0.45230 0.05895 0.82068 0.00199 158 2PX -0.13672 -0.07051 0.01638 -0.03124 -0.04619 159 2PY -0.08860 0.05035 -0.02740 -0.07983 -0.15035 160 2PZ 0.12587 0.05542 -0.10635 -0.02370 0.07628 161 3S 0.23599 1.23874 -0.04422 -2.75118 0.11582 162 3PX 0.73384 0.35824 -0.25344 0.20190 0.55314 163 3PY 0.42667 -0.15337 -0.05229 0.90099 0.47579 164 3PZ -0.60155 -0.22719 0.24521 -0.12665 -0.58406 165 4XX 0.00849 -0.20407 0.27268 0.14587 0.00097 166 4YY -0.08071 -0.11460 -0.10906 0.38205 -0.10487 167 4ZZ 0.02471 0.01800 -0.14082 0.03699 0.11336 168 4XY -0.01811 0.13329 -0.15277 -0.04035 0.14794 169 4XZ 0.05811 0.10963 0.01009 -0.24394 0.08469 170 4YZ -0.08770 0.15813 -0.29320 -0.07048 -0.05502 171 21 C 1S -0.04133 0.00009 0.00009 -0.05865 -0.02122 172 2S -0.49554 0.00092 0.00095 -0.84696 -0.19625 173 2PX -0.01190 0.00002 0.00007 0.02796 0.06430 174 2PY 0.00026 -0.01590 -0.08181 0.00012 0.00052 175 2PZ -0.09204 0.00035 -0.00024 -0.07575 -0.13614 176 3S 2.24398 -0.00489 -0.00275 3.64402 1.56208 177 3PX 0.26800 -0.00093 -0.00040 0.60475 0.20130 178 3PY 0.00041 0.03193 -0.23353 0.00073 0.00093 179 3PZ -0.11181 -0.00058 0.00057 -0.76014 0.11902 180 4XX 0.02134 -0.00005 -0.00012 -0.00285 -0.11159 181 4YY 0.05038 -0.00015 0.00005 0.14369 0.22963 182 4ZZ -0.03713 0.00012 0.00012 -0.11908 -0.09347 183 4XY 0.00026 -0.03201 0.10540 0.00012 0.00006 184 4XZ 0.01875 -0.00041 0.00034 -0.19566 0.22875 185 4YZ 0.00028 -0.04282 0.13029 0.00029 0.00024 186 22 H 1S -0.23764 0.00047 0.00028 -0.28611 -0.09475 187 2S -0.17553 0.00011 0.00030 -0.31671 -0.09917 188 23 H 1S -0.18734 0.00061 0.00029 -0.12838 -0.17599 189 2S -0.33594 0.00107 -0.00002 -0.33501 -0.26990 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77089 1.79420 1.86000 1.87776 1 1 C 1S 0.02085 0.00892 0.01299 0.01186 -0.00037 2 2S 0.22014 -0.15032 0.42432 -0.02843 -0.08333 3 2PX 0.01598 0.10621 -0.05180 0.04966 0.09412 4 2PY -0.08048 -0.01595 0.17785 -0.05509 0.03036 5 2PZ -0.16292 -0.15993 0.08002 -0.02017 -0.01156 6 3S -1.44544 0.16691 -1.03749 -0.81240 0.31751 7 3PX 0.50915 -0.19404 -0.05006 -0.53064 -0.05293 8 3PY -0.00622 0.12594 -1.23871 -0.64715 0.40813 9 3PZ -0.64848 0.22943 -0.24909 -0.03814 -0.19174 10 4XX -0.03805 0.00125 0.03394 -0.00830 0.15811 11 4YY 0.00292 -0.04634 -0.07286 0.12203 -0.11952 12 4ZZ -0.01896 0.08895 0.02357 -0.11699 0.04298 13 4XY 0.13053 -0.12464 -0.15818 -0.36410 -0.14572 14 4XZ -0.14265 -0.03990 0.02000 -0.33729 0.15194 15 4YZ -0.03602 0.24409 -0.05991 0.09713 -0.01600 16 2 H 1S 0.13407 0.06202 -0.09470 -0.13528 0.14667 17 2S 0.17608 -0.00747 -0.38257 -0.15367 0.13533 18 3 C 1S 0.01120 0.00159 0.00062 -0.01337 0.01750 19 2S 0.12776 -0.04650 0.03937 0.04252 0.13330 20 2PX 0.01427 -0.02872 -0.06887 -0.03690 -0.03997 21 2PY 0.00422 -0.10432 -0.07998 0.10461 0.01457 22 2PZ -0.01975 0.05746 0.12899 0.06143 0.05675 23 3S -0.66174 0.03966 0.15076 1.13087 -0.50568 24 3PX 0.42060 0.01358 -0.38195 -0.36695 0.21092 25 3PY -0.18692 0.12175 0.48977 0.44232 0.04538 26 3PZ -0.38482 -0.04921 0.43170 0.50824 -0.15329 27 4XX -0.00107 -0.02468 0.17801 0.03256 0.00910 28 4YY -0.01867 0.17846 -0.02434 0.12601 0.01526 29 4ZZ -0.02577 -0.15698 -0.15878 -0.13240 0.04005 30 4XY 0.03982 -0.08719 -0.00685 0.05156 -0.00801 31 4XZ -0.11715 0.10995 0.22752 0.01494 0.28916 32 4YZ 0.01834 0.01934 -0.20088 0.00386 -0.00588 33 4 H 1S -0.12013 0.05723 0.39214 0.13915 0.12443 34 2S -0.17608 0.00084 0.22452 0.18646 -0.04360 35 5 C 1S -0.01126 0.00164 0.00062 0.01329 0.01744 36 2S -0.12879 -0.04577 0.03922 -0.04283 0.13418 37 2PX -0.01447 -0.02882 -0.06880 0.03649 -0.04059 38 2PY 0.00510 0.10435 0.07928 0.10516 -0.01611 39 2PZ 0.02033 0.05760 0.12897 -0.06116 0.05701 40 3S 0.66416 0.03470 0.15362 -1.12728 -0.49729 41 3PX -0.42357 0.01618 -0.38311 0.36503 0.20767 42 3PY -0.19185 -0.11844 -0.49172 0.44251 -0.04813 43 3PZ 0.38719 -0.05271 0.43281 -0.50536 -0.14586 44 4XX 0.00283 -0.02491 0.17813 -0.03273 0.00790 45 4YY 0.01903 0.17841 -0.02473 -0.12611 0.01589 46 4ZZ 0.02356 -0.15695 -0.15856 0.13253 0.04073 47 4XY 0.04001 0.08675 0.00642 0.05170 0.00608 48 4XZ 0.11829 0.10967 0.22724 -0.01497 0.29047 49 4YZ 0.01855 -0.01875 0.20136 0.00336 0.00642 50 6 H 1S 0.12193 0.05620 0.39262 -0.13898 0.12702 51 2S 0.17775 -0.00070 0.22518 -0.18574 -0.04158 52 7 C 1S -0.02080 0.00896 0.01310 -0.01183 -0.00016 53 2S -0.21901 -0.15002 0.42578 0.03067 -0.08172 54 2PX -0.01511 0.10639 -0.05169 -0.04982 0.09434 55 2PY -0.08193 0.01656 -0.17818 -0.05571 -0.03217 56 2PZ 0.16337 -0.16049 0.07947 0.02018 -0.01084 57 3S 1.44108 0.16594 -1.04549 0.80604 0.31154 58 3PX -0.50965 -0.19305 -0.05118 0.53088 -0.05615 59 3PY 0.00141 -0.12774 1.24153 -0.64050 -0.39986 60 3PZ 0.64754 0.22877 -0.24843 0.03680 -0.19222 61 4XX 0.03767 0.00094 0.03385 0.00856 0.15846 62 4YY -0.00231 -0.04515 -0.07307 -0.12210 -0.12262 63 4ZZ 0.01897 0.08805 0.02374 0.11643 0.04571 64 4XY 0.13162 0.12395 0.15914 -0.36454 0.14627 65 4XZ 0.14283 -0.03948 0.01899 0.33655 0.15197 66 4YZ -0.03596 -0.24419 0.06026 0.09689 0.01386 67 8 H 1S -0.13531 0.06217 -0.09409 0.13414 0.14801 68 2S -0.17996 -0.00680 -0.38274 0.15169 0.13175 69 9 C 1S 0.12516 -0.00049 -0.00860 0.00077 -0.00937 70 2S 1.56328 0.13977 -0.14329 0.27104 -0.08283 71 2PX -0.02248 -0.05744 -0.02227 0.12186 -0.03218 72 2PY 0.06232 -0.22730 0.09234 -0.00424 -0.05475 73 2PZ -0.12537 0.09399 0.00639 -0.05129 0.02284 74 3S -5.60325 -0.21870 0.62466 -0.87180 0.28615 75 3PX 0.03190 0.14668 0.25794 -1.41122 0.03133 76 3PY 0.91567 0.24790 -0.20234 0.29174 0.23180 77 3PZ 0.81666 0.02713 -0.31885 0.05385 0.08236 78 4XX 0.02023 0.10457 -0.10951 0.22983 0.11889 79 4YY -0.02810 -0.30947 -0.03483 0.03661 -0.07213 80 4ZZ 0.05605 0.19184 0.16385 -0.28305 -0.03560 81 4XY 0.00590 0.11475 -0.01458 0.26239 -0.02152 82 4XZ -0.08617 -0.09055 -0.10665 0.01404 0.06864 83 4YZ 0.13368 -0.16814 0.36355 -0.03375 -0.02401 84 10 H 1S 0.40193 -0.04145 -0.08524 0.20820 -0.09558 85 2S 0.24823 -0.03901 -0.04072 0.39243 -0.06923 86 11 H 1S 0.43461 0.00211 -0.03725 -0.28159 -0.05627 87 2S 0.33081 0.06360 0.15417 -0.34519 -0.13292 88 12 C 1S -0.12520 -0.00021 -0.00832 -0.00080 -0.00993 89 2S -1.56424 0.14315 -0.13988 -0.27189 -0.08780 90 2PX 0.02239 -0.05772 -0.02198 -0.12190 -0.03156 91 2PY 0.06173 0.22707 -0.09272 -0.00502 0.05422 92 2PZ 0.12600 0.09408 0.00628 0.05122 0.02310 93 3S 5.60669 -0.23005 0.61064 0.87429 0.30164 94 3PX -0.03058 0.14706 0.25478 1.41173 0.02730 95 3PY 0.91850 -0.25042 0.20102 0.29400 -0.22781 96 3PZ -0.81754 0.02814 -0.31717 -0.05462 0.08062 97 4XX -0.02146 0.10457 -0.10880 -0.23128 0.11887 98 4YY 0.02714 -0.31014 -0.03398 -0.03600 -0.07180 99 4ZZ -0.05371 0.19253 0.16240 0.28380 -0.03582 100 4XY 0.00567 -0.11420 0.01408 0.26273 0.02257 101 4XZ 0.08566 -0.09090 -0.10742 -0.01511 0.07031 102 4YZ 0.13131 0.16691 -0.36475 -0.03583 0.02267 103 13 H 1S -0.43485 0.00320 -0.03718 0.28154 -0.05828 104 2S -0.33011 0.06417 0.15444 0.34576 -0.13549 105 14 H 1S -0.40267 -0.04054 -0.08394 -0.20789 -0.09743 106 2S -0.24792 -0.03860 -0.03869 -0.39215 -0.06858 107 15 C 1S -0.00445 0.00094 -0.01067 -0.00721 0.01803 108 2S 0.02472 -0.01267 -0.11772 -0.15404 0.34114 109 2PX 0.00449 0.01376 0.05837 -0.03466 -0.09213 110 2PY 0.10168 -0.04666 -0.07248 -0.00381 -0.02344 111 2PZ 0.09568 -0.03159 -0.02703 -0.01816 0.19975 112 3S -0.55501 0.02148 -0.05238 0.62467 -0.44008 113 3PX 0.66855 -0.11412 -0.00249 -0.02006 0.01578 114 3PY -0.84053 0.08861 0.40074 0.30311 0.00262 115 3PZ -0.98789 0.07925 0.28908 0.09482 -0.19229 116 4XX 0.00568 0.01892 0.05993 -0.01958 -0.08709 117 4YY 0.01901 0.02049 -0.03285 0.00520 0.11475 118 4ZZ -0.08178 -0.05410 -0.03550 0.03338 -0.06585 119 4XY 0.10768 -0.07364 -0.16410 -0.04419 0.20094 120 4XZ -0.09210 -0.07367 0.11054 -0.00080 0.13473 121 4YZ -0.02531 0.05055 0.00501 -0.04252 -0.26241 122 16 H 1S -0.17868 -0.04748 0.09579 -0.00904 0.25645 123 2S -0.60245 0.10284 0.21769 0.01314 -0.08559 124 17 C 1S 0.00431 0.00094 -0.01067 0.00721 0.01825 125 2S -0.02535 -0.01299 -0.11667 0.15407 0.34304 126 2PX -0.00511 0.01364 0.05858 0.03443 -0.09239 127 2PY 0.10186 0.04655 0.07235 -0.00403 0.01822 128 2PZ -0.09589 -0.03126 -0.02676 0.01805 0.19941 129 3S 0.56328 0.02067 -0.05921 -0.62417 -0.43247 130 3PX -0.66945 -0.11244 0.00124 0.02089 0.02033 131 3PY -0.83682 -0.08644 -0.39724 0.30326 -0.01953 132 3PZ 0.98568 0.07628 0.28535 -0.09351 -0.17685 133 4XX -0.00663 0.01901 0.05959 0.02020 -0.08656 134 4YY -0.01804 0.02060 -0.03287 -0.00588 0.11507 135 4ZZ 0.08118 -0.05437 -0.03534 -0.03286 -0.06607 136 4XY 0.10464 0.07366 0.16379 -0.04395 -0.20804 137 4XZ 0.09059 -0.07377 0.11058 0.00169 0.13956 138 4YZ -0.02681 -0.05044 -0.00504 -0.04281 0.26461 139 18 H 1S 0.17588 -0.04791 0.09524 0.00895 0.26508 140 2S 0.59982 0.10091 0.21609 -0.01291 -0.07837 141 19 O 1S -0.01598 0.02680 0.00085 0.00055 0.00957 142 2S -0.12649 0.43353 0.07420 -0.01494 0.12870 143 2PX 0.01738 -0.01195 0.05339 -0.01823 -0.00284 144 2PY 0.04151 0.02606 0.06291 -0.00826 0.03630 145 2PZ 0.02534 -0.01222 0.00899 -0.00860 0.05795 146 3S 0.74564 -1.41961 -0.11183 -0.04216 -0.41888 147 3PX 0.01815 0.14196 0.02389 -0.00797 -0.09527 148 3PY 0.13222 -0.46490 -0.19637 -0.00593 -0.16153 149 3PZ 0.02834 -0.09752 -0.16016 0.01390 -0.09652 150 4XX 0.00919 0.05151 -0.01719 0.02100 0.00635 151 4YY -0.15933 0.18219 -0.03346 -0.01712 0.09098 152 4ZZ 0.01546 0.03335 0.09941 -0.00408 0.00559 153 4XY -0.02237 0.06682 -0.12533 -0.00436 -0.02479 154 4XZ -0.13725 -0.16386 -0.01457 0.05724 0.08181 155 4YZ 0.05528 0.10444 -0.00230 -0.01791 -0.15839 156 20 O 1S 0.01612 0.02679 0.00073 -0.00052 0.00920 157 2S 0.12863 0.43375 0.07218 0.01588 0.12999 158 2PX -0.01701 -0.01189 0.05315 0.01845 -0.00166 159 2PY 0.04271 -0.02618 -0.06260 -0.00854 -0.04161 160 2PZ -0.02591 -0.01217 0.00886 0.00863 0.05893 161 3S -0.75331 -1.41902 -0.10545 0.04013 -0.41575 162 3PX -0.02193 0.14183 0.02493 0.00808 -0.09866 163 3PY 0.13036 0.46503 0.19500 -0.00489 0.16874 164 3PZ -0.02399 -0.09664 -0.16005 -0.01442 -0.09914 165 4XX -0.00934 0.05167 -0.01739 -0.02080 0.00807 166 4YY 0.16115 0.18245 -0.03426 0.01743 0.07994 167 4ZZ -0.01593 0.03294 0.09907 0.00408 0.01370 168 4XY -0.02438 -0.06683 0.12542 -0.00418 0.03082 169 4XZ 0.13580 -0.16431 -0.01400 -0.05717 0.07710 170 4YZ 0.05609 -0.10430 0.00205 -0.01785 0.15519 171 21 C 1S -0.00004 -0.02976 0.01144 -0.00002 -0.03003 172 2S -0.00103 -0.45853 0.14928 0.00016 -0.28420 173 2PX -0.00052 -0.02924 0.09249 0.00033 -0.07294 174 2PY 0.10019 0.00007 -0.00019 -0.01881 -0.00087 175 2PZ 0.00060 -0.06266 -0.04586 -0.00007 0.02807 176 3S -0.00016 1.87743 0.00980 0.00117 0.93688 177 3PX 0.00062 0.31878 -0.12443 -0.00034 0.72030 178 3PY 0.19501 0.00036 -0.00050 0.01342 -0.00260 179 3PZ -0.00184 -0.47272 0.13227 -0.00025 0.04967 180 4XX 0.00076 0.03870 -0.15269 -0.00021 0.15383 181 4YY -0.00107 0.15491 0.19585 0.00023 -0.39621 182 4ZZ 0.00029 -0.17935 -0.04505 -0.00006 0.27173 183 4XY 0.09822 -0.00009 -0.00028 -0.03606 -0.00009 184 4XZ -0.00132 -0.05064 0.12547 0.00000 -0.20789 185 4YZ 0.00617 0.00039 0.00031 -0.06810 0.00048 186 22 H 1S -0.00033 -0.20695 0.07902 -0.00001 -0.03294 187 2S 0.00015 -0.13994 -0.06797 -0.00044 0.20140 188 23 H 1S 0.00041 -0.00302 0.01384 -0.00011 -0.36257 189 2S 0.00079 -0.09478 -0.09031 -0.00007 -0.08643 136 137 138 139 140 V V V V V Eigenvalues -- 1.88533 1.90842 1.93559 1.95825 1.97651 1 1 C 1S 0.00091 0.00100 -0.00061 0.02231 0.00865 2 2S -0.06332 -0.07260 -0.00638 0.45011 -0.13906 3 2PX 0.02154 -0.03840 0.06503 -0.04116 -0.10358 4 2PY 0.06523 0.02143 0.06602 0.15559 -0.12404 5 2PZ 0.04852 -0.01929 0.02304 0.05157 0.06881 6 3S 0.27603 -0.15030 0.12203 -1.30990 -0.15018 7 3PX -0.18366 -0.20298 -0.21548 -0.07890 0.24056 8 3PY -0.20836 -0.34752 0.24334 0.17007 0.18017 9 3PZ 0.03128 0.25753 -0.17311 -0.13914 -0.15975 10 4XX 0.04026 -0.09770 0.18919 0.25823 -0.00270 11 4YY -0.10706 -0.03209 -0.08121 -0.40755 -0.00088 12 4ZZ 0.08232 0.07972 -0.04366 0.09305 -0.03633 13 4XY -0.05072 -0.01384 -0.29714 -0.13360 0.06829 14 4XZ 0.01538 -0.25175 0.00987 -0.11337 -0.09566 15 4YZ 0.07458 0.04777 -0.10501 -0.15533 -0.06219 16 2 H 1S 0.00931 -0.00858 0.16342 0.51595 0.04456 17 2S -0.14878 -0.14799 0.07161 0.05853 0.06138 18 3 C 1S -0.00104 -0.01178 0.00812 -0.00048 0.00030 19 2S 0.06375 -0.33219 -0.05948 -0.08458 0.04754 20 2PX -0.03159 0.04519 -0.02083 0.05767 -0.01298 21 2PY 0.04241 -0.09977 -0.08263 0.17788 0.07853 22 2PZ 0.02428 0.00535 0.01642 -0.05943 0.00784 23 3S 0.13005 0.61450 -0.13953 0.17542 -0.20708 24 3PX -0.05276 -0.25576 0.13999 -0.34445 -0.05897 25 3PY 0.15287 0.10446 0.10948 -0.33977 -0.05192 26 3PZ 0.19090 0.21715 -0.02490 0.46704 0.09445 27 4XX -0.01870 -0.15601 -0.20951 -0.10425 0.10873 28 4YY 0.03043 0.21604 0.20222 0.01483 -0.12236 29 4ZZ 0.00206 -0.14538 0.00740 0.05803 -0.00006 30 4XY 0.03801 0.03304 -0.01497 0.09653 0.19747 31 4XZ 0.06647 -0.12680 0.14331 0.11736 -0.04735 32 4YZ -0.01205 -0.14853 -0.00691 -0.15019 -0.20455 33 4 H 1S 0.10421 0.10307 0.07297 0.19752 0.17457 34 2S 0.07021 0.01835 -0.02630 0.03612 0.02121 35 5 C 1S 0.00154 -0.01171 0.00805 0.00061 0.00030 36 2S -0.05870 -0.33208 -0.05901 0.08603 0.04614 37 2PX 0.03034 0.04519 -0.02123 -0.05808 -0.01262 38 2PY 0.04144 0.10094 0.08173 0.17725 -0.07708 39 2PZ -0.02290 0.00540 0.01682 0.05976 0.00749 40 3S -0.14561 0.60979 -0.13467 -0.18017 -0.20277 41 3PX 0.05937 -0.25287 0.13754 0.34632 -0.05869 42 3PY 0.15330 -0.10582 -0.10791 -0.33924 0.04767 43 3PZ -0.19588 0.21350 -0.02205 -0.46879 0.09386 44 4XX 0.01948 -0.15517 -0.21017 0.10487 0.11016 45 4YY -0.03094 0.21522 0.20259 -0.01477 -0.12377 46 4ZZ -0.00037 -0.14532 0.00762 -0.05834 0.00009 47 4XY 0.03818 -0.03224 0.01286 0.09666 -0.19574 48 4XZ -0.05862 -0.12792 0.14380 -0.11504 -0.04924 49 4YZ -0.01264 0.14888 0.00717 -0.15049 0.20362 50 6 H 1S -0.10161 0.10185 0.07371 -0.19664 0.17307 51 2S -0.07166 0.01783 -0.02603 -0.03628 0.02185 52 7 C 1S -0.00094 0.00079 -0.00033 -0.02246 0.00843 53 2S 0.06120 -0.07550 -0.00186 -0.45112 -0.14273 54 2PX -0.01928 -0.03803 0.06459 0.04135 -0.10323 55 2PY 0.06476 -0.02054 -0.06646 0.15526 0.12469 56 2PZ -0.04877 -0.01930 0.02223 -0.05129 0.06943 57 3S -0.26567 -0.14123 0.10631 1.31613 -0.14082 58 3PX 0.18368 -0.20360 -0.21365 0.07930 0.23861 59 3PY -0.22134 0.34536 -0.24043 0.16850 -0.17657 60 3PZ -0.03615 0.25634 -0.17209 0.13907 -0.16059 61 4XX -0.03594 -0.09739 0.18740 -0.25707 -0.00316 62 4YY 0.10369 -0.02973 -0.08249 0.40707 0.00222 63 4ZZ -0.08110 0.07737 -0.04122 -0.09350 -0.03829 64 4XY -0.04783 0.01432 0.29678 -0.13427 -0.06896 65 4XZ -0.01059 -0.25124 0.00989 0.11418 -0.09533 66 4YZ 0.07549 -0.04700 0.10327 -0.15386 0.06303 67 8 H 1S -0.00538 -0.01088 0.16516 -0.51577 0.04016 68 2S 0.15318 -0.14772 0.07211 -0.05849 0.06024 69 9 C 1S -0.03199 0.03083 0.00555 0.00098 -0.01534 70 2S -0.31354 -0.12610 -0.24166 -0.14925 -0.04516 71 2PX 0.02947 -0.00904 0.06666 0.02861 0.05592 72 2PY 0.00184 0.08269 0.11071 0.10591 -0.05511 73 2PZ 0.01201 0.02280 0.01459 0.08733 0.03098 74 3S 1.12682 -0.29059 0.19216 0.13609 0.32731 75 3PX -0.19186 0.10207 0.10064 -0.51969 -0.16901 76 3PY -0.20767 -0.29392 -0.05719 -0.60663 0.17922 77 3PZ -0.16830 -0.03801 0.05557 -0.36470 -0.12768 78 4XX 0.01292 -0.29084 -0.00250 -0.07580 0.10301 79 4YY 0.02234 0.32163 0.22703 -0.05316 -0.18753 80 4ZZ -0.03346 -0.02353 -0.18619 0.16096 0.08950 81 4XY -0.02037 0.13122 0.24687 0.05136 0.00582 82 4XZ 0.06297 -0.21145 0.09388 -0.16564 0.05262 83 4YZ 0.00749 -0.04035 0.01582 0.30081 -0.02931 84 10 H 1S -0.09195 0.22302 -0.12122 0.12691 -0.08428 85 2S 0.01240 -0.03389 -0.02077 0.28846 0.07809 86 11 H 1S -0.12493 0.25337 0.17319 -0.12571 -0.08086 87 2S -0.13264 -0.00197 -0.06398 0.03173 -0.07967 88 12 C 1S 0.03167 0.03119 0.00551 -0.00094 -0.01519 89 2S 0.31260 -0.12361 -0.23993 0.14937 -0.04512 90 2PX -0.03038 -0.00938 0.06671 -0.02889 0.05559 91 2PY 0.00367 -0.08225 -0.11109 0.10607 0.05580 92 2PZ -0.01156 0.02299 0.01368 -0.08701 0.03174 93 3S -1.12094 -0.30034 0.18677 -0.13772 0.32398 94 3PX 0.19181 0.10242 0.10305 0.52066 -0.16829 95 3PY -0.21447 0.28986 0.05825 -0.60672 -0.18422 96 3PZ 0.17097 -0.03763 0.06014 0.36512 -0.12902 97 4XX -0.00874 -0.29038 -0.00258 0.07544 0.10349 98 4YY -0.02550 0.32116 0.22713 0.05237 -0.18787 99 4ZZ 0.03271 -0.02356 -0.18636 -0.15962 0.08929 100 4XY -0.01863 -0.13273 -0.24528 0.05112 -0.00758 101 4XZ -0.06039 -0.21285 0.09476 0.16673 0.05247 102 4YZ 0.00793 0.04204 -0.01599 0.30053 0.03100 103 13 H 1S 0.12241 0.25430 0.17416 0.12603 -0.08059 104 2S 0.12970 -0.00123 -0.06346 -0.03124 -0.07918 105 14 H 1S 0.08904 0.22429 -0.12197 -0.12754 -0.08395 106 2S -0.01394 -0.03384 -0.02142 -0.28885 0.07742 107 15 C 1S 0.00850 0.01009 -0.00129 -0.01407 -0.00141 108 2S 0.12558 0.02666 0.13786 -0.13325 0.21004 109 2PX 0.01775 -0.08800 0.07087 -0.06242 -0.11991 110 2PY 0.18477 0.00173 -0.00925 0.04360 -0.02317 111 2PZ -0.01859 0.05378 -0.04864 -0.02414 0.07342 112 3S 0.21818 0.11122 -0.26828 0.61335 0.17297 113 3PX 0.07241 0.01229 -0.06425 -0.08277 0.17815 114 3PY 0.80677 -0.06914 -0.04207 -0.01377 -0.29265 115 3PZ 0.63013 0.07138 -0.25294 0.35366 -0.34154 116 4XX -0.00927 0.04226 -0.13843 -0.01700 -0.10706 117 4YY 0.04756 0.02496 0.08083 0.04698 0.10440 118 4ZZ -0.03408 -0.02777 0.00795 0.00801 -0.01144 119 4XY 0.27633 0.03987 0.00676 -0.03143 -0.09510 120 4XZ 0.17199 0.18060 -0.14890 0.05851 0.22086 121 4YZ -0.05890 -0.13155 0.22193 -0.02817 0.22509 122 16 H 1S 0.36923 0.12321 -0.22639 -0.01819 -0.25889 123 2S 0.35048 -0.04240 0.01606 0.05940 -0.19207 124 17 C 1S -0.00819 0.01023 -0.00153 0.01407 -0.00145 125 2S -0.11933 0.03079 0.13174 0.13322 0.21460 126 2PX -0.01985 -0.08723 0.06985 0.06289 -0.12040 127 2PY 0.18636 -0.00092 0.00892 0.04411 0.02158 128 2PZ 0.02370 0.05448 -0.04902 0.02406 0.07504 129 3S -0.22700 0.09000 -0.24442 -0.61561 0.16811 130 3PX -0.07297 0.01484 -0.06567 0.08214 0.17641 131 3PY 0.80574 0.07762 0.03823 -0.01523 0.29337 132 3PZ -0.63269 0.06040 -0.24822 -0.35323 -0.34515 133 4XX 0.00571 0.04141 -0.13725 0.01622 -0.10831 134 4YY -0.04330 0.02426 0.08176 -0.04629 0.10688 135 4ZZ 0.03203 -0.02705 0.00665 -0.00834 -0.01261 136 4XY 0.27129 -0.03979 -0.00542 -0.03157 0.09258 137 4XZ -0.16861 0.17900 -0.14893 -0.05938 0.22233 138 4YZ -0.05355 0.13128 -0.22110 -0.02810 -0.22477 139 18 H 1S -0.36313 0.12133 -0.22704 0.01859 -0.25791 140 2S -0.35199 -0.04563 0.01550 -0.05825 -0.19331 141 19 O 1S -0.01500 0.01048 -0.01799 0.01367 -0.01454 142 2S 0.01869 0.27146 -0.24524 -0.03307 0.29057 143 2PX 0.00864 0.05263 -0.06149 0.03530 0.05643 144 2PY 0.21210 0.03322 -0.02577 -0.07755 0.09448 145 2PZ 0.05626 -0.00179 -0.07267 -0.09216 -0.13486 146 3S 0.17340 -0.76691 0.83668 -0.28027 -0.27897 147 3PX -0.05613 -0.15399 0.21031 -0.15359 0.06971 148 3PY -0.29914 -0.19337 0.27906 0.07094 -0.02959 149 3PZ -0.14238 -0.01394 0.20840 0.18057 0.27493 150 4XX 0.07854 0.05607 -0.05278 0.00811 -0.03641 151 4YY -0.44162 0.11100 -0.10731 0.08101 0.07341 152 4ZZ 0.29981 -0.01604 0.01199 -0.03832 0.05572 153 4XY -0.24570 -0.00685 0.11361 -0.05779 0.16065 154 4XZ -0.17038 0.00748 0.07792 0.04299 0.21563 155 4YZ 0.12431 -0.06770 0.13188 0.02419 0.12253 156 20 O 1S 0.01516 0.01034 -0.01783 -0.01368 -0.01430 157 2S -0.01677 0.26787 -0.24155 0.03163 0.28702 158 2PX -0.00852 0.05216 -0.06121 -0.03522 0.05886 159 2PY 0.21118 -0.03203 0.02547 -0.07754 -0.09126 160 2PZ -0.05469 -0.00198 -0.07244 0.09229 -0.13758 161 3S -0.17955 -0.75542 0.82519 0.28342 -0.27544 162 3PX 0.05304 -0.15062 0.20716 0.15322 0.06749 163 3PY -0.29629 0.18994 -0.27737 0.07084 0.02668 164 3PZ 0.14051 -0.01409 0.20903 -0.18124 0.27857 165 4XX -0.07841 0.05548 -0.05212 -0.00792 -0.03699 166 4YY 0.44231 0.11106 -0.10567 -0.08157 0.07395 167 4ZZ -0.29883 -0.01738 0.01166 0.03814 0.05463 168 4XY -0.24495 0.00624 -0.11460 -0.05675 -0.15766 169 4XZ 0.17214 0.00879 0.07679 -0.04347 0.21390 170 4YZ 0.12932 0.06859 -0.13239 0.02429 -0.12583 171 21 C 1S -0.00025 -0.01992 0.01311 0.00007 -0.02275 172 2S -0.00221 -0.21787 0.13189 0.00019 -0.06190 173 2PX -0.00084 -0.01865 -0.04904 -0.00010 0.00804 174 2PY 0.04617 -0.00025 0.00040 0.10101 -0.00267 175 2PZ 0.00046 -0.00152 -0.00204 0.00024 -0.03363 176 3S 0.00673 0.83017 -0.80754 -0.00179 0.47160 177 3PX 0.00756 0.40584 -0.51737 0.00079 -0.37590 178 3PY 0.19163 0.00023 -0.00002 -0.04603 0.00175 179 3PZ 0.00142 -0.04800 -0.11608 0.00114 -0.39613 180 4XX 0.00161 0.08990 0.10194 -0.00054 0.28111 181 4YY -0.00452 -0.16348 -0.01001 0.00021 -0.30413 182 4ZZ 0.00316 0.09556 -0.09594 0.00031 0.02598 183 4XY 0.05578 0.00016 -0.00024 -0.16957 0.00368 184 4XZ -0.00234 -0.10490 0.11044 -0.00030 0.07870 185 4YZ -0.10770 -0.00056 0.00045 0.09184 -0.00425 186 22 H 1S 0.00010 -0.05458 -0.13306 0.00092 -0.38112 187 2S 0.00258 0.06041 -0.06772 0.00052 -0.19209 188 23 H 1S -0.00392 -0.16444 0.21641 -0.00014 0.02307 189 2S -0.00065 -0.10717 0.17349 -0.00033 0.12477 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98103 2.00055 2.01937 2.04155 1 1 C 1S -0.02215 -0.02596 -0.01426 -0.00225 -0.00015 2 2S -0.24614 -0.16335 -0.71109 0.00391 -0.31332 3 2PX 0.02914 -0.00238 -0.05423 -0.04531 0.01671 4 2PY -0.04342 0.00754 -0.15641 -0.01459 -0.08961 5 2PZ 0.06724 0.13080 0.08151 0.04387 -0.02957 6 3S 0.71001 0.77414 1.44481 -0.11534 0.58238 7 3PX -0.14497 -0.12472 0.01450 0.00374 0.12351 8 3PY -0.17551 0.01929 0.63606 -0.18128 0.64324 9 3PZ -0.23301 -0.47724 -0.12300 -0.18001 0.01762 10 4XX 0.02304 0.15877 0.02067 -0.03418 0.00171 11 4YY 0.19600 0.07408 -0.15671 0.05953 -0.07055 12 4ZZ -0.19897 -0.23570 0.14335 -0.05543 0.11707 13 4XY 0.04079 -0.02358 0.10265 -0.07687 -0.00351 14 4XZ 0.01546 0.02090 -0.03517 -0.07351 0.00916 15 4YZ -0.14497 -0.26584 -0.04930 -0.06727 -0.00878 16 2 H 1S -0.26623 -0.11538 0.07401 -0.05784 0.14449 17 2S -0.08825 -0.06337 0.06791 -0.07723 0.16319 18 3 C 1S 0.00029 0.00209 0.01314 -0.00287 0.01248 19 2S -0.16691 -0.20998 0.04954 -0.06187 0.08338 20 2PX 0.04662 0.07264 0.00636 0.02327 -0.00587 21 2PY -0.09878 -0.07496 0.11761 0.01860 0.06569 22 2PZ -0.04726 -0.07102 0.05129 0.02834 0.03899 23 3S 0.33960 0.16334 -0.66125 0.06573 -0.45630 24 3PX 0.01740 0.05705 0.13842 -0.11285 0.18191 25 3PY 0.37018 0.35510 -0.05567 0.05374 -0.10298 26 3PZ 0.00257 -0.00160 -0.09508 0.08197 -0.20422 27 4XX 0.05338 0.02259 0.08268 0.06085 0.03510 28 4YY -0.06063 -0.07571 -0.10505 -0.08444 -0.02056 29 4ZZ 0.01043 0.04621 0.04942 0.04601 0.01016 30 4XY -0.10592 -0.11632 0.24391 0.02775 0.08039 31 4XZ -0.10200 -0.07928 0.08743 -0.00296 0.14135 32 4YZ 0.01338 -0.05204 -0.32306 -0.08092 -0.12319 33 4 H 1S -0.09320 -0.05793 0.30317 0.06077 0.13022 34 2S 0.06124 0.04395 -0.08001 0.02814 -0.10709 35 5 C 1S -0.00027 -0.00208 0.01314 -0.00285 0.01244 36 2S 0.16792 0.21010 0.04487 -0.05951 0.08173 37 2PX -0.04677 -0.07258 0.00793 0.02275 -0.00551 38 2PY -0.10114 -0.07590 -0.11635 -0.01919 -0.06546 39 2PZ 0.04760 0.07126 0.04979 0.02889 0.03857 40 3S -0.34461 -0.16380 -0.65270 0.05785 -0.44956 41 3PX -0.01891 -0.05771 0.13724 -0.11064 0.18016 42 3PY 0.37241 0.35643 0.04883 -0.04997 0.10133 43 3PZ -0.00057 0.00160 -0.09260 0.07867 -0.20180 44 4XX -0.05036 -0.02143 0.08322 0.06097 0.03495 45 4YY 0.05737 0.07499 -0.10772 -0.08408 -0.02135 46 4ZZ -0.01058 -0.04682 0.05152 0.04541 0.01113 47 4XY -0.11142 -0.11785 -0.24235 -0.02825 -0.08004 48 4XZ 0.10054 0.07899 0.08542 -0.00266 0.14073 49 4YZ 0.01966 -0.04973 0.32326 0.08046 0.12352 50 6 H 1S 0.09799 0.05937 0.30222 0.06093 0.12992 51 2S -0.06150 -0.04467 -0.07855 0.02685 -0.10642 52 7 C 1S 0.02235 0.02603 -0.01464 -0.00216 -0.00018 53 2S 0.23895 0.15918 -0.71270 0.00370 -0.31255 54 2PX -0.03139 0.00215 -0.05474 -0.04531 0.01641 55 2PY -0.03963 0.00895 0.15594 0.01476 0.08940 56 2PZ -0.06613 -0.13122 0.08363 0.04296 -0.02886 57 3S -0.70647 -0.76873 1.45303 -0.11488 0.58073 58 3PX 0.14980 0.12489 0.01403 0.00542 0.12241 59 3PY -0.18174 0.01656 -0.63379 0.17804 -0.64041 60 3PZ 0.23153 0.48025 -0.13059 -0.17697 0.01512 61 4XX -0.02425 -0.15994 0.02204 -0.03494 0.00201 62 4YY -0.19641 -0.07420 -0.15567 0.05890 -0.06991 63 4ZZ 0.19974 0.23698 0.14071 -0.05385 0.11603 64 4XY 0.03740 -0.02579 -0.10321 0.07692 0.00373 65 4XZ -0.01758 -0.02134 -0.03514 -0.07350 0.00905 66 4YZ -0.14542 -0.26726 0.05246 0.06586 0.00961 67 8 H 1S 0.26725 0.11569 0.07183 -0.05673 0.14366 68 2S 0.08952 0.06330 0.06668 -0.07611 0.16238 69 9 C 1S 0.01801 0.02126 0.01864 -0.00577 0.00653 70 2S -0.03356 -0.17864 0.10283 -0.02205 -0.13009 71 2PX -0.01988 -0.00623 -0.00898 0.03793 -0.01759 72 2PY -0.03464 -0.02608 -0.06316 0.02084 -0.02113 73 2PZ 0.08582 0.14601 0.05587 -0.00122 0.07351 74 3S -0.33485 -0.09776 -0.61324 0.16360 -0.07765 75 3PX -0.13329 -0.39304 -0.03300 0.05903 -0.12190 76 3PY 0.28834 0.07716 0.01244 -0.01466 0.08602 77 3PZ -0.17585 -0.39917 0.17548 -0.07672 0.00510 78 4XX 0.01351 -0.06978 -0.03322 0.02135 -0.05610 79 4YY -0.05051 -0.06849 -0.00720 -0.03838 0.05109 80 4ZZ 0.04509 0.16991 0.06819 0.01656 0.03098 81 4XY 0.18279 0.21557 0.05058 0.10413 -0.03745 82 4XZ -0.09294 -0.20690 -0.01017 0.03140 -0.00539 83 4YZ -0.08572 0.00867 -0.10415 0.04294 -0.13131 84 10 H 1S 0.08638 0.17032 0.05655 -0.08927 0.07341 85 2S 0.02189 0.12251 0.03593 0.02563 0.02113 86 11 H 1S 0.00112 -0.01144 0.10602 0.03073 0.01870 87 2S 0.01087 -0.11394 0.02969 0.04743 -0.10297 88 12 C 1S -0.01804 -0.02094 0.01887 -0.00584 0.00656 89 2S 0.03369 0.17916 0.09961 -0.02013 -0.13176 90 2PX 0.02033 0.00562 -0.00938 0.03795 -0.01750 91 2PY -0.03290 -0.02562 0.06337 -0.02094 0.02117 92 2PZ -0.08491 -0.14562 0.05811 -0.00247 0.07449 93 3S 0.33481 0.09076 -0.61379 0.16398 -0.07722 94 3PX 0.13016 0.39370 -0.03590 0.06265 -0.12533 95 3PY 0.28543 0.07839 -0.01356 0.01522 -0.08656 96 3PZ 0.17451 0.39994 0.17020 -0.07371 0.00250 97 4XX -0.01397 0.06616 -0.03437 0.02159 -0.05639 98 4YY 0.04807 0.07009 -0.00866 -0.03782 0.05041 99 4ZZ -0.04201 -0.16772 0.07122 0.01555 0.03210 100 4XY 0.18301 0.21539 -0.05334 -0.10266 0.03640 101 4XZ 0.09232 0.20542 -0.01288 0.03234 -0.00594 102 4YZ -0.08341 0.01058 0.10374 -0.04284 0.13137 103 13 H 1S -0.00146 0.01337 0.10631 0.03117 0.01843 104 2S -0.01183 0.11490 0.02913 0.04815 -0.10411 105 14 H 1S -0.08555 -0.16767 0.05812 -0.09017 0.07405 106 2S -0.02058 -0.12283 0.03689 0.02451 0.02220 107 15 C 1S 0.01318 0.01668 0.00834 0.00488 0.00225 108 2S 0.43655 0.27228 -0.04647 0.16488 0.30927 109 2PX 0.00783 0.12740 0.12038 0.04863 0.03449 110 2PY 0.04855 -0.03943 -0.09394 0.20082 0.19571 111 2PZ 0.08719 -0.02062 -0.04873 0.05686 -0.01646 112 3S -1.15362 -1.15962 -0.51817 -0.20681 -0.08768 113 3PX -0.04847 -0.25961 -0.27595 -0.15794 -0.01383 114 3PY -0.20690 0.00848 0.39424 -0.09277 -0.44027 115 3PZ -0.30934 -0.16933 0.07112 0.09319 -0.23921 116 4XX -0.08999 -0.08137 -0.09446 0.32997 0.02774 117 4YY 0.08054 -0.05398 0.18170 -0.35531 -0.29992 118 4ZZ 0.00814 0.07418 -0.14966 0.05672 0.28507 119 4XY 0.12809 0.00596 0.07198 0.12514 -0.02073 120 4XZ 0.08688 -0.09673 -0.23417 -0.06445 -0.17920 121 4YZ 0.02103 0.02273 -0.11095 -0.25554 0.18266 122 16 H 1S 0.09391 0.07703 0.16365 0.28244 -0.27922 123 2S -0.05166 0.07124 0.20962 -0.03483 -0.09379 124 17 C 1S -0.01316 -0.01673 0.00865 0.00492 0.00215 125 2S -0.43563 -0.27579 -0.04170 0.16376 0.30736 126 2PX -0.00966 -0.12657 0.12109 0.04869 0.03447 127 2PY 0.05028 -0.03896 0.09390 -0.20023 -0.19581 128 2PZ -0.08608 0.01963 -0.04826 0.05615 -0.01727 129 3S 1.15740 1.16142 -0.53292 -0.21127 -0.07669 130 3PX 0.05085 0.25838 -0.27900 -0.15466 -0.01937 131 3PY -0.20482 0.00591 -0.39432 0.09817 0.43566 132 3PZ 0.30499 0.17263 0.07196 0.09037 -0.23482 133 4XX 0.08710 0.08141 -0.09530 0.33076 0.02783 134 4YY -0.07673 0.05437 0.18144 -0.35666 -0.29902 135 4ZZ -0.00932 -0.07462 -0.14860 0.05714 0.28442 136 4XY 0.12977 0.00594 -0.07297 -0.12415 0.02173 137 4XZ -0.08316 0.09517 -0.23319 -0.06564 -0.17941 138 4YZ 0.01851 0.02464 0.11114 0.25438 -0.18368 139 18 H 1S -0.09659 -0.07550 0.16628 0.28075 -0.27896 140 2S 0.04921 -0.06962 0.21102 -0.03644 -0.09247 141 19 O 1S 0.00897 -0.01990 -0.00312 0.02235 0.00277 142 2S -0.28511 -0.07149 -0.39914 0.05218 0.17449 143 2PX 0.11987 -0.16794 -0.06305 -0.24723 -0.05490 144 2PY -0.16547 0.14677 -0.06949 0.00247 0.03495 145 2PZ -0.14322 0.09021 0.01826 0.08238 0.12277 146 3S 0.50107 0.48308 0.83332 -0.45982 -0.37907 147 3PX -0.01936 0.37009 0.07028 0.42579 0.07702 148 3PY 0.19450 -0.08652 0.17957 -0.20432 -0.08737 149 3PZ 0.14515 -0.15497 0.01040 -0.01414 -0.29364 150 4XX -0.05324 0.08567 0.01649 -0.09470 0.10393 151 4YY -0.00413 -0.19268 -0.13252 -0.01386 0.09080 152 4ZZ -0.03989 0.03287 -0.04865 0.18424 -0.14726 153 4XY -0.19197 0.03723 -0.06199 0.26791 -0.02638 154 4XZ -0.03945 0.11271 -0.08656 -0.02816 0.01759 155 4YZ 0.14873 -0.09483 0.06404 0.06576 -0.22734 156 20 O 1S -0.00922 0.01997 -0.00314 0.02231 0.00288 157 2S 0.28825 0.06930 -0.40038 0.05161 0.17588 158 2PX -0.11786 0.16849 -0.06290 -0.24744 -0.05519 159 2PY -0.16693 0.14779 0.06932 -0.00219 -0.03549 160 2PZ 0.14091 -0.08903 0.01784 0.08271 0.12261 161 3S -0.50281 -0.48063 0.83625 -0.45714 -0.38520 162 3PX 0.01722 -0.37297 0.07140 0.42621 0.07632 163 3PY 0.19432 -0.08767 -0.17937 0.20251 0.08936 164 3PZ -0.14114 0.15245 0.01007 -0.01434 -0.29237 165 4XX 0.05345 -0.08476 0.01650 -0.09525 0.10476 166 4YY 0.00465 0.19259 -0.13340 -0.01263 0.09050 167 4ZZ 0.04010 -0.03458 -0.04824 0.18337 -0.14680 168 4XY -0.19224 0.04000 0.06364 -0.26943 0.02618 169 4XZ 0.04150 -0.11463 -0.08626 -0.02857 0.01759 170 4YZ 0.14761 -0.09282 -0.06462 -0.06528 0.22784 171 21 C 1S -0.00005 0.00014 0.03156 -0.02231 -0.03149 172 2S -0.00059 0.00034 0.08937 0.02850 -0.02712 173 2PX -0.00023 -0.00001 -0.09467 0.04566 0.12536 174 2PY 0.29520 -0.17697 -0.00045 0.00037 0.00030 175 2PZ 0.00058 0.00028 0.03836 -0.15601 -0.01722 176 3S 0.00050 -0.00357 -0.97434 0.81961 0.86703 177 3PX -0.00034 0.00282 -0.03299 -0.54410 0.39760 178 3PY -0.16805 0.13892 0.00014 0.00013 -0.00044 179 3PZ -0.00145 0.00293 0.15119 -0.47405 0.46196 180 4XX 0.00118 -0.00198 -0.04331 0.31223 -0.24907 181 4YY -0.00268 0.00205 0.15816 -0.06830 -0.06610 182 4ZZ 0.00143 -0.00025 -0.12909 -0.19967 0.34019 183 4XY -0.39491 0.32100 0.00057 -0.00055 -0.00050 184 4XZ -0.00081 -0.00027 -0.11009 0.11679 0.35819 185 4YZ 0.41410 -0.29875 -0.00019 0.00046 -0.00026 186 22 H 1S -0.00083 0.00274 0.16964 -0.50499 0.10619 187 2S -0.00031 0.00135 0.13290 -0.24571 0.04483 188 23 H 1S -0.00023 -0.00054 0.21928 0.19836 -0.60078 189 2S 0.00061 -0.00074 0.00902 0.03189 -0.13669 146 147 148 149 150 V V V V V Eigenvalues -- 2.08888 2.12024 2.14080 2.16027 2.23008 1 1 C 1S -0.00638 -0.00550 0.00636 0.00595 0.00037 2 2S -0.02849 -0.18421 -0.02695 -0.13077 -0.16825 3 2PX -0.11275 0.10365 0.02682 0.00507 -0.01185 4 2PY 0.01505 0.04342 -0.03249 -0.07850 -0.03852 5 2PZ 0.21715 -0.01093 -0.02864 -0.00470 -0.02015 6 3S -0.12943 0.68807 -0.21119 -0.00541 0.26028 7 3PX -0.16432 -0.41855 -0.44568 -0.05024 0.04410 8 3PY -0.18253 0.14749 -0.36148 0.25621 0.29816 9 3PZ -0.09410 -0.06851 -0.07628 -0.06357 0.18552 10 4XX 0.19767 0.22923 -0.08112 0.02929 0.14410 11 4YY -0.02398 -0.09788 0.17659 0.06552 -0.14420 12 4ZZ -0.20334 -0.06092 -0.12759 -0.07119 0.00826 13 4XY -0.04175 -0.27258 -0.16361 -0.11448 0.07033 14 4XZ -0.10165 0.19376 -0.08311 -0.06201 -0.02314 15 4YZ -0.09038 0.06912 -0.09266 -0.05950 0.00291 16 2 H 1S 0.01170 0.04536 -0.16831 0.02362 0.12667 17 2S -0.10604 -0.06143 -0.15099 0.09033 0.03841 18 3 C 1S -0.02415 0.00762 -0.00697 0.00309 -0.00496 19 2S -0.50663 0.37161 0.10840 0.03786 0.03627 20 2PX 0.05213 -0.14153 -0.00843 -0.00334 0.00801 21 2PY -0.16458 0.05225 0.06224 0.02735 0.07327 22 2PZ -0.06290 0.11542 0.02191 0.00751 -0.03318 23 3S 0.60818 -0.94670 0.35571 -0.09049 -0.28822 24 3PX -0.35923 0.37193 -0.04640 0.05218 -0.09257 25 3PY 0.22457 -0.32628 -0.19053 -0.08946 -0.22316 26 3PZ 0.36765 -0.32228 0.14828 0.00051 -0.13571 27 4XX -0.07858 0.04244 -0.05264 -0.01374 0.10019 28 4YY 0.24087 0.11431 -0.18192 -0.03659 0.03292 29 4ZZ -0.22850 -0.11466 0.25519 0.06690 -0.18425 30 4XY 0.17165 -0.08386 -0.04917 0.05195 -0.09604 31 4XZ -0.21363 0.18756 -0.15425 -0.01381 -0.06103 32 4YZ -0.07703 -0.07986 -0.00231 -0.06105 -0.18806 33 4 H 1S 0.09172 0.09742 -0.14098 0.02329 0.04671 34 2S 0.12134 -0.14728 0.03663 -0.01572 -0.05378 35 5 C 1S -0.02425 -0.00771 -0.00687 0.00307 0.00492 36 2S -0.50821 -0.37269 0.10836 0.03815 -0.03646 37 2PX 0.05229 0.14156 -0.00740 -0.00369 -0.00808 38 2PY 0.16453 0.05300 -0.06221 -0.02743 0.07292 39 2PZ -0.06284 -0.11554 0.02131 0.00774 0.03308 40 3S 0.61870 0.94985 0.34329 -0.08648 0.29015 41 3PX -0.36300 -0.37363 -0.04343 0.05053 0.09165 42 3PY -0.22880 -0.32739 0.19342 0.08854 -0.22266 43 3PZ 0.37128 0.32245 0.14296 0.00248 0.13550 44 4XX -0.07809 -0.04167 -0.05195 -0.01307 -0.09871 45 4YY 0.24044 -0.11378 -0.18248 -0.03660 -0.03326 46 4ZZ -0.22857 0.11312 0.25449 0.06645 0.18318 47 4XY -0.17237 -0.08353 0.04887 -0.05157 -0.09631 48 4XZ -0.21426 -0.18852 -0.15509 -0.01357 0.06025 49 4YZ 0.07737 -0.08087 0.00105 0.06111 -0.18914 50 6 H 1S 0.09206 -0.09778 -0.14156 0.02379 -0.04736 51 2S 0.12274 0.14774 0.03513 -0.01525 0.05397 52 7 C 1S -0.00627 0.00582 0.00612 0.00601 -0.00031 53 2S -0.02606 0.18735 -0.03049 -0.12958 0.16952 54 2PX -0.11339 -0.10423 0.02679 0.00502 0.01181 55 2PY -0.01581 0.04334 0.03331 0.07816 -0.03850 56 2PZ 0.21745 0.01081 -0.02868 -0.00437 0.02016 57 3S -0.13797 -0.69986 -0.19775 -0.01041 -0.26372 58 3PX -0.16396 0.42242 -0.44225 -0.05182 -0.04391 59 3PY 0.18716 0.14930 0.35243 -0.25265 0.29946 60 3PZ -0.09334 0.07024 -0.07436 -0.06471 -0.18435 61 4XX 0.19678 -0.22867 -0.08189 0.02983 -0.14339 62 4YY -0.02400 0.09675 0.17585 0.06561 0.14393 63 4ZZ -0.20279 0.06163 -0.12617 -0.07171 -0.00904 64 4XY 0.04161 -0.27356 0.16117 0.11541 0.06936 65 4XZ -0.10213 -0.19461 -0.08367 -0.06140 0.02286 66 4YZ 0.09048 0.06828 0.09337 0.05982 0.00251 67 8 H 1S 0.01134 -0.04401 -0.16756 0.02328 -0.12656 68 2S -0.10674 0.06202 -0.14894 0.08947 -0.03827 69 9 C 1S -0.00780 0.01016 -0.01550 -0.01203 -0.00442 70 2S 0.42860 0.25981 0.19584 -0.04802 -0.11202 71 2PX 0.01455 0.00900 0.02605 0.02387 0.03451 72 2PY -0.12045 -0.03380 -0.08273 -0.03272 0.02765 73 2PZ -0.09820 -0.05366 -0.09466 0.00032 0.00920 74 3S -0.16634 -0.44143 0.12136 0.24336 0.51225 75 3PX -0.06240 -0.09258 0.57151 0.00661 -0.04538 76 3PY 0.21715 0.15885 0.09875 0.14912 -0.11253 77 3PZ 0.33228 -0.00114 0.17821 0.01096 -0.03799 78 4XX 0.41134 -0.14063 -0.15344 0.01623 0.12079 79 4YY -0.21669 0.07292 -0.17023 -0.06504 -0.01454 80 4ZZ -0.24186 0.02975 0.24599 0.02909 -0.07151 81 4XY -0.00358 -0.13917 0.42548 0.10126 0.10191 82 4XZ -0.03531 0.05505 0.17214 0.01729 0.12131 83 4YZ 0.15262 -0.13894 0.07645 -0.04706 0.00679 84 10 H 1S -0.10240 0.12251 -0.36314 -0.08100 -0.12664 85 2S -0.02369 -0.01759 -0.17067 -0.01633 0.05161 86 11 H 1S -0.21130 0.04464 0.40600 0.05299 -0.05555 87 2S -0.06041 0.05260 -0.02620 -0.15314 -0.00797 88 12 C 1S -0.00789 -0.01014 -0.01565 -0.01189 0.00444 89 2S 0.42712 -0.26180 0.19424 -0.04691 0.11265 90 2PX 0.01441 -0.00894 0.02610 0.02383 -0.03445 91 2PY 0.12073 -0.03466 0.08252 0.03294 0.02768 92 2PZ -0.09755 0.05375 -0.09507 0.00064 -0.00953 93 3S -0.16523 0.44477 0.13260 0.23660 -0.51237 94 3PX -0.06122 0.09025 0.57336 0.00550 0.04654 95 3PY -0.21700 0.15950 -0.09633 -0.15111 -0.11264 96 3PZ 0.33253 -0.00141 0.17788 0.01178 0.03822 97 4XX 0.41129 0.13986 -0.15209 0.01586 -0.12139 98 4YY -0.21622 -0.07139 -0.17068 -0.06518 0.01475 99 4ZZ -0.24224 -0.03026 0.24533 0.02953 0.07178 100 4XY 0.00469 -0.13741 -0.42770 -0.10136 0.10120 101 4XZ -0.03405 -0.05615 0.17002 0.01711 -0.12090 102 4YZ -0.15225 -0.13861 -0.07824 0.04766 0.00641 103 13 H 1S -0.21099 -0.04574 0.40530 0.05360 0.05647 104 2S -0.06025 -0.05264 -0.02655 -0.15342 0.00831 105 14 H 1S -0.10293 -0.12069 -0.36436 -0.08022 0.12601 106 2S -0.02417 0.01813 -0.17115 -0.01622 -0.05208 107 15 C 1S 0.00266 0.00042 -0.00375 0.02936 0.00924 108 2S 0.03108 0.33165 -0.22685 0.49937 0.01120 109 2PX 0.07192 0.14961 -0.01827 -0.01347 0.02875 110 2PY -0.00536 0.00835 -0.11505 0.20740 -0.07052 111 2PZ -0.04576 0.02259 -0.03374 0.07251 -0.00179 112 3S -0.18727 -1.22882 0.07536 -0.52763 -0.67416 113 3PX -0.23759 -0.15506 -0.08382 0.35703 0.19355 114 3PY 0.15306 -0.13098 0.30850 -0.47229 -0.42220 115 3PZ 0.19972 -0.63363 0.20229 -0.40997 -0.26866 116 4XX 0.01347 -0.06074 -0.04957 -0.15234 0.09866 117 4YY -0.04337 0.01439 0.10285 -0.22302 -0.06353 118 4ZZ 0.02234 -0.09714 -0.03602 0.42250 -0.03357 119 4XY 0.05177 0.05811 0.05410 -0.03062 0.19483 120 4XZ -0.02503 -0.41706 -0.01258 0.16862 0.07766 121 4YZ -0.04534 0.00696 -0.01936 0.00808 0.34059 122 16 H 1S 0.09728 -0.04125 0.07778 -0.13451 -0.14429 123 2S 0.15423 -0.04387 0.09120 -0.18538 -0.08812 124 17 C 1S 0.00258 -0.00058 -0.00355 0.02927 -0.00937 125 2S 0.02866 -0.33186 -0.22553 0.49980 -0.01413 126 2PX 0.07153 -0.14997 -0.01886 -0.01349 -0.02874 127 2PY 0.00551 0.00706 0.11535 -0.20759 -0.06960 128 2PZ -0.04606 -0.02233 -0.03336 0.07215 0.00143 129 3S -0.17821 1.23485 0.06589 -0.52625 0.67792 130 3PX -0.23737 0.15779 -0.08117 0.35493 -0.19430 131 3PY -0.15550 -0.12724 -0.30386 0.47240 -0.42407 132 3PZ 0.20316 0.63354 0.19946 -0.41027 0.27068 133 4XX 0.01417 0.06149 -0.04974 -0.15260 -0.09909 134 4YY -0.04356 -0.01632 0.10269 -0.22293 0.06312 135 4ZZ 0.02230 0.09848 -0.03530 0.42230 0.03453 136 4XY -0.05153 0.05843 -0.05418 0.03106 0.19549 137 4XZ -0.02468 0.41864 -0.01101 0.16766 -0.07782 138 4YZ 0.04546 0.00714 0.01937 -0.00861 0.34186 139 18 H 1S 0.09729 0.04003 0.07753 -0.13505 0.14512 140 2S 0.15469 0.04217 0.09017 -0.18525 0.08855 141 19 O 1S 0.00834 0.00358 0.00128 0.01023 -0.00641 142 2S 0.02636 -0.40710 0.09674 -0.16466 -0.09661 143 2PX -0.02111 -0.12320 0.01850 0.10025 -0.04284 144 2PY 0.00417 -0.11699 0.03699 -0.13002 -0.01696 145 2PZ 0.04374 0.05890 0.05920 -0.07399 -0.06363 146 3S -0.25721 0.82567 -0.30557 0.11252 0.36334 147 3PX -0.03618 0.33786 -0.15669 0.05172 0.24549 148 3PY -0.11308 0.20532 -0.14604 0.10002 0.13425 149 3PZ -0.12578 -0.09306 -0.17340 -0.12467 0.17448 150 4XX 0.13465 -0.00449 0.09071 -0.21721 -0.11288 151 4YY 0.02488 -0.08758 0.06109 0.01708 -0.00474 152 4ZZ -0.12152 -0.04314 -0.11908 0.19856 0.08653 153 4XY -0.09787 -0.02138 -0.15993 -0.00462 0.29773 154 4XZ -0.04799 -0.06930 -0.03932 -0.05653 0.05800 155 4YZ -0.09302 0.01381 -0.10176 0.01161 0.24721 156 20 O 1S 0.00840 -0.00358 0.00118 0.01026 0.00639 157 2S 0.02755 0.40734 0.09731 -0.16475 0.09768 158 2PX -0.02080 0.12350 0.01904 0.10019 0.04275 159 2PY -0.00417 -0.11646 -0.03747 0.13045 -0.01745 160 2PZ 0.04376 -0.05975 0.05877 -0.07370 0.06384 161 3S -0.26136 -0.82617 -0.30371 0.11168 -0.36552 162 3PX -0.03788 -0.33807 -0.15682 0.05171 -0.24647 163 3PY 0.11372 0.20375 0.14591 -0.09976 0.13498 164 3PZ -0.12537 0.09512 -0.17308 -0.12459 -0.17419 165 4XX 0.13449 0.00251 0.09062 -0.21677 0.11122 166 4YY 0.02532 0.08767 0.06097 0.01708 0.00462 167 4ZZ -0.12128 0.04507 -0.11889 0.19807 -0.08460 168 4XY 0.09765 -0.02278 0.15985 0.00497 0.29754 169 4XZ -0.04811 0.06932 -0.03816 -0.05673 -0.05802 170 4YZ 0.09342 0.01337 0.10234 -0.01196 0.24752 171 21 C 1S 0.00182 -0.00002 0.00348 -0.02379 0.00004 172 2S -0.06297 0.00021 -0.11995 -0.54490 0.00063 173 2PX -0.01963 0.00027 -0.08077 -0.08789 0.00005 174 2PY 0.00010 0.09737 0.00006 -0.00011 0.02682 175 2PZ 0.00600 0.00006 0.03129 0.05950 0.00000 176 3S 0.19832 -0.00051 0.19632 0.89057 -0.00105 177 3PX 0.36915 -0.00226 0.56951 0.79258 -0.00120 178 3PY -0.00022 -0.07224 -0.00051 0.00068 0.03451 179 3PZ 0.29257 -0.00232 0.40610 -0.46957 0.00048 180 4XX -0.07065 -0.00005 -0.01325 -0.36955 -0.00028 181 4YY 0.05368 0.00013 -0.04602 0.32835 -0.00088 182 4ZZ 0.04960 -0.00020 0.10242 0.04523 0.00117 183 4XY 0.00003 -0.05179 -0.00032 0.00090 0.49473 184 4XZ 0.07217 -0.00074 0.17832 -0.59145 0.00153 185 4YZ 0.00003 0.11394 0.00011 0.00027 0.43058 186 22 H 1S 0.11019 -0.00040 0.08847 0.37319 -0.00034 187 2S 0.14949 -0.00120 0.26596 0.05099 -0.00024 188 23 H 1S -0.18751 0.00129 -0.31841 0.05212 -0.00035 189 2S -0.11885 0.00072 -0.06777 0.04157 0.00024 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26205 2.27983 2.29195 2.30956 1 1 C 1S -0.00504 0.02999 -0.00760 -0.00586 0.01788 2 2S -0.14779 0.63508 -0.02558 -0.14983 0.21194 3 2PX 0.02803 -0.06940 -0.00119 0.06007 -0.14351 4 2PY -0.01257 0.11337 0.00602 0.00801 -0.01583 5 2PZ -0.04327 0.04639 -0.00810 -0.01427 0.15001 6 3S 0.39061 -2.75844 0.11219 1.10711 -1.61633 7 3PX -0.20033 -0.53242 -0.00107 -0.18829 0.04967 8 3PY -0.18347 -1.82522 0.18107 0.51070 -0.87587 9 3PZ -0.24706 -0.42851 -0.01380 -0.01424 -0.25213 10 4XX -0.19007 -0.05978 -0.12040 -0.13421 0.09061 11 4YY 0.33724 0.20648 -0.07796 0.03744 -0.09351 12 4ZZ -0.12369 -0.24319 0.19402 0.14699 -0.08291 13 4XY -0.28047 -0.28950 0.03707 -0.05659 0.13931 14 4XZ -0.11062 -0.20632 0.09793 0.05073 -0.19898 15 4YZ -0.12214 -0.14754 -0.08129 -0.22566 -0.12552 16 2 H 1S -0.24749 -0.21239 0.06823 0.00703 0.01408 17 2S -0.10706 -0.41155 0.06039 0.08761 -0.18257 18 3 C 1S 0.00495 -0.02242 0.00020 0.01257 -0.02798 19 2S 0.29087 -0.29461 -0.03908 0.16923 -0.54704 20 2PX -0.06259 -0.01974 0.01851 0.03357 0.11345 21 2PY 0.06938 0.02245 -0.03703 -0.04732 0.04883 22 2PZ 0.07894 -0.02966 0.01385 0.04489 -0.11578 23 3S -0.27305 3.02302 -0.04835 -1.29081 2.45833 24 3PX 0.21745 -0.88242 0.06672 0.80823 -1.07331 25 3PY -0.01925 1.01011 0.01342 -0.62312 0.85843 26 3PZ -0.01446 1.37734 -0.03712 -0.44019 0.92291 27 4XX -0.14375 -0.20711 -0.13182 -0.32990 0.15534 28 4YY -0.15561 0.07048 0.10539 -0.06265 -0.03229 29 4ZZ 0.29245 0.19909 0.00565 0.34065 -0.12775 30 4XY -0.02823 -0.01947 -0.03525 0.34172 -0.02229 31 4XZ 0.10385 -0.02098 0.02608 0.00251 -0.18143 32 4YZ -0.08309 -0.05973 -0.05948 0.30532 -0.23161 33 4 H 1S 0.03717 0.08584 0.01677 -0.16526 0.11641 34 2S -0.04712 0.44801 -0.03157 -0.25797 0.33591 35 5 C 1S 0.00571 0.02232 0.00034 -0.01264 0.02748 36 2S 0.30136 0.28378 -0.03715 -0.17149 0.53935 37 2PX -0.06214 0.02217 0.01872 -0.03292 -0.11202 38 2PY -0.06882 0.02531 0.03812 -0.04581 0.05371 39 2PZ 0.07996 0.02704 0.01473 -0.04467 0.11717 40 3S -0.37385 -3.01510 -0.05932 1.29182 -2.44301 41 3PX 0.24791 0.87562 0.07823 -0.80729 1.06910 42 3PY 0.05201 1.01054 -0.00680 -0.62535 0.85779 43 3PZ -0.06007 -1.37453 -0.04067 0.43930 -0.91382 44 4XX -0.13765 0.20923 -0.13899 0.32574 -0.16943 45 4YY -0.15738 -0.06345 0.10435 0.06568 0.04118 46 4ZZ 0.28629 -0.20806 0.01337 -0.34010 0.13118 47 4XY 0.02748 -0.02017 0.03035 0.34265 -0.02124 48 4XZ 0.10473 0.01915 0.02580 -0.00199 0.17803 49 4YZ 0.07977 -0.06111 0.05493 0.30767 -0.22645 50 6 H 1S 0.03421 -0.08590 0.01357 0.16579 -0.11652 51 2S -0.06165 -0.44653 -0.03453 0.25758 -0.33447 52 7 C 1S -0.00617 -0.02998 -0.00756 0.00578 -0.01765 53 2S -0.16925 -0.63130 -0.02557 0.15016 -0.20899 54 2PX 0.03063 0.06815 -0.00040 -0.06051 0.14187 55 2PY 0.01628 0.11273 -0.00647 0.00773 -0.01649 56 2PZ -0.04497 -0.04459 -0.00878 0.01440 -0.14914 57 3S 0.48576 2.74992 0.12097 -1.10760 1.60279 58 3PX -0.18380 0.54190 -0.00588 0.18787 -0.05247 59 3PY 0.12369 -1.83262 -0.18291 0.50752 -0.86821 60 3PZ -0.23176 0.43274 -0.01652 0.01520 0.24970 61 4XX -0.18947 0.06502 -0.12372 0.13097 -0.10286 62 4YY 0.33186 -0.21806 -0.07598 -0.03838 0.09346 63 4ZZ -0.11567 0.24894 0.19597 -0.14289 0.09482 64 4XY 0.27099 -0.29922 -0.03505 -0.05718 0.13873 65 4XZ -0.10410 0.21022 0.09796 -0.04793 0.20559 66 4YZ 0.11722 -0.15122 0.08507 -0.22330 -0.11569 67 8 H 1S -0.24197 0.22101 0.06699 -0.00527 -0.01271 68 2S -0.09341 0.41474 0.06059 -0.08637 0.17926 69 9 C 1S -0.00830 0.04537 -0.00309 -0.00479 -0.00369 70 2S -0.01323 0.23803 -0.13487 -0.32508 -0.38706 71 2PX -0.04439 -0.02940 0.02784 0.03960 0.02874 72 2PY 0.02316 0.00181 -0.01323 0.05388 0.02395 73 2PZ -0.00726 0.12447 0.05819 0.04445 0.13801 74 3S 0.03953 -2.46691 0.15093 0.95118 0.09702 75 3PX -0.00539 -0.42938 -0.12463 -0.40452 -0.46945 76 3PY -0.02307 0.59309 0.02564 -0.00615 -0.10944 77 3PZ -0.12895 0.41614 -0.03756 -0.34840 0.10626 78 4XX 0.18113 -0.12682 -0.03337 0.22095 0.14685 79 4YY -0.02632 -0.09652 -0.04609 -0.13129 -0.10012 80 4ZZ -0.18136 0.22962 0.11053 -0.00414 0.02841 81 4XY -0.13224 -0.41752 -0.00510 0.10441 -0.03766 82 4XZ -0.45438 0.19271 0.21465 -0.01627 0.21941 83 4YZ -0.10290 -0.11065 0.04505 -0.03094 -0.12282 84 10 H 1S 0.27092 0.18696 -0.11777 -0.03286 -0.08374 85 2S -0.02554 0.06668 0.08173 0.08629 0.11795 86 11 H 1S -0.26051 0.07042 0.06146 -0.20387 -0.07286 87 2S 0.12389 -0.01982 -0.16924 -0.13706 -0.21235 88 12 C 1S -0.00974 -0.04499 -0.00303 0.00475 0.00347 89 2S -0.01918 -0.23784 -0.13910 0.32370 0.39250 90 2PX -0.04371 0.03048 0.02847 -0.03904 -0.02843 91 2PY -0.02289 0.00310 0.01224 0.05439 0.02632 92 2PZ -0.01188 -0.12336 0.05930 -0.04350 -0.13838 93 3S 0.11698 2.46278 0.15755 -0.94970 -0.09810 94 3PX 0.01160 0.42763 -0.13363 0.40141 0.46679 95 3PY 0.04053 0.59307 -0.02734 -0.00722 -0.10949 96 3PZ -0.14318 -0.41016 -0.04165 0.34824 -0.10832 97 4XX 0.18467 0.12323 -0.03055 -0.22191 -0.14608 98 4YY -0.02316 0.09694 -0.04842 0.13031 0.09433 99 4ZZ -0.18860 -0.22526 0.11135 0.00651 -0.02501 100 4XY 0.12011 -0.41926 0.00450 0.10476 -0.03313 101 4XZ -0.46033 -0.17817 0.21510 0.02106 -0.21655 102 4YZ 0.09939 -0.11391 -0.04562 -0.03176 -0.12535 103 13 H 1S -0.26197 -0.06377 0.05828 0.20487 0.07023 104 2S 0.12557 0.01604 -0.17205 0.13422 0.21337 105 14 H 1S 0.26517 -0.19478 -0.11794 0.03047 0.08293 106 2S -0.02840 -0.06527 0.08376 -0.08439 -0.11483 107 15 C 1S 0.00897 -0.00594 0.01455 -0.00432 -0.03601 108 2S 0.06014 -0.06682 0.41606 -0.32953 -0.81907 109 2PX -0.03240 -0.01985 -0.01655 0.05073 0.11573 110 2PY -0.01102 -0.02148 0.15935 0.00360 0.05799 111 2PZ 0.00234 0.04086 0.03650 -0.10847 -0.22804 112 3S -0.23249 0.58308 -0.43920 0.88235 3.33894 113 3PX 0.02467 0.12272 0.08475 -0.32813 -0.96976 114 3PY 0.11215 0.24079 -0.24084 0.65364 1.54053 115 3PZ -0.16177 0.03565 -0.40664 0.37613 1.84324 116 4XX 0.08693 0.02470 0.32848 0.17432 0.14754 117 4YY 0.02568 -0.01539 -0.20886 -0.02111 0.02592 118 4ZZ -0.10191 0.01477 -0.14871 -0.10949 -0.07674 119 4XY 0.03530 0.03279 0.04769 0.02020 -0.00082 120 4XZ -0.00252 0.14639 0.16348 -0.20467 -0.20585 121 4YZ 0.09135 0.07090 0.14695 0.02245 -0.06628 122 16 H 1S -0.00915 -0.01743 -0.00197 0.06363 0.22693 123 2S -0.01697 -0.05187 -0.15562 0.23059 0.60977 124 17 C 1S 0.00936 0.00577 0.01439 0.00441 0.03579 125 2S 0.06538 0.06709 0.40932 0.33548 0.81649 126 2PX -0.03261 0.02080 -0.01592 -0.05092 -0.11573 127 2PY 0.01038 -0.02250 -0.15958 0.00128 0.05884 128 2PZ 0.00204 -0.04082 0.03434 0.10902 0.22834 129 3S -0.26357 -0.57788 -0.41634 -0.88711 -3.33365 130 3PX 0.02449 -0.12369 0.07736 0.32862 0.96638 131 3PY -0.09852 0.24588 0.22732 0.65751 1.54252 132 3PZ -0.17032 -0.03180 -0.39789 -0.37952 -1.83545 133 4XX 0.08541 -0.02671 0.33151 -0.16964 -0.15165 134 4YY 0.02666 0.01368 -0.20840 0.01767 -0.02456 135 4ZZ -0.10205 -0.01147 -0.15121 0.10749 0.07943 136 4XY -0.03360 0.03421 -0.04775 0.01899 -0.00146 137 4XZ -0.00555 -0.14635 0.16040 0.20667 0.20290 138 4YZ -0.08808 0.07346 -0.14628 0.02009 -0.06511 139 18 H 1S -0.00894 0.01756 -0.00041 -0.06395 -0.22749 140 2S -0.01811 0.05199 -0.15149 -0.23203 -0.60759 141 19 O 1S -0.00067 -0.00377 0.01167 0.01394 0.02470 142 2S -0.02006 0.11123 -0.11371 -0.16196 0.08674 143 2PX 0.01428 0.03696 -0.00142 -0.11131 -0.07219 144 2PY -0.00711 0.03279 -0.05132 -0.05875 -0.06691 145 2PZ 0.00941 -0.02435 -0.05076 0.03566 0.09278 146 3S 0.10820 -0.15003 0.08050 -0.08766 -1.26969 147 3PX 0.04615 -0.03958 0.20836 0.15834 -0.32753 148 3PY -0.01826 -0.08037 -0.01976 -0.01656 -0.15911 149 3PZ -0.04830 0.03994 0.01833 0.01387 -0.02105 150 4XX 0.15495 -0.06005 0.44428 0.03307 0.07341 151 4YY -0.03033 0.00549 -0.04886 -0.04287 0.07274 152 4ZZ -0.13656 0.06674 -0.35860 0.02320 -0.06089 153 4XY -0.02835 0.06750 -0.10071 0.10990 -0.03821 154 4XZ 0.03520 0.02308 0.14058 -0.11738 -0.32546 155 4YZ 0.01425 0.07511 -0.01387 0.13109 -0.08614 156 20 O 1S -0.00068 0.00387 0.01193 -0.01376 -0.02465 157 2S -0.02312 -0.11103 -0.11530 0.16080 -0.08369 158 2PX 0.01380 -0.03764 -0.00314 0.11115 0.07181 159 2PY 0.00764 0.03272 0.05232 -0.05803 -0.06737 160 2PZ 0.00984 0.02383 -0.04993 -0.03643 -0.09251 161 3S 0.11696 0.14653 0.07529 0.08758 1.26269 162 3PX 0.04772 0.03944 0.20956 -0.15542 0.32563 163 3PY 0.01561 -0.08072 0.02087 -0.01585 -0.15729 164 3PZ -0.04983 -0.03806 0.01853 -0.01323 0.02248 165 4XX 0.15703 0.05615 0.44539 -0.02684 -0.07847 166 4YY -0.03062 -0.00501 -0.04912 0.04182 -0.07279 167 4ZZ -0.13910 -0.06262 -0.35905 -0.02774 0.06671 168 4XY 0.03115 0.06627 0.09938 0.11098 -0.04169 169 4XZ 0.03602 -0.02350 0.13911 0.11983 0.32472 170 4YZ -0.01111 0.07511 0.01328 0.13138 -0.08792 171 21 C 1S -0.00308 0.00000 -0.01734 -0.00011 0.00004 172 2S -0.02645 0.00009 -0.22522 -0.00102 0.00286 173 2PX 0.01469 -0.00009 0.00265 0.00018 0.00076 174 2PY -0.00036 -0.02986 0.00002 0.02850 -0.00317 175 2PZ -0.00715 0.00002 -0.00542 -0.00012 -0.00049 176 3S 0.14844 -0.00091 0.59250 0.00357 -0.00327 177 3PX 0.09949 -0.00139 0.38700 0.00193 -0.00369 178 3PY 0.00002 0.00448 0.00080 -0.05826 -0.00054 179 3PZ 0.03658 -0.00141 -0.23904 -0.00159 0.00016 180 4XX 0.05864 -0.00122 0.22123 0.00160 -0.00241 181 4YY 0.02491 -0.00026 0.17275 0.00095 -0.00102 182 4ZZ -0.08625 0.00146 -0.39393 -0.00263 0.00297 183 4XY 0.00250 0.12301 0.00016 0.12017 -0.17998 184 4XZ -0.07847 0.00057 -0.33342 -0.00192 0.00105 185 4YZ 0.00255 0.11204 -0.00032 0.20561 -0.11473 186 22 H 1S 0.00461 0.00011 -0.01879 -0.00034 0.00049 187 2S 0.02722 -0.00074 0.07718 0.00033 -0.00156 188 23 H 1S 0.04270 -0.00037 0.21642 0.00167 -0.00127 189 2S -0.10814 0.00160 -0.07883 -0.00053 0.00117 156 157 158 159 160 V V V V V Eigenvalues -- 2.31854 2.37118 2.40151 2.43437 2.44809 1 1 C 1S -0.01242 -0.00966 0.01360 -0.05894 -0.02195 2 2S -0.11269 -0.49700 -0.39245 -1.20190 -0.06717 3 2PX 0.04177 0.06023 0.08608 -0.02539 -0.00560 4 2PY -0.03146 -0.14155 -0.11402 -0.20350 0.03085 5 2PZ -0.01657 -0.05739 -0.20419 0.13271 0.04825 6 3S 0.54166 0.59061 0.54668 3.62644 0.73992 7 3PX 0.12436 -0.09684 -0.11125 -0.01190 0.10995 8 3PY 0.31669 0.76665 0.42769 1.90845 0.18743 9 3PZ 0.09981 -0.00655 -0.15162 0.47523 0.09021 10 4XX 0.39165 0.17619 -0.12093 0.05606 -0.25191 11 4YY -0.00194 -0.20270 0.13850 0.05287 0.21174 12 4ZZ -0.38277 0.08469 0.13050 0.08263 0.04062 13 4XY 0.03573 0.06825 -0.11138 -0.02607 0.08550 14 4XZ -0.19431 0.00727 0.09003 -0.23744 -0.05627 15 4YZ 0.31615 -0.21565 -0.07828 0.13811 0.09921 16 2 H 1S -0.03029 0.21480 -0.02640 0.02059 -0.15604 17 2S 0.11179 0.17065 0.11847 0.36838 0.05309 18 3 C 1S 0.01619 0.00551 0.00273 -0.03309 0.01167 19 2S 0.19552 0.04827 0.02146 -0.20662 0.07517 20 2PX -0.04123 0.07411 -0.03254 0.12556 -0.00466 21 2PY 0.14768 0.04622 -0.07473 0.16129 -0.02644 22 2PZ -0.05430 -0.04202 0.00964 -0.08289 0.00927 23 3S -0.44799 -1.15109 -0.53155 -0.59715 -0.43156 24 3PX 0.09366 0.29226 0.32131 0.39298 0.15479 25 3PY -0.07267 -0.70912 -0.16977 0.16393 0.10192 26 3PZ -0.23094 -0.28049 -0.36005 -0.42229 -0.10851 27 4XX 0.44100 -0.02154 -0.22431 -0.14337 -0.07972 28 4YY -0.22228 -0.03298 -0.03908 0.25155 0.08762 29 4ZZ -0.16276 -0.01986 0.27761 -0.13100 -0.01182 30 4XY 0.06846 0.17688 -0.44874 0.15878 0.02454 31 4XZ 0.12003 -0.08387 -0.11389 -0.29613 0.15010 32 4YZ 0.14995 -0.04220 -0.19960 0.13079 -0.07063 33 4 H 1S 0.02489 -0.00551 -0.18384 -0.13796 0.11090 34 2S -0.04405 -0.19291 -0.09151 -0.01961 -0.03305 35 5 C 1S 0.01695 -0.00566 -0.00285 0.03259 0.01151 36 2S 0.21183 -0.04849 -0.02256 0.20586 0.07298 37 2PX -0.04415 -0.07427 0.03327 -0.12640 -0.00344 38 2PY -0.14690 0.04605 -0.07459 0.16040 0.02541 39 2PZ -0.05132 0.04212 -0.00976 0.08353 0.00849 40 3S -0.52548 1.15524 0.53506 0.61438 -0.43662 41 3PX 0.12467 -0.29356 -0.32188 -0.39967 0.15735 42 3PY 0.09998 -0.70971 -0.17016 0.16755 -0.10271 43 3PZ -0.25944 0.28109 0.36063 0.42708 -0.11123 44 4XX 0.43856 0.02139 0.22308 0.14541 -0.08025 45 4YY -0.22021 0.03251 0.03923 -0.25519 0.08875 46 4ZZ -0.16253 0.02015 -0.27698 0.13236 -0.01238 47 4XY -0.06956 0.17712 -0.44736 0.15934 -0.02653 48 4XZ 0.12562 0.08266 0.11217 0.28873 0.14831 49 4YZ -0.15717 -0.04253 -0.19913 0.12848 0.06992 50 6 H 1S 0.02230 0.00458 0.18255 0.13344 0.11029 51 2S -0.05403 0.19368 0.09168 0.02110 -0.03307 52 7 C 1S -0.01322 0.00994 -0.01333 0.06032 -0.02243 53 2S -0.12114 0.49913 0.39411 1.20565 -0.07573 54 2PX 0.04552 -0.06003 -0.08580 0.02548 -0.00559 55 2PY 0.03132 -0.14163 -0.11446 -0.20128 -0.02952 56 2PZ -0.01982 0.05706 0.20328 -0.13453 0.04939 57 3S 0.59937 -0.60117 -0.55556 -3.66528 0.76674 58 3PX 0.12516 0.09657 0.11143 0.00790 0.11057 59 3PY -0.34947 0.77145 0.42898 1.91814 -0.20145 60 3PZ 0.11116 0.00656 0.15108 -0.47521 0.09316 61 4XX 0.39004 -0.17605 0.12055 -0.04750 -0.25125 62 4YY 0.00033 0.20315 -0.14110 -0.06098 0.21218 63 4ZZ -0.38104 -0.08546 -0.12747 -0.08220 0.04072 64 4XY -0.03188 0.06833 -0.11077 -0.02181 -0.08636 65 4XZ -0.18811 -0.00689 -0.08861 0.24064 -0.05845 66 4YZ -0.32167 -0.21447 -0.07551 0.14279 -0.09973 67 8 H 1S -0.02953 -0.21452 0.02881 -0.01344 -0.15594 68 2S 0.11848 -0.17160 -0.11891 -0.37051 0.05588 69 9 C 1S 0.00922 0.03628 0.01014 -0.08754 0.01664 70 2S -0.14797 0.30677 0.04517 -0.54458 0.09537 71 2PX -0.00398 -0.07035 0.01130 -0.00208 -0.01846 72 2PY 0.05671 0.08816 0.06827 -0.06108 -0.01339 73 2PZ 0.02515 -0.08798 -0.01364 -0.13823 0.05396 74 3S -0.08803 -0.74366 -0.00183 4.02160 -0.51892 75 3PX 0.05810 0.12588 -0.19990 0.77252 -0.06166 76 3PY -0.01913 0.46686 -0.08484 -0.99508 -0.07309 77 3PZ 0.13638 0.51161 0.11924 -1.14235 0.19161 78 4XX 0.00575 0.41655 0.31040 -0.37494 0.09131 79 4YY 0.18132 -0.17460 -0.12210 0.21668 0.05165 80 4ZZ -0.13444 -0.23368 -0.15654 0.15204 -0.13939 81 4XY 0.13832 -0.32167 -0.11074 -0.11761 -0.03238 82 4XZ -0.02422 -0.05916 0.08367 0.01287 0.14624 83 4YZ -0.06334 -0.28815 0.41436 0.14769 0.03394 84 10 H 1S -0.00969 0.12733 -0.10376 -0.23009 -0.01552 85 2S -0.08439 -0.28069 0.06038 -0.08739 0.02008 86 11 H 1S 0.09629 -0.23934 -0.21569 -0.06012 -0.02791 87 2S -0.04530 0.08103 0.02159 0.21021 0.13007 88 12 C 1S 0.00895 -0.03641 -0.01028 0.08698 0.01599 89 2S -0.13683 -0.30701 -0.04591 0.54078 0.09027 90 2PX -0.00489 0.07049 -0.01114 0.00328 -0.01847 91 2PY -0.05514 0.08792 0.06834 -0.06239 0.01360 92 2PZ 0.02008 0.08763 0.01360 0.13677 0.05319 93 3S -0.07755 0.74825 0.00587 -4.00526 -0.48765 94 3PX 0.07717 -0.12510 0.19930 -0.77280 -0.05745 95 3PY 0.01966 0.46725 -0.08507 -0.99861 0.08036 96 3PZ 0.12906 -0.51341 -0.12243 1.12775 0.18243 97 4XX -0.00176 -0.41730 -0.31128 0.37141 0.08871 98 4YY 0.18621 0.17466 0.11965 -0.21894 0.05296 99 4ZZ -0.13479 0.23416 0.15987 -0.14618 -0.13785 100 4XY -0.14114 -0.32229 -0.10995 -0.11644 0.03318 101 4XZ -0.03286 0.05698 -0.08529 -0.02006 0.14670 102 4YZ 0.06052 -0.28824 0.41425 0.15031 -0.03432 103 13 H 1S 0.09986 0.23942 0.21500 0.05814 -0.02884 104 2S -0.03777 -0.08092 -0.02154 -0.20831 0.13133 105 14 H 1S -0.00704 -0.12718 0.10429 0.23359 -0.01710 106 2S -0.08859 0.28070 -0.05956 0.08903 0.01974 107 15 C 1S 0.00565 0.02956 0.01470 0.03463 0.00267 108 2S 0.09676 0.67325 0.06301 0.35821 -0.06235 109 2PX 0.00356 -0.02410 0.06264 -0.00270 0.01800 110 2PY 0.04791 -0.04989 -0.03666 -0.07561 0.00728 111 2PZ -0.00813 0.14782 -0.03046 0.01465 -0.01501 112 3S -0.13090 -2.73104 -0.64356 -1.86843 -0.01875 113 3PX 0.05965 0.45906 -0.12481 -0.26719 0.16778 114 3PY -0.03906 -1.25476 -0.13902 -0.59244 -0.04484 115 3PZ -0.11815 -1.20209 -0.05266 -0.40899 0.02787 116 4XX 0.09912 -0.22699 -0.02302 0.08568 -0.28055 117 4YY -0.05308 -0.02303 -0.04635 -0.08002 0.03303 118 4ZZ -0.04946 0.14142 0.06391 -0.03006 0.27002 119 4XY 0.01188 0.07920 0.09011 0.17149 -0.04697 120 4XZ 0.06682 0.02462 -0.06029 -0.10260 -0.01917 121 4YZ 0.05462 0.06392 0.06168 0.15504 0.00533 122 16 H 1S -0.00762 -0.15630 0.01287 0.00642 -0.11108 123 2S -0.02557 -0.40394 0.02540 -0.00633 0.03334 124 17 C 1S 0.00677 -0.02964 -0.01480 -0.03487 0.00280 125 2S 0.12435 -0.67531 -0.06288 -0.35651 -0.06148 126 2PX -0.00054 0.02437 -0.06266 0.00394 0.01795 127 2PY -0.04604 -0.04940 -0.03679 -0.07589 -0.00715 128 2PZ -0.00040 -0.14806 0.03067 -0.01416 -0.01551 129 3S -0.24182 2.73407 0.64536 1.87027 -0.02279 130 3PX 0.09198 -0.45807 0.12478 0.26906 0.16321 131 3PY 0.09278 -1.25721 -0.13871 -0.59234 0.04359 132 3PZ -0.17941 1.20081 0.05250 0.40819 0.02963 133 4XX 0.09332 0.22713 0.02354 -0.08900 -0.28022 134 4YY -0.05347 0.02321 0.04570 0.07862 0.03307 135 4ZZ -0.04681 -0.14154 -0.06412 0.03329 0.26969 136 4XY -0.01218 0.07986 0.09014 0.17213 0.04710 137 4XZ 0.07335 -0.02373 0.06042 0.10263 -0.02027 138 4YZ -0.05663 0.06501 0.06192 0.15463 -0.00595 139 18 H 1S -0.01573 0.15708 -0.01271 -0.00756 -0.11043 140 2S -0.04632 0.40313 -0.02584 0.00590 0.03552 141 19 O 1S -0.00028 -0.01633 -0.00066 0.01010 -0.01361 142 2S -0.08916 -0.07080 -0.09512 -0.11000 -0.05360 143 2PX 0.00482 0.05288 -0.02077 -0.05414 0.04976 144 2PY -0.02330 0.02588 -0.02708 -0.03257 -0.00408 145 2PZ -0.01081 -0.02559 0.02204 -0.01950 0.03767 146 3S 0.15847 0.84553 0.19536 0.22215 0.34022 147 3PX 0.06069 0.13173 0.06453 0.21171 -0.13834 148 3PY 0.04290 0.16241 0.07913 0.05661 0.15585 149 3PZ -0.04409 -0.05427 -0.06377 0.05381 -0.23230 150 4XX 0.15136 -0.03352 0.03761 0.21956 -0.18525 151 4YY 0.01221 -0.01440 0.00461 -0.03548 0.04330 152 4ZZ -0.17966 -0.02759 -0.06716 -0.15215 0.07263 153 4XY -0.08775 -0.09253 -0.03309 -0.02913 -0.24401 154 4XZ 0.01968 0.17175 -0.04452 0.16012 -0.10073 155 4YZ -0.04878 -0.10983 -0.07859 -0.03617 -0.35424 156 20 O 1S -0.00106 0.01625 0.00070 -0.01025 -0.01350 157 2S -0.09172 0.07073 0.09572 0.11073 -0.05408 158 2PX 0.00728 -0.05271 0.02074 0.05480 0.04927 159 2PY 0.02122 0.02574 -0.02714 -0.03297 0.00420 160 2PZ -0.01399 0.02578 -0.02203 0.02032 0.03758 161 3S 0.19950 -0.84422 -0.19691 -0.22019 0.33880 162 3PX 0.07083 -0.13252 -0.06456 -0.21324 -0.13726 163 3PY -0.04838 0.16149 0.07965 0.05637 -0.15500 164 3PZ -0.04294 0.05420 0.06408 -0.05755 -0.23204 165 4XX 0.14848 0.03282 -0.03720 -0.22070 -0.18436 166 4YY 0.01008 0.01481 -0.00470 0.03507 0.04191 167 4ZZ -0.17728 0.02751 0.06699 0.15291 0.07365 168 4XY 0.08662 -0.09206 -0.03302 -0.02432 0.24422 169 4XZ 0.03128 -0.17257 0.04483 -0.16115 -0.10028 170 4YZ 0.04684 -0.10937 -0.07836 -0.02905 0.35386 171 21 C 1S -0.00228 0.00003 -0.00003 -0.00006 0.00406 172 2S -0.17396 0.00029 0.00070 0.00222 -0.01202 173 2PX -0.05149 0.00003 0.00036 0.00086 -0.03026 174 2PY -0.00004 0.00364 0.01965 -0.01622 -0.00002 175 2PZ 0.02226 0.00016 -0.00016 -0.00060 -0.00129 176 3S 0.19898 -0.00123 0.00011 -0.00085 -0.14598 177 3PX 0.24661 -0.00082 -0.00074 -0.00240 -0.04780 178 3PY -0.00004 0.03434 -0.01721 -0.10851 0.00017 179 3PZ 0.02412 -0.00011 -0.00048 0.00044 0.23869 180 4XX 0.14736 0.00036 0.00050 0.00708 0.64471 181 4YY 0.08162 -0.00006 0.00007 0.00004 0.01957 182 4ZZ -0.19868 -0.00034 -0.00080 -0.00777 -0.64577 183 4XY -0.00274 -0.06850 -0.09069 -0.15309 0.00021 184 4XZ -0.06368 0.00024 -0.00028 0.00009 0.10485 185 4YZ -0.00147 -0.12411 -0.08202 -0.03673 0.00053 186 22 H 1S -0.02671 -0.00027 -0.00037 -0.00412 -0.34729 187 2S 0.11116 -0.00016 -0.00033 0.00060 0.17203 188 23 H 1S 0.07222 0.00014 0.00048 0.00429 0.33266 189 2S -0.08976 0.00041 0.00006 -0.00208 -0.28880 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52229 2.54540 2.59889 1 1 C 1S -0.05742 -0.01407 0.02279 0.01264 -0.00754 2 2S -0.16850 -0.27753 0.29490 0.67705 -0.01950 3 2PX 0.01036 0.03334 0.00365 0.00803 0.03752 4 2PY 0.07639 -0.03917 0.06396 0.15924 0.00625 5 2PZ 0.07348 -0.04813 -0.08602 0.03355 -0.02239 6 3S 1.73284 0.51990 -0.92441 -1.33417 0.15709 7 3PX 0.09595 -0.08480 0.32171 -0.36593 0.06662 8 3PY 0.45331 0.12827 -0.48661 -0.98542 0.15552 9 3PZ 0.17577 -0.24163 -0.25019 0.14708 -0.07587 10 4XX -0.37469 0.05318 0.01637 -0.11668 0.03184 11 4YY 0.36648 -0.02813 -0.03776 0.00295 -0.18626 12 4ZZ -0.02108 0.01917 0.00754 -0.07050 0.15682 13 4XY 0.17637 0.01722 -0.07002 0.04194 -0.02790 14 4XZ -0.17705 0.02673 0.10197 0.03936 -0.09909 15 4YZ 0.21548 -0.08839 -0.12829 0.10879 -0.05491 16 2 H 1S -0.31995 -0.03175 0.05166 -0.09823 0.11006 17 2S 0.12810 0.03060 -0.11456 -0.25502 0.02771 18 3 C 1S 0.02215 0.00316 0.00731 0.00397 0.00833 19 2S 0.09367 -0.06945 0.30663 0.10867 0.07369 20 2PX 0.01479 0.02460 -0.06979 -0.07489 0.03990 21 2PY -0.00740 0.00234 -0.00305 -0.03056 0.07340 22 2PZ -0.00669 -0.00913 0.05354 0.03726 -0.03023 23 3S -0.80713 -0.16828 -0.41281 0.71862 -0.27151 24 3PX 0.30204 0.11903 0.28553 -0.31713 0.12999 25 3PY 0.16814 0.05163 -0.02248 -0.10414 -0.01977 26 3PZ -0.26519 -0.17673 -0.13664 0.37582 -0.06818 27 4XX -0.06856 0.00671 -0.09917 0.04647 -0.02752 28 4YY 0.12974 -0.01295 0.00144 -0.04097 -0.06636 29 4ZZ -0.05807 0.02220 0.01891 -0.00878 0.08447 30 4XY 0.02876 -0.08769 0.08450 -0.05399 -0.08130 31 4XZ 0.31541 0.02685 0.11453 0.08571 0.00830 32 4YZ -0.07741 -0.10161 0.01037 0.01114 0.03877 33 4 H 1S 0.18791 0.00527 0.05255 0.03149 -0.03663 34 2S -0.08766 -0.06932 -0.08889 0.07044 -0.00682 35 5 C 1S 0.02313 -0.00316 -0.00734 -0.00399 0.00808 36 2S 0.09866 0.06939 -0.30712 -0.10962 0.07300 37 2PX 0.01210 -0.02441 0.06981 0.07506 0.03977 38 2PY 0.01151 0.00226 -0.00267 -0.03036 -0.07377 39 2PZ -0.00489 0.00902 -0.05331 -0.03748 -0.03017 40 3S -0.79231 0.16781 0.41435 -0.71705 -0.26361 41 3PX 0.29140 -0.11874 -0.28619 0.31690 0.12808 42 3PY -0.16443 0.05113 -0.02293 -0.10314 0.01806 43 3PZ -0.25285 0.17675 0.13726 -0.37510 -0.06628 44 4XX -0.06412 -0.00727 0.09881 -0.04632 -0.02844 45 4YY 0.12246 0.01324 -0.00130 0.04092 -0.06500 46 4ZZ -0.05462 -0.02210 -0.01850 0.00892 0.08391 47 4XY -0.02761 -0.08734 0.08462 -0.05396 0.08161 48 4XZ 0.32439 -0.02689 -0.11476 -0.08612 0.00656 49 4YZ 0.08075 -0.10157 0.01059 0.01094 -0.03925 50 6 H 1S 0.19284 -0.00539 -0.05261 -0.03172 -0.03751 51 2S -0.08657 0.06930 0.08910 -0.07025 -0.00602 52 7 C 1S -0.05603 0.01412 -0.02274 -0.01260 -0.00746 53 2S -0.13509 0.27725 -0.29525 -0.67664 -0.02049 54 2PX 0.01091 -0.03292 -0.00392 -0.00838 0.03704 55 2PY -0.08247 -0.03926 0.06392 0.15941 -0.00556 56 2PZ 0.07072 0.04787 0.08639 -0.03356 -0.02221 57 3S 1.63822 -0.52049 0.92345 1.33140 0.15390 58 3PX 0.09912 0.08511 -0.32195 0.36679 0.06616 59 3PY -0.40205 0.12755 -0.48640 -0.98452 -0.15578 60 3PZ 0.16307 0.24166 0.24912 -0.14977 -0.07533 61 4XX -0.37602 -0.05348 -0.01676 0.11773 0.03236 62 4YY 0.36549 0.02819 0.03808 -0.00403 -0.18702 63 4ZZ -0.02493 -0.01876 -0.00723 0.07035 0.15757 64 4XY -0.17845 0.01736 -0.06967 0.04219 0.02915 65 4XZ -0.17290 -0.02664 -0.10157 -0.03897 -0.09843 66 4YZ -0.21148 -0.08734 -0.12834 0.10919 0.05401 67 8 H 1S -0.32084 0.03220 -0.05171 0.09889 0.11087 68 2S 0.11797 -0.03083 0.11440 0.25487 0.02807 69 9 C 1S 0.02534 0.01993 0.05255 -0.00481 0.00353 70 2S 0.16100 0.23757 0.42386 -0.09470 -0.24111 71 2PX -0.05143 -0.01958 -0.03168 0.04953 0.03320 72 2PY -0.04645 0.03112 0.05663 -0.04511 0.03150 73 2PZ 0.06811 -0.02881 -0.01286 0.09510 0.10869 74 3S -0.73571 -0.74575 -2.12509 -0.32535 0.06907 75 3PX -0.01826 0.09961 0.48524 -0.90753 -0.19797 76 3PY -0.08324 0.27860 0.64274 0.11259 -0.08502 77 3PZ 0.53057 0.24584 0.90375 -0.32761 -0.21751 78 4XX 0.15858 0.09307 0.01393 0.04802 0.08436 79 4YY 0.09272 -0.09088 -0.18734 0.10927 0.01248 80 4ZZ -0.25525 -0.03804 0.15147 -0.14317 -0.00188 81 4XY 0.03429 -0.02031 0.32893 -0.16344 -0.06070 82 4XZ 0.31597 0.09005 0.41080 -0.42670 -0.02414 83 4YZ 0.11152 -0.03785 -0.06774 -0.10368 0.03737 84 10 H 1S -0.13581 -0.02076 -0.28895 0.42913 0.03857 85 2S -0.06160 -0.07871 -0.13442 0.20584 0.15217 86 11 H 1S 0.07764 0.01575 0.46478 -0.31636 -0.11733 87 2S -0.05132 0.09428 -0.07199 -0.10225 0.06604 88 12 C 1S 0.02750 -0.01997 -0.05254 0.00473 0.00356 89 2S 0.17364 -0.23760 -0.42393 0.09469 -0.24017 90 2PX -0.05128 0.01965 0.03153 -0.04948 0.03285 91 2PY 0.04486 0.03119 0.05665 -0.04501 -0.03169 92 2PZ 0.07189 0.02887 0.01286 -0.09554 0.10844 93 3S -0.83687 0.74624 2.12592 0.32726 0.06712 94 3PX -0.03819 -0.09999 -0.48432 0.90780 -0.19500 95 3PY 0.05674 0.27874 0.64391 0.11193 0.08526 96 3PZ 0.55861 -0.24586 -0.90287 0.32759 -0.21630 97 4XX 0.16552 -0.09294 -0.01351 -0.04894 0.08415 98 4YY 0.08737 0.09061 0.18782 -0.10938 0.01281 99 4ZZ -0.25659 0.03813 -0.15235 0.14412 -0.00216 100 4XY -0.03876 -0.02013 0.32933 -0.16390 0.06097 101 4XZ 0.31723 -0.09047 -0.41003 0.42566 -0.02358 102 4YZ -0.10605 -0.03772 -0.06715 -0.10388 -0.03713 103 13 H 1S 0.08091 -0.01590 -0.46460 0.31624 -0.11674 104 2S -0.05769 -0.09457 0.07174 0.10236 0.06726 105 14 H 1S -0.13062 0.02087 0.28879 -0.42900 0.03824 106 2S -0.05892 0.07894 0.13406 -0.20602 0.15128 107 15 C 1S 0.00892 -0.01127 0.00398 -0.01699 0.03367 108 2S -0.11915 0.51103 0.11214 -0.54533 0.01492 109 2PX -0.03134 -0.09596 -0.00988 0.06901 0.22957 110 2PY -0.02511 0.16262 -0.01949 -0.01120 0.15582 111 2PZ -0.03353 0.09497 0.07583 -0.10280 -0.09662 112 3S -0.07832 -0.01800 -0.83837 1.62174 -0.71755 113 3PX -0.02766 -0.66281 0.75465 0.05499 0.40304 114 3PY 0.07011 0.40146 -0.73979 0.67590 -0.20857 115 3PZ 0.00582 -0.27160 -0.74826 0.52684 -0.53700 116 4XX 0.10370 0.29355 0.01536 0.30070 -0.09022 117 4YY 0.04409 0.23431 -0.00425 -0.03139 0.09104 118 4ZZ -0.07638 -0.62792 -0.04110 -0.17372 0.03566 119 4XY 0.03345 -0.29745 0.31588 0.32450 0.04094 120 4XZ 0.03502 0.02266 0.13636 0.14554 0.39517 121 4YZ -0.02441 -0.11376 0.23685 0.26356 0.00684 122 16 H 1S 0.05352 0.23361 -0.20436 0.01239 0.01940 123 2S 0.02860 0.00333 -0.36728 0.13928 -0.19857 124 17 C 1S 0.00790 0.01124 -0.00396 0.01695 0.03382 125 2S -0.13154 -0.50965 -0.11156 0.54546 0.01733 126 2PX -0.03155 0.09552 0.00966 -0.06961 0.22958 127 2PY 0.02303 0.16246 -0.01927 -0.01104 -0.15466 128 2PZ -0.03438 -0.09445 -0.07581 0.10301 -0.09637 129 3S -0.01964 0.01888 0.83747 -1.62069 -0.72816 130 3PX -0.01972 0.66353 -0.75498 -0.05644 0.40358 131 3PY -0.08902 0.40235 -0.74114 0.67690 0.21558 132 3PZ 0.02002 0.27193 0.74645 -0.52472 -0.53978 133 4XX 0.10170 -0.29389 -0.01440 -0.30021 -0.09037 134 4YY 0.04621 -0.23435 0.00329 0.03029 0.08953 135 4ZZ -0.07538 0.62806 0.04077 0.17428 0.03646 136 4XY -0.02868 -0.29772 0.31629 0.32451 -0.04204 137 4XZ 0.03811 -0.02335 -0.13573 -0.14587 0.39512 138 4YZ 0.02941 -0.11656 0.23707 0.26338 -0.00521 139 18 H 1S 0.05356 -0.23500 0.20512 -0.01214 0.01946 140 2S 0.02959 -0.00310 0.36666 -0.13917 -0.20002 141 19 O 1S 0.00152 0.00301 -0.02140 0.00525 -0.06146 142 2S -0.08265 0.21737 -0.01850 -0.11360 -0.92393 143 2PX -0.02131 -0.00664 0.06433 -0.05070 0.01503 144 2PY -0.01455 0.08682 0.00858 -0.02701 -0.08646 145 2PZ -0.02239 -0.05666 0.02608 0.01071 -0.02248 146 3S 0.11943 -0.43998 0.63037 -0.06829 3.05710 147 3PX 0.05430 0.10932 -0.04491 0.01796 0.25838 148 3PY 0.05222 -0.32779 0.19709 0.05622 1.28060 149 3PZ 0.09600 0.24631 -0.10312 0.03752 -0.01192 150 4XX 0.02791 0.38489 0.11916 0.26141 -0.22166 151 4YY 0.04262 -0.12874 0.07781 0.08041 0.37408 152 4ZZ -0.06207 -0.21878 -0.31357 -0.30783 -0.42542 153 4XY 0.11076 -0.02730 -0.05733 0.04571 0.09074 154 4XZ 0.01007 0.23582 0.06046 -0.03202 -0.31757 155 4YZ 0.20476 0.24660 -0.15957 -0.04121 0.09868 156 20 O 1S 0.00125 -0.00299 0.02147 -0.00512 -0.06143 157 2S -0.07945 -0.21645 0.01904 0.11534 -0.92396 158 2PX -0.01980 0.00680 -0.06433 0.05060 0.01489 159 2PY 0.01379 0.08663 0.00871 -0.02711 0.08671 160 2PZ -0.02176 0.05663 -0.02609 -0.01072 -0.02223 161 3S 0.11181 0.43794 -0.63281 0.06234 3.05763 162 3PX 0.04777 -0.10942 0.04519 -0.01811 0.25945 163 3PY -0.05076 -0.32673 0.19770 0.05859 -1.28078 164 3PZ 0.09432 -0.24657 0.10343 -0.03700 -0.01443 165 4XX 0.02139 -0.38451 -0.11858 -0.26087 -0.22187 166 4YY 0.04445 0.12776 -0.07725 -0.08053 0.37432 167 4ZZ -0.05824 0.21959 0.31280 0.30795 -0.42557 168 4XY -0.11193 -0.02699 -0.05779 0.04541 -0.09087 169 4XZ 0.00510 -0.23563 -0.06019 0.03292 -0.31693 170 4YZ -0.20562 0.24648 -0.16088 -0.04203 -0.09675 171 21 C 1S 0.01004 -0.00005 -0.00004 -0.00007 0.07429 172 2S -0.17422 0.00002 -0.00046 0.00057 -0.43906 173 2PX -0.08380 0.00014 0.00003 0.00039 -0.37915 174 2PY -0.00031 -0.08054 0.00671 0.02814 -0.00019 175 2PZ 0.05886 -0.00023 -0.00004 -0.00036 0.41702 176 3S -0.06289 0.00107 0.00187 0.00185 -2.14710 177 3PX 0.11017 0.00054 0.00091 0.00027 -0.79032 178 3PY -0.00154 -0.05020 0.12112 0.02718 -0.00015 179 3PZ 0.03613 -0.00037 -0.00055 -0.00041 0.57002 180 4XX -0.36904 0.00014 -0.00077 -0.00031 0.10328 181 4YY 0.01288 -0.00013 0.00073 0.00049 0.02708 182 4ZZ 0.41644 -0.00012 0.00015 -0.00043 0.04200 183 4XY -0.00239 -0.03663 -0.16072 -0.09192 -0.00028 184 4XZ 0.04212 -0.00038 -0.00047 -0.00042 0.56713 185 4YZ -0.00117 0.00427 -0.31416 -0.17786 -0.00044 186 22 H 1S 0.21972 -0.00005 0.00045 0.00005 -0.01730 187 2S -0.01294 0.00006 -0.00012 -0.00025 0.04495 188 23 H 1S -0.23296 0.00000 -0.00054 -0.00003 0.09796 189 2S 0.09432 -0.00005 0.00034 -0.00015 0.06391 166 167 168 169 170 V V V V V Eigenvalues -- 2.62740 2.64517 2.67570 2.69296 2.69442 1 1 C 1S -0.05656 0.05200 0.01594 -0.00471 -0.00402 2 2S 0.00867 0.62640 0.01405 0.19161 -0.07543 3 2PX 0.17996 -0.13292 -0.07431 -0.14840 -0.18065 4 2PY 0.15260 0.03905 -0.04984 0.03232 -0.06963 5 2PZ -0.10533 0.11462 0.06748 0.13049 0.25653 6 3S 1.48631 -3.28703 -0.56409 -0.85864 -0.09516 7 3PX 0.28910 -0.49584 -0.24039 -0.11801 -0.61257 8 3PY 0.66316 -1.77103 -0.22542 -0.51098 -0.00222 9 3PZ -0.09792 0.14018 -0.18497 0.13498 0.86134 10 4XX 0.03671 0.08801 -0.19035 -0.30853 -0.20049 11 4YY -0.39024 -0.18192 -0.02262 -0.14662 -0.24130 12 4ZZ 0.29625 0.00284 0.14675 0.35585 0.38496 13 4XY 0.19837 -0.21248 -0.07164 -0.10507 -0.43250 14 4XZ -0.63410 0.23632 0.05463 0.08953 0.03304 15 4YZ -0.18532 0.10363 -0.17726 -0.00774 0.52166 16 2 H 1S 0.20386 0.05722 0.01545 0.07373 0.12115 17 2S 0.03349 -0.33829 -0.13675 -0.13302 -0.05341 18 3 C 1S 0.03620 -0.09134 0.00243 -0.05616 -0.02074 19 2S -0.07678 -0.29554 0.03092 -0.05979 0.08346 20 2PX 0.27656 -0.11567 -0.01075 -0.03481 -0.16073 21 2PY 0.27678 0.18440 -0.12173 0.22426 -0.04209 22 2PZ -0.20664 0.07130 0.02481 0.05138 0.16093 23 3S -0.94712 4.83746 -0.18362 2.12128 0.87168 24 3PX 0.41000 -1.32341 -0.09802 -0.46057 -0.31916 25 3PY 0.05861 1.45588 -0.45592 0.72958 -0.43241 26 3PZ -0.38808 1.40997 0.32052 0.37739 0.27250 27 4XX -0.07552 -0.19361 -0.09694 -0.36700 0.14438 28 4YY -0.08822 0.44815 -0.24072 0.43720 -0.22515 29 4ZZ 0.16272 -0.23891 0.26508 -0.09109 0.20018 30 4XY -0.31780 -0.10219 0.11004 -0.11185 0.10903 31 4XZ 0.23970 -0.46473 -0.11102 -0.18941 -0.38809 32 4YZ 0.24474 0.23593 -0.32470 -0.28354 -0.12735 33 4 H 1S -0.10026 -0.20974 0.07940 -0.01275 -0.11785 34 2S -0.07710 0.56218 -0.02362 0.13228 0.09966 35 5 C 1S 0.03680 0.09115 -0.00234 0.05436 -0.02489 36 2S -0.07489 0.29598 -0.03132 0.06568 0.07929 37 2PX 0.27728 0.11416 0.01170 0.02206 -0.16312 38 2PY -0.27385 0.18593 -0.12285 0.22750 0.02520 39 2PZ -0.20713 -0.06996 -0.02560 -0.03839 0.16434 40 3S -0.97498 -4.83082 0.18217 -2.04705 1.02497 41 3PX 0.41677 1.31988 0.09920 0.43348 -0.35284 42 3PY -0.04621 1.46003 -0.45433 0.76095 0.37792 43 3PZ -0.39378 -1.40454 -0.32197 -0.35313 0.30025 44 4XX -0.07536 0.19384 0.09696 0.37691 0.11692 45 4YY -0.09157 -0.44891 0.24073 -0.45224 -0.19336 46 4ZZ 0.16569 0.23953 -0.26472 0.10515 0.19339 47 4XY 0.31756 -0.10364 0.11082 -0.11964 -0.09987 48 4XZ 0.24233 0.46264 0.11150 0.15922 -0.40196 49 4YZ -0.24258 0.23625 -0.32435 -0.27345 0.14758 50 6 H 1S -0.09935 0.20986 -0.08014 0.00403 -0.11843 51 2S -0.08003 -0.56139 0.02364 -0.12406 0.10888 52 7 C 1S -0.05668 -0.05166 -0.01620 0.00459 -0.00432 53 2S 0.00629 -0.62597 -0.01423 -0.19698 -0.06154 54 2PX 0.18094 0.13196 0.07446 0.13403 -0.19135 55 2PY -0.15178 0.04012 -0.04995 0.03824 0.06659 56 2PZ -0.10611 -0.11405 -0.06728 -0.11065 0.26573 57 3S 1.49873 3.27635 0.56977 0.84351 -0.15818 58 3PX 0.29107 0.49635 0.24103 0.07151 -0.62032 59 3PY -0.66998 -1.76537 -0.22877 -0.50626 0.03747 60 3PZ -0.10025 -0.14216 0.18707 -0.07185 0.86938 61 4XX 0.03643 -0.08673 0.19041 0.29353 -0.22460 62 4YY -0.39045 0.18167 0.02018 0.12845 -0.24927 63 4ZZ 0.29682 -0.00360 -0.14487 -0.32698 0.40994 64 4XY -0.19766 -0.21114 -0.07113 -0.07138 0.43932 65 4XZ -0.63590 -0.23370 -0.05730 -0.08513 0.04131 66 4YZ 0.18412 0.10273 -0.17788 -0.04575 -0.52049 67 8 H 1S 0.20366 -0.05725 -0.01381 -0.06456 0.12640 68 2S 0.03451 0.33713 0.13673 0.12803 -0.06322 69 9 C 1S 0.02361 0.02583 -0.04794 0.00256 0.04185 70 2S 0.04034 -0.03681 -0.01579 0.28782 -0.05239 71 2PX -0.04965 -0.01430 0.02146 -0.01153 -0.06503 72 2PY -0.11816 0.01585 -0.20983 0.01658 -0.08337 73 2PZ 0.11413 0.11220 0.02086 -0.06259 0.18668 74 3S -0.49566 -1.44359 0.82789 -0.92131 -0.77560 75 3PX 0.03289 -0.28903 -0.31636 0.25414 -0.08024 76 3PY 0.04428 0.42306 -0.69475 0.42432 -0.21532 77 3PZ 0.33273 0.32241 0.11598 0.23382 0.45280 78 4XX 0.20484 0.11974 -0.36858 -0.11891 0.23237 79 4YY -0.04677 -0.07516 0.65270 -0.01703 0.13037 80 4ZZ -0.11123 0.03927 -0.40802 0.02257 -0.29341 81 4XY 0.00367 0.01509 0.08478 0.15797 -0.08332 82 4XZ -0.00099 -0.04260 0.02787 -0.12911 0.16687 83 4YZ 0.20582 -0.04457 -0.11678 -0.32177 0.26698 84 10 H 1S -0.06365 0.07382 0.10656 0.08800 -0.03899 85 2S -0.05861 0.03271 0.01676 -0.15883 -0.02525 86 11 H 1S -0.02338 0.01125 0.07774 0.16752 -0.04192 87 2S 0.04330 -0.05027 -0.15064 0.06073 -0.04831 88 12 C 1S 0.02329 -0.02598 0.04816 0.00044 0.04175 89 2S 0.03928 0.03564 0.01565 -0.29165 -0.03096 90 2PX -0.04949 0.01459 -0.02180 0.00682 -0.06598 91 2PY 0.11890 0.01531 -0.20906 0.02210 0.08214 92 2PZ 0.11420 -0.11253 -0.02020 0.07605 0.18144 93 3S -0.48342 1.44772 -0.83228 0.86398 -0.83807 94 3PX 0.03016 0.28938 0.31646 -0.25971 -0.06141 95 3PY -0.03898 0.42432 -0.69409 0.43974 0.18406 96 3PZ 0.33054 -0.32445 -0.11419 -0.20116 0.46957 97 4XX 0.20317 -0.12057 0.36993 0.13489 0.22111 98 4YY -0.04329 0.07538 -0.65202 0.02785 0.13107 99 4ZZ -0.11349 -0.03868 0.40650 -0.04452 -0.29198 100 4XY -0.00254 0.01517 0.08570 0.16390 0.07099 101 4XZ 0.00027 0.04206 -0.02712 0.14138 0.15816 102 4YZ -0.20641 -0.04353 -0.12032 -0.33965 -0.24081 103 13 H 1S -0.02398 -0.01156 -0.07790 -0.17043 -0.02865 104 2S 0.04235 0.05067 0.15054 -0.06396 -0.04418 105 14 H 1S -0.06347 -0.07348 -0.10694 -0.09028 -0.03252 106 2S -0.05773 -0.03233 -0.01707 0.15705 -0.03756 107 15 C 1S -0.00052 -0.03919 -0.02974 0.03031 0.00075 108 2S -0.05764 -0.17701 -0.08315 0.11007 -0.00161 109 2PX -0.10465 0.08536 0.01825 -0.00617 0.00641 110 2PY -0.02380 0.24176 0.18959 -0.23504 0.00790 111 2PZ 0.02044 -0.06652 -0.03207 0.03654 -0.02373 112 3S 0.21921 1.67014 1.23721 -1.21896 -0.03218 113 3PX -0.08533 -0.03189 -0.12153 -0.01670 0.00551 114 3PY -0.04321 0.88988 0.76039 -0.74648 0.08022 115 3PZ 0.09688 0.46059 0.27645 -0.09613 0.02427 116 4XX 0.01312 -0.21814 -0.22583 0.23786 -0.01856 117 4YY -0.00290 0.43691 0.37392 -0.48089 0.02374 118 4ZZ 0.05157 -0.17919 -0.11243 0.16517 -0.01492 119 4XY -0.01035 -0.10118 -0.03291 -0.02146 -0.02923 120 4XZ -0.14091 0.13185 -0.01492 0.02457 -0.00928 121 4YZ 0.00096 0.05204 0.13446 -0.15479 0.03218 122 16 H 1S -0.05700 0.00406 -0.07152 0.11197 -0.01326 123 2S 0.02556 0.19569 0.19789 -0.15256 0.07297 124 17 C 1S -0.00074 0.03922 0.02972 -0.03015 0.00295 125 2S -0.05897 0.17765 0.08282 -0.10833 0.00687 126 2PX -0.10537 -0.08441 -0.01843 0.00653 0.00607 127 2PY 0.02282 0.24081 0.18953 -0.23511 0.00879 128 2PZ 0.02043 0.06675 0.03246 -0.03836 -0.02099 129 3S 0.22947 -1.67174 -1.23582 1.21145 -0.12319 130 3PX -0.08668 0.03305 0.12138 0.01735 0.00573 131 3PY 0.03836 0.89217 0.76119 -0.74960 -0.02457 132 3PZ 0.09895 -0.46044 -0.27424 0.09425 0.01531 133 4XX 0.01244 0.21760 0.22592 -0.23873 -0.00204 134 4YY -0.00115 -0.43737 -0.37454 0.48193 -0.01032 135 4ZZ 0.05086 0.17954 0.11309 -0.16671 -0.00299 136 4XY 0.01050 -0.10091 -0.03273 -0.01968 0.03085 137 4XZ -0.14166 -0.13095 0.01411 -0.02460 -0.00722 138 4YZ -0.00237 0.05011 0.13280 -0.15472 -0.02126 139 18 H 1S -0.05778 -0.00452 0.07085 -0.11224 -0.00554 140 2S 0.02665 -0.19633 -0.19735 0.15651 0.06108 141 19 O 1S 0.01851 -0.02786 -0.01414 0.01328 0.00054 142 2S 0.21299 -0.11844 -0.06457 0.19382 0.09392 143 2PX -0.00917 0.04502 0.02455 -0.00764 0.01160 144 2PY 0.01341 0.02119 0.01447 -0.01863 0.00665 145 2PZ -0.00159 -0.01143 -0.01159 0.01819 0.00363 146 3S -0.78340 0.40199 0.19113 -0.51863 -0.25843 147 3PX -0.09364 -0.18548 -0.13910 0.10634 0.02056 148 3PY -0.29121 0.22202 0.11250 -0.22248 -0.14278 149 3PZ 0.03244 0.07117 0.08070 -0.13884 -0.07979 150 4XX 0.04058 -0.11753 -0.07640 0.06087 0.04626 151 4YY -0.06713 0.13533 0.09150 -0.16320 -0.09363 152 4ZZ 0.11375 -0.10263 -0.04255 0.08639 0.04005 153 4XY -0.05729 -0.05723 -0.08119 0.10618 0.03055 154 4XZ 0.08934 -0.21131 -0.10426 0.09098 -0.02358 155 4YZ -0.01708 0.08594 0.06949 -0.10165 -0.03654 156 20 O 1S 0.01855 0.02768 0.01421 -0.01324 0.00140 157 2S 0.21374 0.11660 0.06617 -0.18814 0.10737 158 2PX -0.00908 -0.04485 -0.02453 0.00848 0.01125 159 2PY -0.01359 0.02124 0.01423 -0.01859 -0.00526 160 2PZ -0.00181 0.01130 0.01155 -0.01795 0.00490 161 3S -0.78625 -0.39488 -0.19619 0.50322 -0.29270 162 3PX -0.09481 0.18599 0.13864 -0.10398 0.02810 163 3PY 0.29202 0.21930 0.11500 -0.21454 0.15773 164 3PZ 0.03393 -0.07078 -0.08045 0.13236 -0.08955 165 4XX 0.04062 0.11724 0.07720 -0.05831 0.05020 166 4YY -0.06703 -0.13545 -0.09310 0.15846 -0.10529 167 4ZZ 0.11398 0.10226 0.04367 -0.08487 0.04618 168 4XY 0.05770 -0.05780 -0.08105 0.10329 -0.03804 169 4XZ 0.08977 0.20997 0.10416 -0.09155 -0.01745 170 4YZ 0.01648 0.08549 0.06937 -0.09827 0.04347 171 21 C 1S -0.01676 0.00007 -0.00006 -0.00039 -0.01205 172 2S 0.00900 -0.00008 0.00028 -0.00132 -0.01419 173 2PX 0.06132 -0.00032 0.00028 0.00097 0.03738 174 2PY 0.00006 0.25163 0.17478 -0.26562 0.00943 175 2PZ -0.08962 0.00062 -0.00023 -0.00221 -0.06556 176 3S 0.59899 -0.00281 0.00194 0.01395 0.41467 177 3PX 0.27664 -0.00100 0.00113 0.00812 0.24174 178 3PY -0.00006 0.35155 0.23154 -0.32572 0.01155 179 3PZ -0.12380 0.00087 -0.00027 -0.00147 -0.04749 180 4XX 0.00343 0.00043 0.00013 -0.00117 -0.02285 181 4YY -0.01666 0.00009 -0.00008 0.00082 0.00869 182 4ZZ 0.00404 -0.00044 -0.00009 0.00149 0.03930 183 4XY 0.00006 0.26261 0.17517 -0.26196 0.00938 184 4XZ -0.14420 0.00072 -0.00050 -0.00291 -0.09199 185 4YZ 0.00010 -0.26593 -0.18243 0.26964 -0.00957 186 22 H 1S -0.00072 -0.00017 -0.00001 0.00096 0.02308 187 2S 0.02556 0.00014 0.00022 0.00137 0.04216 188 23 H 1S -0.03126 0.00020 -0.00020 -0.00190 -0.05768 189 2S -0.06388 0.00018 -0.00009 -0.00143 -0.03425 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76595 2.80387 2.86686 2.87992 1 1 C 1S -0.07986 -0.00403 -0.01694 -0.00219 -0.01092 2 2S -0.83750 -0.03200 -0.48244 -0.16633 -0.07334 3 2PX 0.12903 0.01634 0.04262 -0.00106 0.02484 4 2PY 0.01624 0.00277 -0.08052 -0.02812 0.00851 5 2PZ 0.01721 -0.01854 -0.09834 0.04602 -0.02247 6 3S 4.27981 0.15011 1.05657 0.35899 0.44532 7 3PX 0.17116 0.02276 0.05155 -0.08387 0.04761 8 3PY 1.92125 0.02531 0.68666 0.18275 0.15644 9 3PZ 0.39850 -0.11427 -0.18523 0.05365 -0.17520 10 4XX -0.24060 0.02719 0.18533 -0.02004 0.03304 11 4YY 0.17022 0.01083 0.00249 0.02491 0.00321 12 4ZZ 0.29028 -0.03113 -0.05352 0.06310 -0.02636 13 4XY 0.19856 0.02960 -0.03047 -0.01948 0.04615 14 4XZ -0.28962 0.00015 0.04654 -0.01717 -0.03651 15 4YZ 0.07320 -0.02841 -0.12952 0.04433 -0.04075 16 2 H 1S -0.11662 -0.02535 0.04130 -0.01883 -0.02170 17 2S 0.44652 0.01537 0.11984 0.05353 0.03656 18 3 C 1S 0.03643 0.00310 0.00782 0.00507 0.00692 19 2S 0.29454 0.05920 0.04144 -0.01543 0.13534 20 2PX 0.12040 0.00258 0.03293 0.00524 0.01203 21 2PY 0.19089 0.00754 0.00841 -0.03250 0.04057 22 2PZ -0.08415 -0.01734 -0.01735 0.00478 -0.02922 23 3S -3.14684 -0.19851 -1.03474 -0.26873 -0.42589 24 3PX 1.23047 0.07928 0.40670 0.03802 0.19580 25 3PY -0.53473 0.05401 -0.22229 -0.14425 0.04450 26 3PZ -1.31532 -0.01917 -0.38901 -0.03337 -0.09488 27 4XX -0.22835 -0.02221 0.00535 0.01811 -0.04955 28 4YY 0.29266 0.00168 -0.00569 -0.04837 -0.01506 29 4ZZ -0.05868 -0.00923 -0.01541 0.05290 0.00241 30 4XY -0.06511 -0.00886 0.03108 0.01537 -0.02477 31 4XZ 0.34550 0.03647 0.02861 -0.03098 0.06137 32 4YZ -0.19994 0.00549 0.01922 -0.04922 0.01972 33 4 H 1S 0.12376 0.02173 -0.01167 0.00239 0.02002 34 2S -0.42567 0.00075 -0.13477 -0.01612 -0.02756 35 5 C 1S -0.03643 0.00336 -0.00786 -0.00507 0.00696 36 2S -0.29363 0.06071 -0.04152 0.01535 0.13552 37 2PX -0.12058 0.00323 -0.03313 -0.00519 0.01183 38 2PY 0.19031 -0.00805 0.00865 -0.03256 -0.03979 39 2PZ 0.08436 -0.01786 0.01766 -0.00481 -0.02904 40 3S 3.14430 -0.21744 1.03532 0.26919 -0.42707 41 3PX -1.22930 0.08603 -0.40706 -0.03805 0.19499 42 3PY -0.53803 -0.04959 -0.22358 -0.14404 -0.04154 43 3PZ 1.31312 -0.02594 0.38885 0.03302 -0.09408 44 4XX 0.22861 -0.02271 -0.00549 -0.01800 -0.04901 45 4YY -0.29246 0.00239 0.00584 0.04845 -0.01607 46 4ZZ 0.05767 -0.00939 0.01546 -0.05303 0.00290 47 4XY -0.06382 0.00876 0.03091 0.01526 0.02421 48 4XZ -0.34489 0.03828 -0.02885 0.03103 0.06089 49 4YZ -0.20091 -0.00491 0.01946 -0.04902 -0.01911 50 6 H 1S -0.12355 0.02234 0.01173 -0.00246 0.02013 51 2S 0.42527 -0.00152 0.13491 0.01607 -0.02759 52 7 C 1S 0.07980 -0.00442 0.01703 0.00218 -0.01091 53 2S 0.83719 -0.03703 0.48211 0.16633 -0.07340 54 2PX -0.12912 0.01715 -0.04229 0.00103 0.02446 55 2PY 0.01595 -0.00255 -0.08058 -0.02805 -0.00822 56 2PZ -0.01708 -0.01875 0.09854 -0.04601 -0.02200 57 3S -4.27590 0.17267 -1.05835 -0.35858 0.44459 58 3PX -0.17373 0.02327 -0.05221 0.08345 0.04660 59 3PY 1.91974 -0.03585 0.68755 0.18259 -0.15614 60 3PZ -0.39570 -0.11243 0.18573 -0.05248 -0.17377 61 4XX 0.23922 0.02696 -0.18592 0.01999 0.03282 62 4YY -0.16874 0.01173 -0.00157 -0.02505 0.00294 63 4ZZ -0.29020 -0.03031 0.05338 -0.06287 -0.02602 64 4XY 0.19880 -0.03058 -0.03044 -0.01933 -0.04561 65 4XZ 0.28909 -0.00139 -0.04582 0.01680 -0.03654 66 4YZ 0.07369 0.02819 -0.12965 0.04417 0.03984 67 8 H 1S 0.11581 -0.02594 -0.04168 0.01883 -0.02163 68 2S -0.44572 0.01795 -0.11990 -0.05346 0.03669 69 9 C 1S -0.03528 -0.00437 0.01176 -0.00770 -0.00607 70 2S -0.21491 -0.04610 0.27635 -0.03897 0.02161 71 2PX 0.06082 0.00907 -0.05045 0.01272 -0.01714 72 2PY 0.12114 0.01025 -0.03995 0.01735 -0.00870 73 2PZ -0.20583 -0.00047 -0.06670 -0.02570 -0.00314 74 3S 2.28218 0.11836 -0.19904 0.33485 0.04015 75 3PX 0.34251 -0.03170 0.49670 -0.02476 0.05205 76 3PY 0.21185 0.01803 -0.04653 -0.02013 0.04474 77 3PZ -0.97181 -0.04358 0.40331 -0.15939 0.01800 78 4XX -0.01256 -0.00320 -0.06125 -0.01234 -0.01500 79 4YY -0.35518 -0.00755 0.13328 -0.04034 -0.02478 80 4ZZ 0.36163 0.01908 -0.14073 0.04822 0.00273 81 4XY 0.04714 0.00776 -0.04533 0.00382 0.02312 82 4XZ -0.17479 0.00276 0.08602 -0.02010 0.01372 83 4YZ -0.15848 -0.01564 0.03265 -0.01510 -0.01004 84 10 H 1S -0.08228 -0.00700 -0.06366 -0.00164 -0.02122 85 2S -0.07238 0.01805 -0.22390 0.01489 -0.02822 86 11 H 1S -0.09106 0.00583 0.11180 -0.02474 0.02023 87 2S -0.08295 -0.05607 0.10173 -0.00530 0.00225 88 12 C 1S 0.03531 -0.00453 -0.01176 0.00773 -0.00607 89 2S 0.21566 -0.04726 -0.27640 0.03921 0.02163 90 2PX -0.06108 0.00932 0.05055 -0.01281 -0.01700 91 2PY 0.12100 -0.01067 -0.04013 0.01735 0.00840 92 2PZ 0.20604 -0.00146 0.06661 0.02584 -0.00332 93 3S -2.28405 0.13071 0.19972 -0.33619 0.04030 94 3PX -0.34401 -0.02988 -0.49658 0.02461 0.05162 95 3PY 0.20977 -0.01840 -0.04608 -0.02007 -0.04591 96 3PZ 0.97338 -0.04811 -0.40417 0.15981 0.01684 97 4XX 0.01226 -0.00316 0.06143 0.01236 -0.01483 98 4YY 0.35577 -0.00894 -0.13336 0.04045 -0.02567 99 4ZZ -0.36223 0.02053 0.14068 -0.04843 0.00351 100 4XY 0.04673 -0.00764 -0.04521 0.00379 -0.02322 101 4XZ 0.17594 0.00214 -0.08629 0.02034 0.01332 102 4YZ -0.15709 0.01580 0.03226 -0.01509 0.01012 103 13 H 1S 0.09132 0.00526 -0.11184 0.02479 0.02006 104 2S 0.08216 -0.05665 -0.10180 0.00553 0.00215 105 14 H 1S 0.08217 -0.00756 0.06377 0.00164 -0.02111 106 2S 0.07235 0.01762 0.22406 -0.01486 -0.02792 107 15 C 1S 0.02047 0.02603 0.10186 -0.01591 0.02804 108 2S 0.15056 -0.09252 0.64178 0.06157 -0.18683 109 2PX 0.04752 0.25693 0.27622 0.09530 0.32215 110 2PY 0.13925 0.17840 -0.23322 0.28253 0.08277 111 2PZ -0.05943 -0.16142 -0.03115 -0.07230 -0.22892 112 3S -1.08097 -0.60429 -5.68224 0.43178 -0.97151 113 3PX 0.11884 0.18859 0.75613 0.02164 0.36989 114 3PY -0.02790 0.16286 -2.30449 0.29571 0.32745 115 3PZ -0.50521 -0.19447 -1.89810 -0.01263 -0.33065 116 4XX -0.21047 -0.03638 0.18676 -0.23064 -0.22074 117 4YY 0.32747 -0.04617 -0.47782 0.55800 0.21486 118 4ZZ -0.03519 0.09107 0.11850 -0.30938 -0.07947 119 4XY -0.04372 -0.25544 -0.00859 0.44793 -0.13317 120 4XZ 0.00926 0.18743 0.42180 0.10703 0.37880 121 4YZ 0.05564 0.18797 -0.39050 -0.50400 0.10534 122 16 H 1S -0.04890 -0.02711 0.25057 0.27637 0.05051 123 2S 0.04089 0.05110 -0.71729 -0.10456 0.01781 124 17 C 1S -0.02040 0.02621 -0.10188 0.01586 0.02801 125 2S -0.15220 -0.09029 -0.64237 -0.06176 -0.18651 126 2PX -0.04605 0.25708 -0.27619 -0.09544 0.32181 127 2PY 0.13865 -0.17856 -0.23399 0.28277 -0.08258 128 2PZ 0.05880 -0.16168 0.03029 0.07310 -0.22865 129 3S 1.07933 -0.61503 5.68265 -0.43093 -0.96873 130 3PX -0.11839 0.19027 -0.75590 -0.02162 0.37036 131 3PY -0.03129 -0.16084 -2.30753 0.29595 -0.32775 132 3PZ 0.50559 -0.19984 1.89250 0.01328 -0.33075 133 4XX 0.21069 -0.03839 -0.18595 0.23077 -0.22147 134 4YY -0.32773 -0.04382 0.47880 -0.55599 0.21638 135 4ZZ 0.03566 0.09103 -0.12018 0.30705 -0.07985 136 4XY -0.04245 0.25706 -0.00707 0.44682 0.13171 137 4XZ -0.00884 0.18816 -0.42115 -0.10580 0.37871 138 4YZ 0.05358 -0.18949 -0.38871 -0.50552 -0.10456 139 18 H 1S 0.04889 -0.02826 -0.24980 -0.27578 0.05022 140 2S -0.03995 0.05112 0.71589 0.10411 0.01795 141 19 O 1S -0.02208 -0.04836 -0.03133 0.03046 0.00134 142 2S -0.42741 -0.32722 -0.85492 0.04192 0.00670 143 2PX -0.00661 -0.00134 -0.05068 -0.03000 -0.04381 144 2PY 0.00647 0.07688 -0.04201 -0.02997 0.05007 145 2PZ -0.01046 0.00327 0.01558 0.02249 0.03258 146 3S 1.35772 1.34629 2.86607 -0.44365 -0.01949 147 3PX 0.11376 0.25809 0.65446 0.18023 1.07671 148 3PY 0.45606 0.16973 0.97025 -0.06255 -0.43967 149 3PZ 0.05604 -0.12623 -0.17069 -0.15491 -0.86952 150 4XX -0.07316 0.23338 0.02358 -0.04101 0.31445 151 4YY 0.16904 -0.51252 0.23121 0.15230 -0.30301 152 4ZZ -0.09828 0.06986 -0.25481 0.07162 0.05327 153 4XY -0.11113 -0.11304 0.06504 0.43330 0.65027 154 4XZ -0.16235 -0.60747 -0.24055 0.17765 -0.18637 155 4YZ 0.13789 0.13841 0.13058 -0.28938 -0.54338 156 20 O 1S 0.02189 -0.04869 0.03122 -0.03029 0.00139 157 2S 0.42687 -0.33137 0.85314 -0.04193 0.00719 158 2PX 0.00656 -0.00124 0.05079 0.02981 -0.04386 159 2PY 0.00582 -0.07710 -0.04183 -0.02971 -0.05007 160 2PZ 0.01058 0.00298 -0.01571 -0.02242 0.03255 161 3S -1.35429 1.36079 -2.86024 0.44170 -0.02149 162 3PX -0.11280 0.25806 -0.65508 -0.17971 1.07629 163 3PY 0.45729 -0.17427 0.96706 -0.06306 0.44225 164 3PZ -0.05614 -0.12499 0.17282 0.15448 -0.86832 165 4XX 0.07491 0.23262 -0.02408 0.04069 0.31476 166 4YY -0.17322 -0.51056 -0.23121 -0.14924 -0.30507 167 4ZZ 0.09981 0.06802 0.25502 -0.07330 0.05501 168 4XY -0.11062 0.11703 0.06529 0.43264 -0.64989 169 4XZ 0.15905 -0.60917 0.23948 -0.17524 -0.18701 170 4YZ 0.13687 -0.14233 0.12904 -0.28859 0.54267 171 21 C 1S 0.00004 0.02773 0.00011 -0.00005 -0.07866 172 2S 0.00064 -0.01874 -0.00056 -0.00012 0.25252 173 2PX 0.00017 -0.05931 -0.00043 0.00009 0.29584 174 2PY 0.39083 -0.00273 0.51814 -0.34035 0.00068 175 2PZ 0.00023 0.07556 0.00101 -0.00036 -0.32714 176 3S -0.00086 -0.75675 -0.00254 0.00129 2.15244 177 3PX 0.00022 -0.00933 -0.00080 -0.00016 0.37843 178 3PY 0.38411 -0.00257 0.28892 -0.32210 0.00046 179 3PZ -0.00008 -0.03194 0.00023 -0.00013 -0.35517 180 4XX 0.00096 0.39423 0.00043 -0.00066 -0.35307 181 4YY -0.00159 -0.74228 -0.00015 0.00092 0.56672 182 4ZZ 0.00060 0.40234 0.00002 -0.00030 -0.24818 183 4XY 0.35247 -0.00173 0.39848 -0.12380 0.00015 184 4XZ -0.00037 -0.14355 0.00064 0.00021 -0.16513 185 4YZ -0.31657 0.00088 -0.32455 0.27958 0.00073 186 22 H 1S -0.00024 -0.07781 -0.00012 0.00010 0.00241 187 2S 0.00037 0.16848 0.00006 -0.00034 -0.15178 188 23 H 1S -0.00032 -0.09322 0.00000 0.00017 -0.05893 189 2S 0.00061 0.22025 0.00062 -0.00043 -0.15268 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10579 3.13118 4.00625 4.10573 1 1 C 1S -0.00268 -0.00732 0.05165 0.01881 0.02680 2 2S 0.22329 -0.37753 0.09994 -0.25495 -0.58490 3 2PX 0.21122 0.01245 -0.17934 0.02142 0.05964 4 2PY 0.14455 -0.05424 -0.05589 -0.00589 -0.00041 5 2PZ -0.24013 -0.02614 0.11052 -0.02749 -0.03781 6 3S 0.36151 0.85205 -1.91580 0.29082 1.22912 7 3PX 0.85921 -0.08797 -0.11678 0.05114 -0.09068 8 3PY -0.03396 0.47465 -0.86126 0.18096 0.81123 9 3PZ -1.13001 0.03598 -0.21971 -0.07105 0.20602 10 4XX 0.15665 0.07155 -0.09802 0.13855 0.26293 11 4YY 0.04421 0.11079 0.46059 0.10360 0.20364 12 4ZZ -0.17180 -0.02600 -0.34402 0.09674 0.23445 13 4XY 0.39116 -0.01026 0.01616 0.03128 0.01392 14 4XZ -0.17174 0.07747 0.44790 -0.01473 -0.08619 15 4YZ -0.46140 0.01169 0.00176 -0.04407 0.00791 16 2 H 1S -0.03111 -0.04432 -0.20529 -0.01775 -0.00203 17 2S -0.00285 0.14006 -0.04771 0.08698 0.23863 18 3 C 1S 0.00098 0.00433 -0.05716 -0.03376 -0.00811 19 2S -0.02764 0.22691 0.08205 0.31025 0.38973 20 2PX 0.17658 -0.01772 -0.08625 0.02373 0.02803 21 2PY 0.40596 -0.01751 0.07845 0.03280 -0.02168 22 2PZ -0.16351 -0.00499 0.04937 -0.03622 -0.03571 23 3S 0.11087 -1.02752 2.10684 -0.18794 -1.45366 24 3PX 0.67959 0.37071 -0.62029 0.11941 0.55494 25 3PY 1.46998 -0.34267 0.58749 0.03510 -0.60779 26 3PZ -0.45907 -0.21268 0.71576 -0.05034 -0.45568 27 4XX -0.35247 -0.04157 -0.14097 -0.18774 -0.14669 28 4YY 0.64412 -0.00409 0.38905 -0.14204 -0.21825 29 4ZZ -0.26132 -0.05637 -0.35691 -0.15335 -0.09691 30 4XY -0.27818 0.13542 0.55046 -0.01530 -0.01988 31 4XZ 0.38689 0.03633 -0.02750 0.03902 0.07215 32 4YZ 0.31131 -0.08225 -0.45001 0.01226 0.04286 33 4 H 1S 0.00038 0.07460 0.29573 0.03215 -0.00524 34 2S 0.02809 -0.12664 0.07936 -0.03792 -0.21838 35 5 C 1S -0.00101 -0.00437 0.05711 -0.03380 0.00972 36 2S 0.02709 -0.22672 -0.08192 0.31127 -0.40120 37 2PX -0.17698 0.01767 0.08598 0.02380 -0.02789 38 2PY 0.40563 -0.01743 0.07917 -0.03263 -0.02149 39 2PZ 0.16386 0.00512 -0.04898 -0.03628 0.03543 40 3S -0.11116 1.02772 -2.10564 -0.19138 1.45126 41 3PX -0.68144 -0.37061 0.61949 0.12112 -0.55498 42 3PY 1.46790 -0.34341 0.58909 -0.03443 -0.60896 43 3PZ 0.46122 0.21202 -0.71412 -0.05160 0.45513 44 4XX 0.35331 0.04123 0.13973 -0.18822 0.15318 45 4YY -0.64521 0.00446 -0.38667 -0.14241 0.22405 46 4ZZ 0.26164 0.05607 0.35556 -0.15366 0.10332 47 4XY -0.27666 0.13552 0.55072 0.01521 -0.01972 48 4XZ -0.38753 -0.03612 0.02854 0.03921 -0.07225 49 4YZ 0.30919 -0.08227 -0.45090 -0.01223 0.04285 50 6 H 1S -0.00024 -0.07463 -0.29563 0.03221 0.00444 51 2S -0.02798 0.12662 -0.07924 -0.03840 0.21981 52 7 C 1S 0.00271 0.00740 -0.05159 0.01867 -0.02542 53 2S -0.22319 0.37731 -0.10017 -0.25482 0.57613 54 2PX -0.21140 -0.01223 0.17924 0.02144 -0.05988 55 2PY 0.14381 -0.05429 -0.05526 0.00602 -0.00019 56 2PZ 0.24007 0.02628 -0.11039 -0.02750 0.03781 57 3S -0.36157 -0.85305 1.91395 0.29413 -1.23289 58 3PX -0.85890 0.08782 0.11788 0.05187 0.08938 59 3PY -0.03663 0.47517 -0.86045 -0.18266 0.81102 60 3PZ 1.12960 -0.03553 0.21842 -0.07191 -0.20470 61 4XX -0.15781 -0.07194 0.09838 0.13844 -0.25824 62 4YY -0.04184 -0.11032 -0.46028 0.10307 -0.19795 63 4ZZ 0.17073 0.02631 0.34346 0.09646 -0.22971 64 4XY 0.39053 -0.00995 0.01757 -0.03132 0.01398 65 4XZ 0.17332 -0.07742 -0.44701 -0.01498 0.08658 66 4YZ -0.46122 0.01135 -0.00047 0.04411 0.00827 67 8 H 1S 0.03102 0.04411 0.20516 -0.01764 0.00126 68 2S 0.00280 -0.14011 0.04745 0.08742 -0.23693 69 9 C 1S 0.00106 0.00690 0.03687 0.06645 -0.01543 70 2S -0.06625 0.19574 -0.02990 -0.46024 -0.07283 71 2PX -0.03428 -0.02770 -0.02554 0.01898 0.03801 72 2PY -0.12643 0.00899 -0.05811 0.02753 0.01926 73 2PZ 0.12775 -0.05874 0.14366 0.00926 -0.03072 74 3S -0.24465 -0.11467 -1.19723 -0.20642 0.86749 75 3PX -0.09351 0.34145 -0.16150 -0.12579 0.03427 76 3PY -0.72645 0.15689 0.02029 -0.03457 -0.17277 77 3PZ 0.55308 0.09814 0.32350 0.00258 -0.47765 78 4XX -0.01163 -0.01189 0.20095 0.28849 -0.04940 79 4YY 0.36499 -0.06428 0.00043 0.24051 0.00132 80 4ZZ -0.34528 -0.00601 -0.07807 0.24835 0.04497 81 4XY -0.04044 -0.02388 -0.06221 0.00050 -0.00709 82 4XZ 0.11536 0.00292 -0.01377 0.02084 -0.06500 83 4YZ 0.10647 0.03776 0.31202 0.00147 -0.01841 84 10 H 1S 0.00179 -0.03760 0.01603 -0.02330 0.01801 85 2S 0.00281 -0.13854 0.07825 0.11729 0.06103 86 11 H 1S 0.01109 0.03983 -0.04586 -0.01849 -0.10102 87 2S -0.00870 0.10169 0.09747 -0.03425 0.14611 88 12 C 1S -0.00108 -0.00689 -0.03694 0.06655 0.01689 89 2S 0.06646 -0.19549 0.03004 -0.46123 0.06385 90 2PX 0.03459 0.02764 0.02581 0.01907 -0.03806 91 2PY -0.12617 0.00893 -0.05810 -0.02750 0.01913 92 2PZ -0.12807 0.05872 -0.14399 0.00922 0.03102 93 3S 0.24534 0.11470 1.19830 -0.20528 -0.87195 94 3PX 0.09411 -0.34131 0.16204 -0.12604 -0.03473 95 3PY -0.72587 0.15680 0.02090 0.03516 -0.17332 96 3PZ -0.55429 -0.09807 -0.32387 0.00200 0.47675 97 4XX 0.01187 0.01187 -0.20110 0.28898 0.05512 98 4YY -0.36549 0.06421 -0.00141 0.24104 0.00370 99 4ZZ 0.34545 0.00601 0.07893 0.24876 -0.03947 100 4XY -0.04016 -0.02401 -0.06263 -0.00048 -0.00706 101 4XZ -0.11593 -0.00300 0.01300 0.02079 0.06529 102 4YZ 0.10513 0.03790 0.31218 -0.00157 -0.01861 103 13 H 1S -0.01121 -0.03977 0.04584 -0.01873 0.10045 104 2S 0.00849 -0.10159 -0.09741 -0.03421 -0.14493 105 14 H 1S -0.00175 0.03761 -0.01599 -0.02332 -0.01864 106 2S -0.00276 0.13844 -0.07828 0.11753 -0.05923 107 15 C 1S -0.01525 0.05489 -0.02323 -0.01573 -0.08208 108 2S -0.20053 0.14310 -0.05584 0.24600 0.76429 109 2PX -0.01469 0.40500 -0.06194 0.05274 0.15465 110 2PY 0.06650 0.23620 -0.04001 0.04202 -0.10402 111 2PZ -0.03079 -0.19924 0.03815 -0.00422 -0.06221 112 3S 1.13342 -2.85695 1.07733 -0.87217 -2.54154 113 3PX -0.19136 1.00628 -0.26758 0.33918 1.11947 114 3PY 0.48884 -0.28717 0.34334 0.07275 -0.49059 115 3PZ 0.48651 -1.49326 0.47311 -0.33684 -1.34411 116 4XX -0.03878 -0.30753 0.04763 -0.04328 -0.40193 117 4YY 0.12569 0.24438 -0.03998 -0.07620 -0.50161 118 4ZZ -0.00489 0.00985 -0.03502 -0.05259 -0.37198 119 4XY 0.02592 -0.44198 0.06515 0.08603 0.01233 120 4XZ -0.03184 0.47028 -0.07874 0.05442 0.12124 121 4YZ -0.01444 0.33474 -0.07155 -0.06476 -0.03989 122 16 H 1S 0.01783 -0.14802 0.05657 0.08758 0.06977 123 2S 0.14513 -0.20867 0.09798 -0.04080 -0.39954 124 17 C 1S 0.01519 -0.05503 0.02323 -0.01599 0.08375 125 2S 0.20128 -0.14412 0.05625 0.24820 -0.77625 126 2PX 0.01409 -0.40495 0.06189 0.05300 -0.15523 127 2PY 0.06660 0.23553 -0.04000 -0.04185 -0.10363 128 2PZ 0.03143 0.19929 -0.03812 -0.00454 0.06216 129 3S -1.13188 2.85878 -1.07752 -0.87360 2.53747 130 3PX 0.19077 -1.00634 0.26766 0.33995 -1.11871 131 3PY 0.49059 -0.28976 0.34466 -0.07239 -0.49338 132 3PZ -0.48522 1.49309 -0.47268 -0.33736 1.34266 133 4XX 0.03905 0.30805 -0.04784 -0.04457 0.40948 134 4YY -0.12605 -0.24568 0.04012 -0.07775 0.50804 135 4ZZ 0.00492 -0.00924 0.03485 -0.05368 0.37866 136 4XY 0.02536 -0.44088 0.06497 -0.08584 0.01256 137 4XZ 0.03107 -0.47136 0.07894 0.05432 -0.12132 138 4YZ -0.01467 0.33413 -0.07154 0.06438 -0.03948 139 18 H 1S -0.01806 0.14796 -0.05666 0.08760 -0.07057 140 2S -0.14513 0.20816 -0.09801 -0.04060 0.40038 141 19 O 1S 0.00778 0.00146 -0.00816 -0.38201 -0.40016 142 2S 0.14704 -0.40982 0.13677 -0.38911 -0.57624 143 2PX -0.00756 0.00757 0.00146 -0.05578 -0.07611 144 2PY 0.00940 0.02960 -0.00261 -0.13497 -0.17072 145 2PZ 0.00772 -0.00944 0.00616 0.02048 0.00402 146 3S -0.59175 1.45527 -0.41006 4.65109 5.24393 147 3PX -0.06355 1.36932 -0.28321 0.17976 0.81891 148 3PY -0.20443 -0.03277 -0.06817 0.95503 0.82612 149 3PZ -0.02774 -0.98163 0.16687 -0.01489 -0.39162 150 4XX -0.00184 0.49999 -0.12354 -1.23262 -1.20424 151 4YY -0.04046 -0.38691 0.02778 -1.13331 -1.25955 152 4ZZ 0.04642 0.13340 -0.04526 -1.29710 -1.35638 153 4XY 0.04359 0.42546 -0.07242 -0.03984 0.14541 154 4XZ 0.02134 -0.40001 0.06599 -0.08276 -0.23240 155 4YZ -0.07241 -0.38151 0.05809 0.08602 -0.07030 156 20 O 1S -0.00778 -0.00148 0.00815 -0.38243 0.39992 157 2S -0.14667 0.41036 -0.13678 -0.38963 0.57608 158 2PX 0.00768 -0.00731 -0.00149 -0.05585 0.07584 159 2PY 0.00956 0.02950 -0.00258 0.13507 -0.17057 160 2PZ -0.00772 0.00937 -0.00617 0.02071 -0.00400 161 3S 0.59089 -1.45568 0.41007 4.65601 -5.24092 162 3PX 0.06158 -1.37011 0.28336 0.18101 -0.81951 163 3PY -0.20503 -0.03508 -0.06777 -0.95565 0.82464 164 3PZ 0.02875 0.98114 -0.16686 -0.01716 0.39280 165 4XX 0.00119 -0.50080 0.12364 -1.23366 1.20262 166 4YY 0.04130 0.38836 -0.02806 -1.13443 1.25944 167 4ZZ -0.04691 -0.13411 0.04525 -1.29877 1.35521 168 4XY 0.04454 0.42450 -0.07230 0.03978 0.14555 169 4XZ -0.02067 0.40085 -0.06612 -0.08310 0.23321 170 4YZ -0.07303 -0.37990 0.05786 -0.08558 -0.07071 171 21 C 1S 0.00004 -0.00002 0.00000 -0.11845 -0.00038 172 2S -0.00022 -0.00001 -0.00003 0.95148 0.00182 173 2PX -0.00023 0.00009 -0.00003 -0.13757 -0.00004 174 2PY -0.14721 -0.36047 0.02400 -0.00011 0.06087 175 2PZ 0.00008 -0.00032 0.00001 0.11876 0.00021 176 3S -0.00146 0.00019 0.00003 -2.06040 0.00192 177 3PX 0.00006 0.00008 0.00015 -0.55642 0.00002 178 3PY -0.11067 -0.80262 0.11839 -0.00078 0.41054 179 3PZ 0.00031 -0.00096 0.00018 0.60132 -0.00001 180 4XX 0.00020 0.00001 -0.00001 -0.55717 -0.00134 181 4YY -0.00046 -0.00059 0.00007 -0.37547 -0.00160 182 4ZZ 0.00025 0.00049 -0.00006 -0.55294 -0.00122 183 4XY -0.09555 -0.36576 0.03359 -0.00002 -0.04189 184 4XZ 0.00002 -0.00042 0.00002 0.05093 -0.00020 185 4YZ 0.09443 0.34639 -0.03858 0.00012 0.11128 186 22 H 1S 0.00008 -0.00001 0.00002 0.22760 0.00009 187 2S 0.00023 -0.00010 0.00009 0.00603 -0.00049 188 23 H 1S -0.00001 0.00004 -0.00003 0.22974 0.00017 189 2S 0.00005 0.00009 -0.00003 -0.03663 -0.00036 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25201 4.26810 4.36205 4.37019 1 1 C 1S -0.10983 -0.06735 -0.02816 -0.12625 -0.19477 2 2S 0.69394 0.34221 0.06350 0.55555 0.68214 3 2PX 0.05165 -0.09105 0.03148 0.00700 0.09420 4 2PY 0.04700 -0.05468 0.00653 -0.02396 -0.04412 5 2PZ -0.00576 0.10244 -0.00144 0.01746 -0.02713 6 3S 0.24303 0.50291 0.05764 0.67332 1.50194 7 3PX 0.03828 0.16192 -0.10860 -0.07526 0.07937 8 3PY 0.00853 0.15532 0.10771 0.09923 0.70569 9 3PZ -0.03852 -0.19911 0.06614 -0.13901 0.01808 10 4XX -0.38275 -0.31891 -0.05049 -0.39937 -0.61662 11 4YY -0.43421 -0.27919 -0.10409 -0.49234 -0.60867 12 4ZZ -0.33132 -0.22041 -0.01432 -0.40408 -0.55289 13 4XY 0.03508 -0.07474 -0.01682 -0.03161 0.05340 14 4XZ -0.07374 0.04731 -0.02942 0.03659 -0.13741 15 4YZ 0.00676 0.09570 0.01755 0.00647 -0.01193 16 2 H 1S 0.06187 0.03227 0.03195 0.04736 0.07646 17 2S -0.09471 -0.01842 0.01538 -0.11243 0.06855 18 3 C 1S -0.19912 0.26111 -0.08434 -0.04464 -0.23407 19 2S 1.36213 -1.42437 0.52436 0.30526 1.44038 20 2PX 0.01088 -0.10545 0.01624 -0.01684 0.05115 21 2PY 0.05840 -0.05475 0.03027 -0.00735 -0.17057 22 2PZ 0.00883 0.06996 0.00820 0.04123 -0.00997 23 3S 0.34991 -1.13072 0.30705 -0.08122 0.43086 24 3PX 0.04552 0.24736 -0.00181 0.07825 0.22290 25 3PY -0.02365 0.03286 -0.08890 0.01353 0.12438 26 3PZ -0.07203 -0.16189 -0.04699 -0.08512 -0.35864 27 4XX -0.78792 1.01512 -0.31877 -0.14780 -0.89752 28 4YY -0.73525 0.88816 -0.30612 -0.15960 -1.13781 29 4ZZ -0.78876 1.02428 -0.33835 -0.17023 -0.89944 30 4XY -0.00331 0.02570 -0.00044 0.02800 -0.02927 31 4XZ 0.01772 -0.02808 0.01095 -0.00838 0.00789 32 4YZ -0.00156 -0.03129 -0.00867 -0.04183 -0.00265 33 4 H 1S 0.08716 -0.09953 0.02922 0.04011 0.06167 34 2S -0.18679 0.14619 -0.11998 -0.08944 -0.28268 35 5 C 1S -0.19896 0.26092 -0.08415 -0.04625 0.23405 36 2S 1.35795 -1.42324 0.52317 0.31517 -1.43990 37 2PX 0.01072 -0.10550 0.01628 -0.01651 -0.05147 38 2PY -0.05871 0.05463 -0.03044 0.00844 -0.17031 39 2PZ 0.00904 0.06994 0.00813 0.04116 0.01028 40 3S 0.36258 -1.12970 0.30597 -0.07975 -0.43395 41 3PX 0.04061 0.24742 -0.00202 0.08027 -0.22208 42 3PY 0.01795 -0.03240 0.09002 -0.01352 0.12323 43 3PZ -0.06807 -0.16151 -0.04683 -0.08809 0.35762 44 4XX -0.78631 1.01449 -0.31802 -0.15381 0.89796 45 4YY -0.73269 0.88715 -0.30523 -0.16761 1.13778 46 4ZZ -0.78759 1.02356 -0.33762 -0.17637 0.89952 47 4XY 0.00302 -0.02550 0.00040 -0.02781 -0.02996 48 4XZ 0.01704 -0.02815 0.01096 -0.00843 -0.00823 49 4YZ 0.00214 0.03095 0.00877 0.04188 -0.00175 50 6 H 1S 0.08720 -0.09945 0.02914 0.04051 -0.06145 51 2S -0.18472 0.14612 -0.11997 -0.09161 0.28225 52 7 C 1S -0.10997 -0.06749 -0.02798 -0.12782 0.19289 53 2S 0.69815 0.34300 0.06211 0.56097 -0.67237 54 2PX 0.05115 -0.09097 0.03143 0.00753 -0.09423 55 2PY -0.04684 0.05441 -0.00648 0.02435 -0.04381 56 2PZ -0.00540 0.10235 -0.00140 0.01727 0.02711 57 3S 0.23242 0.50292 0.05762 0.68614 -1.49086 58 3PX 0.03961 0.16180 -0.10925 -0.07483 -0.08092 59 3PY -0.00150 -0.15468 -0.10843 -0.10525 0.70419 60 3PZ -0.04047 -0.19947 0.06666 -0.13901 -0.01761 61 4XX -0.38459 -0.31962 -0.04977 -0.40440 0.60964 62 4YY -0.43572 -0.27928 -0.10323 -0.49713 0.60157 63 4ZZ -0.33300 -0.22117 -0.01350 -0.40851 0.54580 64 4XY -0.03486 0.07455 0.01694 0.03120 0.05364 65 4XZ -0.07285 0.04760 -0.02934 0.03569 0.13803 66 4YZ -0.00697 -0.09557 -0.01792 -0.00661 -0.01165 67 8 H 1S 0.06192 0.03232 0.03186 0.04796 -0.07599 68 2S -0.09676 -0.01858 0.01577 -0.11158 -0.07006 69 9 C 1S -0.14569 -0.21543 -0.11499 -0.13224 0.11898 70 2S 0.90769 1.08752 0.64891 0.60888 -0.81957 71 2PX 0.00357 -0.01854 0.01035 0.04729 -0.01329 72 2PY -0.02235 -0.00014 -0.01534 0.01505 -0.03969 73 2PZ -0.01955 0.03379 0.03520 0.03770 -0.02207 74 3S 0.49101 0.94683 0.35389 0.53352 0.07862 75 3PX -0.01740 0.02366 -0.07066 -0.18654 0.21741 76 3PY 0.06694 0.06715 0.01882 0.02722 -0.13357 77 3PZ 0.08385 -0.04627 0.02170 -0.07301 -0.30270 78 4XX -0.57880 -0.82272 -0.44263 -0.48644 0.48289 79 4YY -0.50051 -0.70312 -0.39517 -0.42889 0.56183 80 4ZZ -0.56874 -0.80088 -0.46480 -0.45775 0.46887 81 4XY 0.00703 -0.00236 -0.00013 -0.00624 -0.01886 82 4XZ -0.00304 -0.01463 0.01217 -0.01372 0.02747 83 4YZ -0.01479 -0.01435 -0.00116 -0.04852 0.03747 84 10 H 1S 0.05464 0.05954 0.04202 0.05752 -0.08164 85 2S -0.17644 -0.22825 -0.07726 -0.01627 0.14899 86 11 H 1S 0.06146 0.06896 0.03415 0.02847 -0.03710 87 2S -0.18135 -0.21773 -0.14873 -0.26837 0.21321 88 12 C 1S -0.14559 -0.21547 -0.11489 -0.13117 -0.11933 89 2S 0.90836 1.08820 0.64780 0.60160 0.82053 90 2PX 0.00319 -0.01855 0.01044 0.04723 0.01381 91 2PY 0.02254 0.00010 0.01530 -0.01474 -0.03992 92 2PZ -0.01928 0.03377 0.03520 0.03750 0.02207 93 3S 0.48384 0.94644 0.35454 0.53388 -0.07876 94 3PX -0.01724 0.02332 -0.07127 -0.18492 -0.21955 95 3PY -0.06846 -0.06750 -0.01893 -0.02615 -0.13403 96 3PZ 0.08809 -0.04587 0.02072 -0.07597 0.30239 97 4XX -0.57837 -0.82293 -0.44215 -0.48203 -0.48394 98 4YY -0.50072 -0.70343 -0.39459 -0.42400 -0.56294 99 4ZZ -0.56915 -0.80125 -0.46418 -0.45350 -0.46936 100 4XY -0.00715 0.00232 0.00010 0.00637 -0.01885 101 4XZ -0.00248 -0.01459 0.01203 -0.01365 -0.02772 102 4YZ 0.01472 0.01452 0.00135 0.04824 0.03793 103 13 H 1S 0.06244 0.06900 0.03393 0.02807 0.03721 104 2S -0.18264 -0.21814 -0.14878 -0.26663 -0.21490 105 14 H 1S 0.05434 0.05964 0.04207 0.05692 0.08194 106 2S -0.17714 -0.22842 -0.07689 -0.01491 -0.14828 107 15 C 1S -0.19179 -0.07323 0.14505 0.25635 -0.11691 108 2S 1.23461 0.54395 -0.63341 -1.31406 0.92265 109 2PX 0.05298 0.01542 -0.00530 -0.01112 0.03729 110 2PY 0.06921 0.06621 0.00615 -0.03742 -0.08672 111 2PZ -0.03611 -0.00415 0.04882 0.08660 -0.03171 112 3S 0.45545 -0.12378 -0.41211 -1.24107 0.31023 113 3PX -0.04651 0.27479 -0.01836 -0.01872 -0.32879 114 3PY -0.04001 -0.04755 -0.18506 0.09238 -0.03727 115 3PZ -0.00887 -0.29418 -0.16561 -0.24557 -0.02458 116 4XX -0.77909 -0.32441 0.50667 0.99997 -0.55559 117 4YY -0.69452 -0.27607 0.44692 0.87600 -0.63706 118 4ZZ -0.76469 -0.32162 0.52685 0.98474 -0.51567 119 4XY -0.01163 -0.00361 0.02668 0.05002 -0.03197 120 4XZ 0.01833 0.06150 0.00867 -0.06510 0.00571 121 4YZ -0.00499 0.02036 0.00685 0.00376 -0.00804 122 16 H 1S 0.09985 0.01262 -0.08133 -0.07125 0.08952 123 2S -0.18895 -0.17326 0.01657 0.20867 -0.13610 124 17 C 1S -0.19079 -0.07299 0.14497 0.25521 0.11901 125 2S 1.22566 0.54229 -0.63302 -1.30515 -0.93290 126 2PX 0.05133 0.01525 -0.00529 -0.01084 -0.03721 127 2PY -0.07029 -0.06638 -0.00623 0.03804 -0.08640 128 2PZ -0.03559 -0.00415 0.04874 0.08627 0.03212 129 3S 0.47920 -0.12278 -0.41107 -1.23741 -0.32219 130 3PX -0.05727 0.27355 -0.01885 -0.02166 0.32903 131 3PY 0.03545 0.04779 0.18455 -0.09184 -0.03921 132 3PZ 0.00426 -0.29327 -0.16519 -0.24572 0.02248 133 4XX -0.77426 -0.32338 0.50629 0.99447 0.56366 134 4YY -0.68854 -0.27473 0.44665 0.86976 0.64418 135 4ZZ -0.76025 -0.32074 0.52653 0.97973 0.52356 136 4XY 0.01177 0.00346 -0.02674 -0.04968 -0.03243 137 4XZ 0.01704 0.06130 0.00863 -0.06508 -0.00616 138 4YZ 0.00486 -0.02022 -0.00708 -0.00422 -0.00775 139 18 H 1S 0.09905 0.01258 -0.08136 -0.07059 -0.08968 140 2S -0.18494 -0.17292 0.01688 0.20748 0.13836 141 19 O 1S -0.02082 -0.09710 0.06209 -0.11378 0.05468 142 2S -0.04480 -0.20547 -0.03615 -0.09117 0.03403 143 2PX 0.03414 0.00233 -0.04233 -0.04621 0.02245 144 2PY -0.00434 -0.02751 0.05064 -0.07993 0.03073 145 2PZ -0.03323 -0.00127 0.03430 0.01611 -0.02028 146 3S 0.30180 1.48043 -0.67395 1.52886 -0.67745 147 3PX 0.02516 0.14866 -0.04649 0.11350 0.04146 148 3PY 0.10809 0.36511 0.07393 0.10098 -0.05996 149 3PZ 0.01666 -0.05689 0.08287 0.00395 0.00955 150 4XX -0.00972 -0.26659 0.16917 -0.44152 0.23039 151 4YY -0.07688 -0.25409 0.41429 -0.46551 0.18652 152 4ZZ -0.04149 -0.31372 0.17559 -0.43640 0.19694 153 4XY 0.05022 0.01910 -0.14329 0.01982 0.03246 154 4XZ -0.06994 -0.07575 -0.01366 0.13484 -0.04324 155 4YZ -0.02863 0.01129 0.14899 -0.02468 -0.02485 156 20 O 1S -0.01713 -0.09691 0.06208 -0.11314 -0.05584 157 2S -0.03924 -0.20505 -0.03609 -0.09060 -0.03515 158 2PX 0.03481 0.00229 -0.04231 -0.04588 -0.02294 159 2PY 0.00290 0.02746 -0.05078 0.07952 0.03133 160 2PZ -0.03320 -0.00116 0.03419 0.01598 0.02053 161 3S 0.25263 1.47748 -0.67411 1.52097 0.69301 162 3PX 0.01708 0.14816 -0.04649 0.11376 -0.03985 163 3PY -0.10030 -0.36441 -0.07412 -0.10019 -0.06103 164 3PZ 0.02039 -0.05710 0.08274 0.00375 -0.01015 165 4XX 0.00131 -0.26606 0.16910 -0.43902 -0.23463 166 4YY -0.06541 -0.25350 0.41490 -0.46341 -0.19091 167 4ZZ -0.02896 -0.31324 0.17516 -0.43395 -0.20134 168 4XY -0.04864 -0.01882 0.14325 -0.02035 0.03230 169 4XZ -0.06773 -0.07553 -0.01342 0.13436 0.04422 170 4YZ 0.02778 -0.01130 -0.14847 0.02497 -0.02470 171 21 C 1S 0.06725 -0.05224 -0.40603 0.21147 0.00071 172 2S -0.25836 0.36783 2.24895 -1.34934 -0.00469 173 2PX -0.00838 -0.05104 -0.11174 0.04493 0.00008 174 2PY 0.00030 -0.00003 -0.00015 0.00007 0.00150 175 2PZ 0.00503 0.06337 0.10709 -0.04131 -0.00016 176 3S -0.67836 -0.51437 2.05237 -1.32804 -0.00500 177 3PX -0.13180 -0.20289 0.09275 0.02958 0.00022 178 3PY 0.00170 -0.00013 -0.00002 0.00086 -0.14474 179 3PZ 0.09216 0.13840 -0.02563 -0.04806 0.00005 180 4XX 0.21283 -0.22248 -1.53791 0.88444 0.00297 181 4YY 0.23202 -0.21084 -1.73878 0.98664 0.00353 182 4ZZ 0.22393 -0.24172 -1.56257 0.85045 0.00288 183 4XY -0.00021 -0.00004 -0.00004 0.00004 0.00712 184 4XZ 0.03894 0.03603 0.03276 -0.07873 -0.00030 185 4YZ 0.00051 0.00006 -0.00016 0.00019 -0.00641 186 22 H 1S 0.00426 0.05862 0.08718 -0.02327 0.00001 187 2S 0.07089 -0.04017 -0.42386 0.27725 0.00109 188 23 H 1S 0.00033 0.06927 0.08071 -0.02109 -0.00005 189 2S 0.12994 0.03797 -0.44936 0.33229 0.00096 186 187 188 189 V V V V Eigenvalues -- 4.44855 4.48935 4.64964 4.87450 1 1 C 1S -0.30986 -0.01711 0.06294 0.39735 2 2S 1.68079 0.20565 -0.63357 -0.87018 3 2PX -0.01720 -0.06181 0.02313 -0.03955 4 2PY -0.09749 -0.04315 0.02355 0.23832 5 2PZ 0.00173 0.06094 -0.02857 -0.00257 6 3S 2.08208 0.17730 -0.58060 -5.57588 7 3PX -0.10501 0.23122 -0.07536 0.02294 8 3PY 0.20599 0.16608 -0.01737 -2.17214 9 3PZ 0.09638 -0.15285 -0.18191 -0.16828 10 4XX -1.20437 -0.20500 0.35074 1.24908 11 4YY -1.18827 -0.11023 0.29584 1.23902 12 4ZZ -1.30292 -0.05836 0.44183 1.26383 13 4XY -0.03541 -0.04979 -0.04072 0.05462 14 4XZ 0.10844 0.04950 -0.03879 -0.08137 15 4YZ -0.01107 0.09005 0.02040 -0.02984 16 2 H 1S 0.05468 0.03336 -0.00479 -0.08324 17 2S -0.29974 0.04658 0.07234 -0.13465 18 3 C 1S 0.04368 0.24195 -0.03734 -0.11030 19 2S -0.21678 -1.18922 0.29987 0.33685 20 2PX -0.09779 -0.08921 0.01809 0.05855 21 2PY -0.07983 0.11213 -0.02025 0.02668 22 2PZ 0.08321 0.06546 -0.01295 -0.07680 23 3S -0.60112 -2.23612 0.13766 3.99706 24 3PX 0.15537 0.42175 0.08817 -1.25081 25 3PY 0.05234 -0.47896 -0.09197 0.81288 26 3PZ -0.11904 -0.33634 -0.07170 1.24817 27 4XX 0.22213 0.88134 -0.17557 -0.40044 28 4YY 0.18793 1.09582 -0.25482 -0.47370 29 4ZZ 0.22787 0.90262 -0.16762 -0.40668 30 4XY 0.10539 0.05568 -0.05215 -0.12980 31 4XZ -0.07629 -0.02417 0.04109 0.07567 32 4YZ -0.07657 -0.05235 -0.00138 0.11048 33 4 H 1S 0.00513 -0.07278 0.00567 0.04275 34 2S 0.02462 0.06603 -0.11373 0.30481 35 5 C 1S 0.04196 -0.24241 0.03738 0.11014 36 2S -0.20774 1.19131 -0.30005 -0.33632 37 2PX -0.09738 0.08966 -0.01821 -0.05847 38 2PY 0.08059 0.11205 -0.02017 0.02645 39 2PZ 0.08299 -0.06561 0.01304 0.07654 40 3S -0.59012 2.23931 -0.13935 -3.99499 41 3PX 0.15445 -0.42234 -0.08778 1.25002 42 3PY -0.05482 -0.47998 -0.09274 0.81612 43 3PZ -0.11860 0.33623 0.07154 -1.24558 44 4XX 0.21620 -0.88332 0.17586 0.40005 45 4YY 0.17936 -1.09724 0.25486 0.47254 46 4ZZ 0.22161 -0.90471 0.16804 0.40649 47 4XY -0.10483 0.05624 -0.05235 -0.12983 48 4XZ -0.07650 0.02462 -0.04134 -0.07594 49 4YZ 0.07617 -0.05291 -0.00114 0.11042 50 6 H 1S 0.00562 0.07295 -0.00559 -0.04264 51 2S 0.02357 -0.06624 0.11401 -0.30465 52 7 C 1S -0.31056 0.01823 -0.06363 -0.39726 53 2S 1.68186 -0.21206 0.63725 0.86870 54 2PX -0.01677 0.06182 -0.02294 0.03898 55 2PY 0.09738 -0.04336 0.02361 0.23814 56 2PZ 0.00159 -0.06097 0.02885 0.00259 57 3S 2.08716 -0.18507 0.58475 5.57601 58 3PX -0.10587 -0.23120 0.07583 -0.02150 59 3PY -0.20727 0.16637 -0.01727 -2.17101 60 3PZ 0.09618 0.15202 0.18147 0.16521 61 4XX -1.20586 0.20989 -0.35363 -1.24785 62 4YY -1.19015 0.11431 -0.29858 -1.23866 63 4ZZ -1.30443 0.06335 -0.44455 -1.26317 64 4XY 0.03509 -0.04980 -0.04076 0.05439 65 4XZ 0.10772 -0.05005 0.03862 0.08167 66 4YZ 0.01176 0.09012 0.02076 -0.02977 67 8 H 1S 0.05469 -0.03362 0.00484 0.08316 68 2S -0.30014 -0.04536 -0.07341 0.13388 69 9 C 1S 0.16785 0.21022 0.29801 0.02099 70 2S -0.86667 -1.00615 -1.24126 -0.07119 71 2PX 0.01017 0.02448 -0.02144 0.03677 72 2PY 0.02364 -0.03247 -0.02916 0.01341 73 2PZ -0.07686 -0.03349 -0.10528 0.09493 74 3S -1.27614 -1.68993 -2.92649 -2.19363 75 3PX -0.00849 -0.11127 0.25122 -0.69923 76 3PY -0.12550 0.16563 0.45965 0.12892 77 3PZ 0.23347 0.09152 0.39031 0.65246 78 4XX 0.64142 0.75500 1.00265 0.04221 79 4YY 0.57600 0.86570 1.18774 0.08410 80 4ZZ 0.75124 0.73979 1.07471 0.10603 81 4XY 0.02907 0.02884 0.00096 0.03446 82 4XZ -0.05146 0.00100 -0.01520 -0.05011 83 4YZ -0.09822 -0.01025 -0.07548 -0.09363 84 10 H 1S -0.01376 0.00443 -0.00312 0.14582 85 2S 0.13811 0.27327 0.14870 0.16916 86 11 H 1S -0.01865 -0.00392 0.06360 0.04790 87 2S 0.21736 0.17438 0.41176 -0.18153 88 12 C 1S 0.16803 -0.21083 -0.29777 -0.02110 89 2S -0.86817 1.00910 1.24022 0.07140 90 2PX 0.01010 -0.02441 0.02136 -0.03689 91 2PY -0.02340 -0.03248 -0.02931 0.01347 92 2PZ -0.07707 0.03364 0.10507 -0.09477 93 3S -1.27471 1.69533 2.92477 2.19424 94 3PX -0.00759 0.11081 -0.25108 0.70054 95 3PY 0.12494 0.16512 0.46028 0.13091 96 3PZ 0.23289 -0.09219 -0.38928 -0.65236 97 4XX 0.64233 -0.75737 -1.00176 -0.04258 98 4YY 0.57668 -0.86767 -1.18675 -0.08423 99 4ZZ 0.75222 -0.74245 -1.07389 -0.10660 100 4XY -0.02888 0.02902 0.00101 0.03459 101 4XZ -0.05168 -0.00074 0.01514 0.05019 102 4YZ 0.09783 -0.01081 -0.07548 -0.09369 103 13 H 1S -0.01873 0.00393 -0.06362 -0.04799 104 2S 0.21794 -0.17563 -0.41144 0.18228 105 14 H 1S -0.01399 -0.00434 0.00313 -0.14579 106 2S 0.13776 -0.27362 -0.14864 -0.16927 107 15 C 1S 0.00587 -0.17809 0.24152 -0.21122 108 2S 0.16715 0.98003 -0.91627 0.15213 109 2PX 0.00836 0.01937 0.00516 -0.08710 110 2PY -0.00357 -0.09664 0.10304 -0.04898 111 2PZ -0.01522 -0.02688 0.11084 -0.04977 112 3S -0.34256 1.01517 -3.28266 5.19033 113 3PX -0.09395 0.41293 0.36026 -0.33783 114 3PY 0.12836 0.07980 -1.05888 1.23387 115 3PZ -0.04708 -0.34421 -0.93992 1.67803 116 4XX -0.07729 -0.72181 0.85698 -0.48352 117 4YY -0.01930 -0.84981 0.97489 -0.67513 118 4ZZ -0.02316 -0.68587 0.83918 -0.56682 119 4XY 0.01690 -0.02079 -0.00861 0.00891 120 4XZ -0.01677 0.07020 0.00940 -0.01523 121 4YZ 0.00904 0.04262 -0.04789 0.04238 122 16 H 1S 0.03097 -0.03389 -0.07916 -0.01554 123 2S 0.07532 -0.31696 -0.14451 0.19396 124 17 C 1S 0.00677 0.17860 -0.24171 0.21151 125 2S 0.16341 -0.98296 0.91728 -0.15182 126 2PX 0.00794 -0.01937 -0.00526 0.08685 127 2PY 0.00317 -0.09665 0.10308 -0.04931 128 2PZ -0.01501 0.02670 -0.11066 0.04971 129 3S -0.34922 -1.01723 3.28403 -5.19329 130 3PX -0.09730 -0.41247 -0.36051 0.33752 131 3PY -0.12688 0.07923 -1.05999 1.23769 132 3PZ -0.04634 0.34444 0.93739 -1.67613 133 4XX -0.07415 0.72408 -0.85772 0.48358 134 4YY -0.01544 0.85145 -0.97539 0.67546 135 4ZZ -0.02007 0.68796 -0.84012 0.56789 136 4XY -0.01698 -0.02053 -0.00857 0.00879 137 4XZ -0.01731 -0.07025 -0.00948 0.01504 138 4YZ -0.00882 0.04310 -0.04823 0.04252 139 18 H 1S 0.03116 0.03380 0.07905 0.01522 140 2S 0.07637 0.31730 0.14375 -0.19354 141 19 O 1S 0.02224 0.02117 -0.07039 0.15858 142 2S 0.01357 -0.04399 -0.12983 0.41043 143 2PX -0.00747 0.03173 -0.02758 0.06403 144 2PY 0.01800 0.02821 -0.03200 0.06993 145 2PZ 0.01785 -0.00968 0.01485 -0.00944 146 3S -0.29836 -0.07440 1.41285 -3.01500 147 3PX 0.05760 0.15153 0.21123 -0.68370 148 3PY -0.08025 0.00457 0.18140 -0.45774 149 3PZ -0.09272 -0.14388 -0.03781 0.20483 150 4XX 0.09165 0.15297 -0.24655 0.44278 151 4YY 0.09673 0.07874 -0.24775 0.51744 152 4ZZ 0.06763 0.10267 -0.25717 0.55335 153 4XY -0.02017 0.06400 -0.02911 -0.03263 154 4XZ -0.02604 -0.09090 0.09137 0.00218 155 4YZ 0.01570 -0.05795 0.02231 -0.00442 156 20 O 1S 0.02252 -0.02144 0.07053 -0.15851 157 2S 0.01434 0.04369 0.12995 -0.41031 158 2PX -0.00745 -0.03177 0.02760 -0.06400 159 2PY -0.01811 0.02833 -0.03197 0.06991 160 2PZ 0.01782 0.00971 -0.01488 0.00953 161 3S -0.30247 0.07823 -1.41489 3.01393 162 3PX 0.05642 -0.15160 -0.21150 0.68383 163 3PY 0.08113 0.00360 0.18122 -0.45712 164 3PZ -0.09153 0.14398 0.03815 -0.20550 165 4XX 0.09215 -0.15416 0.24704 -0.44250 166 4YY 0.09769 -0.07943 0.24832 -0.51708 167 4ZZ 0.06845 -0.10374 0.25770 -0.55317 168 4XY 0.02060 0.06389 -0.02889 -0.03261 169 4XZ -0.02537 0.09120 -0.09147 -0.00226 170 4YZ -0.01595 -0.05789 0.02231 -0.00452 171 21 C 1S -0.08857 0.00012 -0.00017 -0.00005 172 2S 0.39730 -0.00070 0.00066 0.00006 173 2PX -0.04050 0.00002 -0.00006 -0.00009 174 2PY -0.00002 -0.01240 0.02390 -0.07387 175 2PZ -0.00768 0.00004 0.00007 -0.00010 176 3S 0.79261 -0.00154 0.00152 0.00043 177 3PX 0.21507 -0.00026 0.00032 0.00046 178 3PY -0.00009 -0.15136 0.07408 -0.10257 179 3PZ 0.06633 -0.00021 -0.00023 0.00032 180 4XX -0.33185 0.00051 -0.00061 -0.00008 181 4YY -0.33321 0.00053 -0.00070 -0.00013 182 4ZZ -0.31748 0.00046 -0.00051 -0.00025 183 4XY -0.00003 -0.01474 -0.01886 -0.00686 184 4XZ -0.00224 -0.00006 -0.00005 0.00001 185 4YZ 0.00003 -0.00055 0.02225 -0.04358 186 22 H 1S 0.02024 0.00002 0.00001 0.00003 187 2S -0.02661 0.00009 -0.00016 0.00022 188 23 H 1S -0.02601 0.00006 -0.00004 -0.00005 189 2S -0.23872 0.00043 -0.00013 -0.00043 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05498 2 2S -0.06133 0.32634 3 2PX -0.00315 0.00482 0.35439 4 2PY 0.00191 0.00377 0.02302 0.41152 5 2PZ 0.00214 0.00093 -0.03997 0.00391 0.38402 6 3S -0.19776 0.29063 -0.01217 -0.00350 -0.02805 7 3PX 0.00757 -0.01602 0.19643 -0.01983 0.03221 8 3PY -0.00757 -0.00823 0.00466 0.13003 -0.01762 9 3PZ 0.00296 -0.00461 0.04860 -0.01432 0.17018 10 4XX -0.01132 -0.01297 0.00888 0.00493 -0.00135 11 4YY -0.01838 0.00158 -0.00427 -0.02195 -0.00257 12 4ZZ -0.01398 -0.00730 -0.00781 0.01078 0.00472 13 4XY -0.00161 0.00345 0.00763 -0.00003 -0.00416 14 4XZ 0.00249 -0.00560 -0.00452 -0.00528 0.00114 15 4YZ -0.00081 0.00154 -0.00335 -0.00235 0.01081 16 2 H 1S -0.05969 0.11295 -0.02932 -0.26414 -0.02290 17 2S -0.01311 0.02598 -0.00919 -0.24492 -0.02223 18 3 C 1S 0.01789 -0.03385 -0.05511 -0.03913 0.04363 19 2S -0.03603 0.06177 0.11742 0.07561 -0.08978 20 2PX 0.05987 -0.12157 0.00739 -0.13800 0.21162 21 2PY 0.03628 -0.07550 -0.13538 -0.05099 0.08023 22 2PZ -0.04302 0.08350 0.24245 0.06417 -0.01509 23 3S 0.01165 0.01684 0.04567 0.10489 -0.05010 24 3PX 0.00738 -0.03360 0.07543 -0.06149 0.08995 25 3PY 0.00605 -0.00952 -0.09240 0.00958 0.03207 26 3PZ 0.00474 0.00617 0.09978 0.00565 0.03879 27 4XX -0.00160 0.00277 -0.00837 0.00424 -0.00519 28 4YY 0.00117 -0.00342 -0.00217 -0.01332 0.00244 29 4ZZ -0.00024 0.00007 0.00219 0.00189 0.01018 30 4XY -0.00374 0.00672 0.00235 -0.00160 -0.00839 31 4XZ 0.00329 -0.00636 -0.00294 -0.00725 -0.00074 32 4YZ 0.00332 -0.00627 -0.00858 0.00160 0.00096 33 4 H 1S 0.01338 -0.02791 -0.03269 -0.00426 0.03215 34 2S 0.01888 -0.03229 -0.07740 0.00132 0.06795 35 5 C 1S -0.00340 0.00823 0.00831 0.01168 -0.00445 36 2S 0.00831 -0.01880 -0.02653 -0.02677 0.01367 37 2PX -0.00082 0.00171 -0.00642 0.00246 -0.02038 38 2PY -0.01225 0.03291 0.03167 0.03378 -0.01504 39 2PZ 0.00586 -0.01499 -0.02710 -0.00708 -0.00553 40 3S -0.00302 -0.01978 0.05045 -0.09129 -0.01054 41 3PX 0.00672 -0.00624 -0.04994 0.00080 -0.00964 42 3PY -0.00509 0.01885 -0.02134 0.05080 -0.00760 43 3PZ -0.00511 -0.00130 0.00963 0.00114 -0.02947 44 4XX 0.00018 -0.00040 0.00314 -0.00097 0.00188 45 4YY -0.00097 0.00214 0.00148 0.00423 -0.00325 46 4ZZ -0.00025 0.00079 -0.00076 0.00076 -0.00147 47 4XY -0.00180 0.00376 -0.00179 0.00592 -0.00818 48 4XZ 0.00008 -0.00016 -0.00173 0.00002 0.00048 49 4YZ 0.00116 -0.00224 -0.01076 -0.00219 -0.00079 50 6 H 1S -0.00753 0.01708 0.03029 0.01514 -0.01497 51 2S -0.01234 0.02411 0.06560 0.03050 -0.02982 52 7 C 1S -0.00468 0.00678 -0.00446 0.01024 -0.00219 53 2S 0.00678 -0.01943 0.01500 -0.02847 0.00307 54 2PX -0.00441 0.01487 -0.09411 0.02682 -0.03861 55 2PY -0.01024 0.02845 -0.02693 0.03619 -0.01446 56 2PZ -0.00218 0.00305 -0.03869 0.01458 -0.06997 57 3S 0.02824 -0.03181 -0.02292 -0.03188 0.02406 58 3PX -0.00344 0.01212 -0.08557 0.02902 -0.03404 59 3PY -0.01060 0.00749 0.01958 -0.01164 -0.01756 60 3PZ -0.00233 0.00642 -0.04464 0.01710 -0.05608 61 4XX -0.00045 -0.00046 -0.00092 -0.00052 -0.00105 62 4YY -0.00084 0.00068 -0.00196 0.00122 -0.00054 63 4ZZ -0.00046 0.00014 0.00232 -0.00074 0.00066 64 4XY -0.00044 0.00070 0.00076 0.00097 -0.00145 65 4XZ -0.00005 -0.00038 0.00002 -0.00024 -0.00003 66 4YZ -0.00001 0.00005 -0.00161 0.00042 0.00128 67 8 H 1S -0.00252 0.00795 -0.01090 0.00925 -0.00291 68 2S -0.00361 0.01395 -0.03440 0.02542 -0.00581 69 9 C 1S -0.00202 0.00420 -0.00310 0.00913 0.00490 70 2S 0.00459 -0.00918 0.00432 -0.01812 -0.01665 71 2PX 0.00180 -0.00338 0.00565 -0.00362 -0.00162 72 2PY -0.01024 0.02611 -0.00238 0.03525 0.03068 73 2PZ -0.00337 0.01376 -0.00369 0.00755 0.02390 74 3S -0.00081 -0.01381 0.04775 -0.07648 0.00214 75 3PX -0.00043 -0.00408 0.00899 -0.00860 0.00185 76 3PY -0.00686 0.01928 -0.00925 0.05185 0.01858 77 3PZ 0.00015 0.00718 -0.01329 0.00335 0.01589 78 4XX -0.00043 0.00104 -0.00159 0.00085 -0.00002 79 4YY -0.00056 0.00087 -0.00257 0.00191 0.00052 80 4ZZ 0.00017 -0.00091 0.00294 -0.00150 0.00092 81 4XY 0.00034 -0.00060 -0.00054 -0.00070 -0.00295 82 4XZ 0.00007 -0.00013 0.00227 -0.00069 0.00231 83 4YZ -0.00151 0.00341 -0.00258 0.00453 0.00723 84 10 H 1S -0.00193 0.00809 0.00892 0.00397 0.02440 85 2S -0.00257 0.00828 0.01196 0.01242 0.03381 86 11 H 1S -0.00422 0.01110 -0.01223 0.01108 0.01097 87 2S -0.00628 0.01442 -0.02774 0.02015 0.01343 88 12 C 1S 0.01252 -0.02297 0.02146 -0.02951 -0.05187 89 2S -0.02336 0.03914 -0.04305 0.05537 0.10801 90 2PX -0.01712 0.03382 0.00045 0.02747 0.08319 91 2PY 0.02344 -0.04856 0.02052 -0.03134 -0.11020 92 2PZ 0.06433 -0.13744 0.10122 -0.12184 -0.23465 93 3S 0.00257 0.02397 -0.09371 0.11170 0.08691 94 3PX -0.00271 0.01331 -0.00006 0.01602 0.03744 95 3PY 0.00570 -0.01143 0.01354 0.00271 -0.05327 96 3PZ 0.01310 -0.04404 0.04357 -0.05761 -0.11722 97 4XX 0.00196 -0.00450 0.00736 -0.00166 -0.00375 98 4YY 0.00081 -0.00224 0.00073 -0.00982 -0.00227 99 4ZZ -0.00457 0.00848 -0.00575 0.00738 0.00104 100 4XY 0.00115 -0.00204 -0.00142 0.00104 -0.00361 101 4XZ 0.00265 -0.00525 -0.00784 -0.00344 -0.00573 102 4YZ -0.00409 0.00766 -0.00392 -0.00344 0.00868 103 13 H 1S 0.00809 -0.01963 0.02500 -0.00181 -0.02345 104 2S 0.01421 -0.02687 0.08203 -0.01214 -0.02896 105 14 H 1S 0.00809 -0.02346 0.00303 -0.00512 -0.02614 106 2S 0.01254 -0.02987 -0.00774 -0.01025 -0.05904 107 15 C 1S -0.00195 0.00260 0.00840 -0.00426 0.00242 108 2S 0.00085 -0.01172 -0.01017 0.00285 -0.00667 109 2PX -0.00436 0.00249 -0.10001 0.03471 -0.05642 110 2PY -0.00057 0.00519 0.02522 -0.01766 0.00963 111 2PZ -0.00770 0.01088 -0.08812 0.02312 -0.05943 112 3S 0.01939 -0.00896 -0.03365 0.03749 0.01778 113 3PX 0.00116 -0.00241 -0.06900 0.02651 -0.05822 114 3PY 0.00041 0.00592 0.01878 0.00962 0.01996 115 3PZ 0.00289 0.00279 -0.07199 0.01845 -0.02547 116 4XX -0.00166 0.00290 -0.00639 0.00236 -0.00505 117 4YY -0.00015 -0.00072 0.00199 -0.00233 0.00113 118 4ZZ 0.00005 -0.00094 0.00300 -0.00032 0.00307 119 4XY 0.00065 -0.00175 0.00231 0.00081 0.00134 120 4XZ -0.00087 0.00214 -0.00443 0.00155 -0.00101 121 4YZ 0.00069 -0.00188 0.00160 0.00050 0.00103 122 16 H 1S 0.00599 -0.01490 0.02502 -0.00208 0.02145 123 2S 0.00672 -0.01321 0.02729 -0.00710 0.02813 124 17 C 1S -0.00096 0.00324 -0.00344 0.00440 -0.00065 125 2S 0.00309 -0.00397 0.00798 -0.00649 0.00420 126 2PX 0.00601 -0.01967 0.00550 -0.00668 0.00166 127 2PY -0.00166 0.00256 -0.02185 0.01609 -0.01215 128 2PZ 0.00541 -0.01604 0.01138 -0.00644 0.00571 129 3S -0.00391 -0.01546 0.01236 -0.04100 -0.01993 130 3PX 0.00524 -0.01579 0.01442 -0.00809 0.01697 131 3PY 0.00344 -0.00095 -0.00305 0.01498 0.01065 132 3PZ 0.00094 -0.01382 0.02188 -0.00939 -0.00460 133 4XX -0.00015 0.00009 0.00101 0.00028 0.00082 134 4YY 0.00008 -0.00001 -0.00030 -0.00009 -0.00049 135 4ZZ -0.00011 0.00080 -0.00015 0.00084 0.00001 136 4XY 0.00037 -0.00017 0.00560 -0.00230 0.00325 137 4XZ 0.00016 -0.00052 0.00163 -0.00076 0.00149 138 4YZ 0.00043 -0.00030 0.00505 -0.00154 0.00330 139 18 H 1S -0.00217 0.00569 -0.01890 0.00821 -0.01270 140 2S -0.00428 0.00821 -0.02248 0.01243 -0.02171 141 19 O 1S -0.00006 0.00124 -0.00403 0.00015 0.00063 142 2S 0.00144 -0.00356 0.00920 -0.00011 0.00159 143 2PX 0.00870 -0.01380 0.06019 -0.01145 0.01993 144 2PY -0.00185 0.00158 -0.00863 -0.00099 -0.00436 145 2PZ 0.00814 -0.00917 0.05237 -0.01314 0.02775 146 3S -0.00561 -0.00091 0.01761 -0.00056 -0.01788 147 3PX 0.00391 -0.00999 0.05170 -0.01068 0.01447 148 3PY -0.00167 0.00082 -0.00517 -0.00135 -0.00724 149 3PZ 0.00723 -0.00760 0.04916 -0.01411 0.03125 150 4XX 0.00025 -0.00022 -0.00249 0.00102 -0.00083 151 4YY 0.00041 0.00028 -0.00014 -0.00053 0.00077 152 4ZZ 0.00077 -0.00013 0.00221 -0.00025 0.00242 153 4XY 0.00030 -0.00069 0.00263 -0.00048 0.00036 154 4XZ -0.00009 0.00043 -0.00077 0.00003 -0.00006 155 4YZ 0.00035 -0.00059 0.00103 0.00015 0.00079 156 20 O 1S -0.00022 -0.00083 0.00029 -0.00057 -0.00037 157 2S -0.00032 0.00189 -0.00260 0.00159 -0.00240 158 2PX -0.00195 0.01051 -0.00513 0.00636 -0.00385 159 2PY 0.00012 -0.00069 0.00505 -0.00591 0.00206 160 2PZ -0.00038 0.00617 0.01084 -0.00505 0.00364 161 3S 0.00417 0.00261 0.00465 0.00353 0.01627 162 3PX -0.00086 0.00949 -0.00801 0.00668 -0.00036 163 3PY -0.00084 -0.00064 0.00068 -0.00533 -0.00212 164 3PZ -0.00100 0.00694 0.00651 -0.00313 0.00011 165 4XX 0.00013 -0.00070 0.00054 -0.00032 -0.00035 166 4YY -0.00035 0.00001 -0.00039 0.00001 -0.00100 167 4ZZ -0.00059 0.00049 -0.00161 0.00047 -0.00142 168 4XY -0.00006 -0.00032 -0.00006 0.00005 -0.00023 169 4XZ 0.00001 -0.00012 0.00025 -0.00009 0.00015 170 4YZ 0.00000 -0.00005 0.00046 -0.00022 0.00048 171 21 C 1S 0.00031 0.00016 0.00230 -0.00028 0.00028 172 2S -0.00014 0.00011 -0.00529 0.00125 -0.00036 173 2PX -0.00106 0.00104 -0.00789 0.00129 -0.00106 174 2PY 0.00029 -0.00035 0.00362 0.00069 -0.00186 175 2PZ -0.00089 0.00172 0.00116 -0.00103 0.00273 176 3S -0.00167 -0.00067 -0.01412 0.00313 -0.00051 177 3PX -0.00070 -0.00067 -0.00053 -0.00011 -0.00160 178 3PY -0.00010 0.00080 -0.00121 -0.00034 -0.00116 179 3PZ -0.00013 0.00145 0.01061 -0.00170 0.00865 180 4XX 0.00047 -0.00028 0.00260 -0.00032 0.00062 181 4YY 0.00012 -0.00014 0.00035 -0.00024 0.00036 182 4ZZ -0.00034 0.00032 -0.00261 0.00052 -0.00089 183 4XY -0.00036 0.00074 -0.00234 0.00068 -0.00100 184 4XZ 0.00011 -0.00015 0.00004 0.00016 0.00005 185 4YZ -0.00050 0.00078 -0.00242 0.00047 -0.00097 186 22 H 1S 0.00142 -0.00087 0.01077 -0.00153 0.00282 187 2S 0.00191 -0.00083 0.02158 -0.00370 0.00567 188 23 H 1S -0.00145 0.00102 -0.00986 0.00186 -0.00338 189 2S -0.00191 0.00051 -0.01929 0.00327 -0.01359 6 7 8 9 10 6 3S 0.30042 7 3PX -0.02125 0.12493 8 3PY 0.00558 -0.00627 0.05320 9 3PZ -0.02576 0.05278 -0.01516 0.09658 10 4XX -0.01129 0.00518 0.00166 0.00076 0.00149 11 4YY 0.00386 -0.00113 -0.00652 -0.00039 -0.00052 12 4ZZ -0.00678 -0.00449 0.00329 -0.00005 0.00007 13 4XY 0.00321 0.00320 0.00012 -0.00028 0.00000 14 4XZ -0.00351 -0.00169 -0.00145 -0.00063 0.00001 15 4YZ 0.00062 -0.00006 -0.00164 0.00357 -0.00014 16 2 H 1S 0.11234 -0.00495 -0.08409 -0.00414 -0.00852 17 2S 0.03321 0.01111 -0.07232 0.00208 -0.00500 18 3 C 1S -0.00917 -0.01229 -0.00985 0.00436 -0.00196 19 2S 0.03349 0.03506 0.02578 -0.01207 0.00316 20 2PX -0.13100 0.04986 -0.05365 0.09570 0.01090 21 2PY -0.05015 -0.06236 -0.00548 0.03271 -0.00514 22 2PZ 0.09086 0.12897 0.02379 0.02882 0.00698 23 3S -0.02622 -0.00789 0.01886 -0.00663 0.00430 24 3PX -0.02877 0.06578 -0.01765 0.05090 0.00751 25 3PY -0.00110 -0.05179 0.00216 -0.00023 -0.00330 26 3PZ 0.00205 0.06086 -0.00262 0.03336 0.00591 27 4XX 0.00394 -0.00569 0.00159 -0.00483 -0.00025 28 4YY -0.00285 0.00026 -0.00408 0.00198 -0.00020 29 4ZZ -0.00162 0.00269 -0.00056 0.00448 0.00012 30 4XY 0.00854 -0.00002 -0.00026 -0.00455 -0.00005 31 4XZ -0.00401 -0.00054 -0.00162 -0.00042 -0.00004 32 4YZ -0.00762 -0.00549 0.00012 -0.00163 0.00034 33 4 H 1S -0.05772 -0.01768 -0.01042 0.00729 0.00308 34 2S -0.05899 -0.03767 -0.01148 0.01281 0.00158 35 5 C 1S 0.00597 0.00436 0.00284 -0.00411 0.00055 36 2S -0.02037 -0.01393 -0.01069 0.00851 -0.00122 37 2PX 0.03771 -0.00498 0.00160 -0.03959 0.00653 38 2PY 0.02421 0.01849 -0.00561 -0.02549 0.00246 39 2PZ -0.04543 -0.03624 -0.01117 -0.01417 0.00489 40 3S -0.00893 0.03728 -0.02368 0.01305 -0.00039 41 3PX 0.00721 -0.03361 -0.00132 -0.03093 0.00408 42 3PY 0.01228 -0.01965 0.00592 -0.01857 0.00039 43 3PZ -0.00387 -0.00661 -0.00060 -0.02249 0.00387 44 4XX 0.00001 0.00305 0.00037 0.00163 0.00008 45 4YY 0.00136 -0.00078 0.00089 -0.00087 0.00005 46 4ZZ 0.00111 -0.00047 -0.00001 -0.00208 -0.00004 47 4XY 0.00563 -0.00236 0.00276 -0.00456 -0.00039 48 4XZ -0.00036 -0.00133 -0.00020 0.00042 0.00001 49 4YZ -0.00433 -0.00703 -0.00146 -0.00175 -0.00032 50 6 H 1S 0.04154 0.02561 0.00662 -0.01359 0.00034 51 2S 0.04889 0.04369 0.01576 -0.01523 0.00109 52 7 C 1S 0.02825 -0.00349 0.01063 -0.00234 -0.00045 53 2S -0.03183 0.01222 -0.00753 0.00648 -0.00045 54 2PX -0.02306 -0.08550 -0.01950 -0.04463 -0.00092 55 2PY 0.03177 -0.02909 -0.01165 -0.01710 0.00052 56 2PZ 0.02406 -0.03410 0.01768 -0.05611 -0.00106 57 3S -0.04410 -0.00575 -0.00618 0.01064 0.00048 58 3PX -0.00584 -0.07057 -0.00669 -0.04024 -0.00074 59 3PY 0.00611 0.00676 -0.01300 -0.00668 0.00022 60 3PZ 0.01060 -0.04021 0.00676 -0.04211 -0.00188 61 4XX 0.00048 -0.00075 -0.00022 -0.00188 0.00045 62 4YY 0.00050 -0.00168 -0.00039 -0.00021 -0.00016 63 4ZZ 0.00055 0.00205 0.00018 0.00145 -0.00017 64 4XY 0.00202 0.00098 0.00099 -0.00105 0.00001 65 4XZ 0.00018 -0.00004 0.00026 0.00009 0.00019 66 4YZ -0.00050 -0.00116 0.00007 0.00136 -0.00007 67 8 H 1S 0.00541 -0.01176 -0.00990 -0.00328 -0.00021 68 2S 0.01443 -0.02820 -0.00401 -0.00909 -0.00090 69 9 C 1S 0.00385 -0.00368 0.00396 0.00182 0.00030 70 2S -0.00945 0.00481 -0.00899 -0.00700 -0.00104 71 2PX -0.01300 -0.00200 -0.00020 0.00413 -0.00015 72 2PY 0.02809 -0.00942 0.01239 0.02230 0.00101 73 2PZ -0.00620 -0.01453 -0.02517 0.02492 0.00235 74 3S -0.01020 0.04242 -0.02366 0.01384 -0.00084 75 3PX -0.00775 0.00409 -0.00203 0.00494 -0.00010 76 3PY 0.01838 -0.01155 0.01564 0.00893 0.00038 77 3PZ -0.00338 -0.01373 -0.01144 0.01344 0.00078 78 4XX 0.00059 -0.00184 -0.00079 -0.00001 0.00012 79 4YY 0.00051 -0.00137 0.00036 -0.00118 -0.00021 80 4ZZ -0.00049 0.00226 0.00066 0.00161 0.00010 81 4XY -0.00114 -0.00075 -0.00018 -0.00084 0.00020 82 4XZ 0.00027 0.00192 -0.00021 0.00236 0.00014 83 4YZ 0.00211 -0.00125 0.00038 0.00342 -0.00004 84 10 H 1S -0.00363 0.00075 -0.00948 0.02494 0.00137 85 2S 0.00095 0.00615 -0.00184 0.02862 0.00250 86 11 H 1S 0.01106 -0.00908 -0.00455 0.00282 -0.00024 87 2S 0.01064 -0.02203 -0.00340 -0.00193 -0.00114 88 12 C 1S -0.00157 0.00447 -0.00706 -0.00574 0.00165 89 2S 0.01520 -0.01065 0.01662 0.02431 -0.00383 90 2PX 0.03863 0.00009 0.00296 0.01554 -0.00731 91 2PY -0.03611 0.00741 -0.01290 -0.05077 0.00064 92 2PZ -0.11063 0.03887 -0.01873 -0.09079 0.00543 93 3S 0.00027 -0.04855 0.02855 -0.00064 -0.00364 94 3PX 0.01156 -0.00166 -0.00036 0.00756 -0.00317 95 3PY -0.00985 0.00131 -0.00472 -0.02374 0.00081 96 3PZ -0.02322 0.01622 -0.00270 -0.04787 0.00128 97 4XX -0.00464 0.00411 0.00008 0.00010 0.00055 98 4YY -0.00178 0.00125 -0.00342 -0.00015 -0.00011 99 4ZZ 0.00861 -0.00456 0.00229 -0.00148 -0.00043 100 4XY -0.00249 -0.00118 0.00060 -0.00104 0.00026 101 4XZ -0.00332 -0.00506 -0.00034 -0.00513 -0.00024 102 4YZ 0.00611 -0.00154 -0.00277 0.00415 -0.00030 103 13 H 1S -0.03205 0.01670 0.00583 0.00224 0.00458 104 2S -0.04471 0.04625 -0.00375 0.01697 0.00610 105 14 H 1S -0.01620 -0.00410 0.00735 -0.02955 -0.00245 106 2S -0.01437 -0.01449 0.00681 -0.04307 -0.00104 107 15 C 1S 0.00480 -0.00167 -0.00190 0.00394 -0.00149 108 2S 0.00186 0.00233 0.00683 -0.00718 0.00263 109 2PX 0.00871 -0.06597 0.01516 -0.05402 0.00495 110 2PY -0.00304 0.01546 -0.00278 0.01962 -0.00345 111 2PZ 0.03423 -0.06250 0.01955 -0.05025 0.00290 112 3S 0.00630 -0.00812 0.01658 -0.00655 0.00471 113 3PX 0.01128 -0.04898 0.01404 -0.04816 0.00306 114 3PY -0.00143 0.01368 -0.00008 0.01789 -0.00193 115 3PZ 0.01274 -0.04713 0.01039 -0.03225 0.00246 116 4XX 0.00710 -0.00462 0.00312 -0.00457 -0.00044 117 4YY -0.00221 0.00123 -0.00110 0.00142 0.00004 118 4ZZ -0.00430 0.00195 -0.00250 0.00257 0.00018 119 4XY 0.00026 0.00166 0.00186 0.00108 0.00037 120 4XZ 0.00173 -0.00304 0.00074 -0.00144 -0.00022 121 4YZ 0.00001 0.00252 0.00115 -0.00021 0.00043 122 16 H 1S -0.01931 0.02448 -0.00640 0.01185 0.00237 123 2S -0.02500 0.02489 -0.01123 0.01822 0.00128 124 17 C 1S -0.00041 -0.00316 -0.00096 -0.00133 -0.00050 125 2S -0.00630 0.00578 -0.00158 0.00432 0.00122 126 2PX 0.01557 0.01636 0.02120 0.00018 0.00641 127 2PY 0.00891 -0.01836 0.00080 -0.01977 0.00217 128 2PZ 0.00403 0.02231 0.01478 -0.00083 0.00550 129 3S -0.00132 0.00668 -0.00009 -0.00730 0.00314 130 3PX 0.00106 0.01951 0.01031 0.00994 0.00456 131 3PY 0.00792 0.00138 0.00610 -0.00097 0.00246 132 3PZ 0.00823 0.02252 0.01126 -0.00260 0.00447 133 4XX 0.00048 0.00096 0.00073 0.00043 0.00002 134 4YY 0.00091 -0.00001 0.00034 -0.00014 0.00001 135 4ZZ -0.00076 -0.00058 -0.00107 -0.00012 -0.00011 136 4XY -0.00075 0.00378 -0.00101 0.00331 -0.00023 137 4XZ 0.00093 0.00169 0.00100 0.00148 0.00002 138 4YZ -0.00172 0.00389 -0.00112 0.00306 -0.00021 139 18 H 1S 0.00328 -0.01992 -0.00383 -0.01167 -0.00039 140 2S 0.00517 -0.02253 -0.00366 -0.01653 -0.00120 141 19 O 1S -0.00071 0.00229 -0.00273 -0.00409 0.00035 142 2S 0.00712 -0.00370 0.00815 0.00911 -0.00046 143 2PX -0.05998 0.03309 -0.03521 0.03600 0.00292 144 2PY 0.03809 0.01203 0.00563 -0.01762 -0.00032 145 2PZ -0.09354 0.02395 -0.05506 0.04414 0.00200 146 3S 0.00109 -0.00859 0.00725 0.00833 -0.00246 147 3PX -0.04680 0.02870 -0.02786 0.02874 0.00148 148 3PY 0.02468 0.00705 0.00352 -0.01326 -0.00033 149 3PZ -0.06946 0.02564 -0.04135 0.04027 0.00128 150 4XX -0.00102 -0.00167 -0.00027 -0.00090 0.00033 151 4YY 0.00234 0.00115 0.00012 -0.00071 -0.00001 152 4ZZ 0.00015 0.00190 0.00022 0.00145 -0.00001 153 4XY -0.00188 0.00172 -0.00110 0.00119 0.00010 154 4XZ -0.00061 -0.00059 -0.00050 -0.00008 0.00002 155 4YZ -0.00342 0.00027 -0.00176 0.00115 0.00021 156 20 O 1S 0.00478 -0.00035 0.00293 -0.00037 0.00005 157 2S -0.01174 -0.00061 -0.00710 -0.00262 0.00009 158 2PX -0.01335 -0.00596 -0.01712 -0.00465 -0.00283 159 2PY 0.01501 0.01028 0.00352 0.00624 -0.00057 160 2PZ -0.00932 0.00680 -0.01285 0.01132 -0.00299 161 3S -0.02203 0.00579 -0.01076 0.01414 -0.00127 162 3PX -0.00986 -0.00762 -0.01264 -0.00164 -0.00284 163 3PY 0.01201 0.00555 0.00297 0.00117 -0.00037 164 3PZ -0.00803 0.00209 -0.01195 0.00635 -0.00270 165 4XX -0.00027 0.00061 0.00014 -0.00022 0.00027 166 4YY -0.00009 -0.00059 -0.00005 -0.00108 0.00006 167 4ZZ 0.00112 -0.00155 0.00034 -0.00116 -0.00011 168 4XY 0.00078 -0.00003 0.00065 -0.00012 0.00012 169 4XZ 0.00042 0.00039 0.00024 0.00009 0.00002 170 4YZ -0.00012 0.00021 0.00012 0.00030 -0.00002 171 21 C 1S -0.00426 0.00078 -0.00192 0.00078 0.00004 172 2S 0.00569 -0.00093 0.00098 -0.00391 0.00020 173 2PX 0.01576 -0.00106 0.00454 -0.00863 -0.00021 174 2PY -0.00791 -0.00267 0.00139 0.00227 0.00035 175 2PZ 0.01034 0.00058 0.00639 0.00421 -0.00101 176 3S 0.00771 -0.00512 0.00323 -0.00671 0.00069 177 3PX 0.00050 0.00104 -0.00154 -0.00250 0.00030 178 3PY 0.00407 -0.00170 0.00207 -0.00056 -0.00023 179 3PZ -0.00683 0.00526 -0.00532 0.00991 -0.00113 180 4XX -0.00397 0.00129 -0.00246 0.00156 0.00006 181 4YY -0.00117 -0.00005 -0.00051 0.00071 -0.00003 182 4ZZ 0.00502 -0.00110 0.00301 -0.00210 -0.00004 183 4XY 0.00072 -0.00172 0.00061 -0.00133 -0.00015 184 4XZ -0.00051 -0.00014 0.00009 0.00040 0.00006 185 4YZ 0.00381 -0.00104 0.00135 -0.00158 -0.00024 186 22 H 1S -0.01830 0.00439 -0.01005 0.00826 0.00012 187 2S -0.02964 0.00964 -0.01782 0.01473 -0.00027 188 23 H 1S 0.02153 -0.00376 0.01271 -0.00669 -0.00018 189 2S 0.03426 -0.00897 0.02256 -0.01660 0.00052 11 12 13 14 15 11 4YY 0.00186 12 4ZZ -0.00073 0.00145 13 4XY 0.00013 -0.00035 0.00042 14 4XZ 0.00039 -0.00006 -0.00009 0.00069 15 4YZ 0.00011 0.00004 -0.00027 0.00008 0.00065 16 2 H 1S 0.01671 -0.00993 0.00154 0.00194 0.00173 17 2S 0.01588 -0.00874 0.00134 0.00309 0.00107 18 3 C 1S 0.00152 0.00017 -0.00334 0.00414 0.00299 19 2S -0.00337 -0.00118 0.00666 -0.00765 -0.00600 20 2PX 0.00152 -0.00180 -0.00345 0.00319 0.00807 21 2PY 0.01234 -0.00099 0.00257 0.00662 -0.00164 22 2PZ -0.00142 -0.01328 0.00807 -0.00046 -0.00179 23 3S -0.00595 0.00226 0.00402 -0.00597 -0.00438 24 3PX 0.00072 -0.00471 0.00043 0.00114 0.00323 25 3PY 0.00312 0.00133 -0.00007 0.00283 0.00034 26 3PZ -0.00082 -0.00632 0.00233 0.00064 0.00096 27 4XX -0.00024 0.00025 -0.00028 0.00009 0.00001 28 4YY 0.00096 -0.00038 0.00009 0.00031 0.00002 29 4ZZ -0.00047 0.00030 -0.00028 -0.00010 0.00044 30 4XY 0.00024 -0.00056 0.00027 0.00010 -0.00010 31 4XZ 0.00056 -0.00018 -0.00003 0.00045 -0.00005 32 4YZ -0.00029 0.00043 -0.00026 0.00003 0.00013 33 4 H 1S -0.00535 0.00632 -0.00349 -0.00387 0.00210 34 2S -0.00517 0.00695 -0.00519 -0.00177 0.00392 35 5 C 1S -0.00185 0.00071 -0.00099 -0.00064 0.00075 36 2S 0.00439 -0.00116 0.00185 0.00123 -0.00144 37 2PX -0.00163 -0.00388 0.00107 0.00246 0.00232 38 2PY -0.00979 0.00242 -0.00568 -0.00139 0.00451 39 2PZ 0.00043 -0.00350 0.00146 0.00178 0.00112 40 3S 0.00673 -0.00420 0.00341 0.00159 -0.00235 41 3PX -0.00057 -0.00209 -0.00024 0.00231 0.00190 42 3PY -0.00499 0.00247 -0.00201 -0.00038 0.00138 43 3PZ -0.00061 -0.00267 0.00151 0.00107 0.00022 44 4XX -0.00015 0.00001 -0.00021 -0.00001 0.00008 45 4YY -0.00003 -0.00001 0.00031 -0.00021 -0.00023 46 4ZZ -0.00027 0.00015 -0.00018 -0.00003 0.00018 47 4XY -0.00013 0.00015 0.00009 -0.00008 -0.00029 48 4XZ 0.00009 0.00001 0.00005 0.00004 -0.00004 49 4YZ 0.00012 0.00047 -0.00023 0.00001 0.00003 50 6 H 1S -0.00257 0.00002 -0.00085 -0.00030 0.00057 51 2S -0.00387 -0.00050 -0.00037 -0.00117 0.00017 52 7 C 1S -0.00084 -0.00046 0.00044 -0.00005 0.00001 53 2S 0.00068 0.00014 -0.00070 -0.00038 -0.00004 54 2PX -0.00196 0.00232 -0.00076 0.00001 0.00160 55 2PY -0.00122 0.00074 0.00097 0.00024 0.00042 56 2PZ -0.00053 0.00066 0.00146 -0.00002 -0.00128 57 3S 0.00050 0.00055 -0.00203 0.00018 0.00050 58 3PX -0.00169 0.00204 -0.00098 -0.00004 0.00116 59 3PY 0.00039 -0.00018 0.00099 -0.00026 0.00008 60 3PZ -0.00020 0.00145 0.00104 0.00010 -0.00136 61 4XX -0.00016 -0.00017 -0.00001 0.00018 0.00007 62 4YY 0.00037 -0.00008 0.00015 0.00005 0.00004 63 4ZZ -0.00008 0.00018 -0.00005 -0.00012 -0.00014 64 4XY -0.00015 0.00005 -0.00013 -0.00004 0.00005 65 4XZ 0.00005 -0.00012 0.00004 0.00005 0.00000 66 4YZ -0.00004 0.00014 0.00005 0.00000 -0.00025 67 8 H 1S 0.00086 -0.00008 0.00059 0.00023 0.00041 68 2S 0.00150 -0.00030 0.00078 0.00062 0.00057 69 9 C 1S -0.00148 0.00048 0.00035 -0.00008 -0.00111 70 2S 0.00319 -0.00116 -0.00074 0.00026 0.00199 71 2PX 0.00054 -0.00019 0.00001 -0.00081 0.00033 72 2PY -0.00817 0.00391 0.00174 -0.00099 -0.00725 73 2PZ -0.00101 0.00006 0.00057 0.00056 -0.00108 74 3S 0.00540 -0.00337 -0.00077 0.00033 0.00251 75 3PX 0.00059 -0.00022 0.00018 -0.00058 0.00018 76 3PY -0.00566 0.00313 0.00046 -0.00110 -0.00319 77 3PZ 0.00002 -0.00023 0.00014 0.00060 -0.00055 78 4XX -0.00023 0.00006 0.00006 0.00005 -0.00021 79 4YY 0.00009 0.00022 -0.00008 -0.00008 0.00034 80 4ZZ -0.00009 -0.00005 0.00001 -0.00003 -0.00021 81 4XY 0.00003 -0.00017 -0.00002 -0.00028 -0.00007 82 4XZ 0.00003 -0.00008 -0.00002 0.00001 -0.00004 83 4YZ -0.00020 0.00002 -0.00012 -0.00009 0.00018 84 10 H 1S -0.00100 -0.00013 0.00010 -0.00069 -0.00105 85 2S -0.00203 -0.00038 -0.00006 -0.00099 -0.00117 86 11 H 1S -0.00155 0.00123 0.00019 0.00082 -0.00098 87 2S -0.00211 0.00239 0.00041 0.00093 -0.00076 88 12 C 1S 0.00169 -0.00512 0.00133 0.00200 -0.00339 89 2S -0.00347 0.00885 -0.00249 -0.00368 0.00663 90 2PX -0.00096 0.00571 0.00080 0.00910 0.00319 91 2PY 0.00949 -0.00772 -0.00066 0.00272 0.00441 92 2PZ 0.00367 0.00067 0.00406 0.00360 -0.00853 93 3S -0.00686 0.01172 -0.00382 -0.00373 0.00653 94 3PX -0.00064 0.00266 0.00043 0.00421 0.00139 95 3PY 0.00361 -0.00391 0.00012 0.00107 0.00184 96 3PZ 0.00257 -0.00033 0.00240 0.00118 -0.00426 97 4XX -0.00029 0.00004 0.00017 -0.00027 -0.00039 98 4YY 0.00084 -0.00055 -0.00004 0.00019 0.00020 99 4ZZ -0.00039 0.00029 0.00001 0.00011 -0.00009 100 4XY -0.00005 -0.00009 -0.00006 -0.00038 -0.00013 101 4XZ 0.00016 0.00052 -0.00012 0.00062 -0.00011 102 4YZ 0.00031 -0.00033 -0.00008 -0.00002 0.00031 103 13 H 1S -0.00286 0.00115 0.00002 -0.00706 -0.00220 104 2S -0.00198 -0.00221 0.00148 -0.00574 -0.00328 105 14 H 1S -0.00242 0.00811 0.00105 0.00401 -0.00145 106 2S -0.00165 0.00535 0.00102 0.00503 -0.00280 107 15 C 1S 0.00012 -0.00031 0.00016 -0.00081 0.00007 108 2S -0.00134 -0.00051 -0.00064 0.00232 -0.00042 109 2PX -0.00229 -0.00005 -0.00255 0.00540 -0.00117 110 2PY 0.00230 -0.00011 -0.00040 -0.00261 -0.00041 111 2PZ -0.00079 -0.00138 -0.00184 0.00199 -0.00099 112 3S -0.00363 -0.00023 -0.00142 0.00284 0.00038 113 3PX -0.00184 0.00014 -0.00135 0.00369 -0.00132 114 3PY -0.00001 0.00089 -0.00003 -0.00203 0.00011 115 3PZ -0.00113 -0.00026 -0.00168 0.00204 0.00000 116 4XX 0.00003 0.00011 0.00002 -0.00022 -0.00008 117 4YY 0.00015 -0.00007 -0.00001 0.00004 0.00001 118 4ZZ -0.00003 0.00003 0.00004 0.00003 0.00010 119 4XY -0.00013 -0.00018 -0.00002 0.00006 0.00001 120 4XZ 0.00003 0.00010 -0.00009 -0.00004 0.00000 121 4YZ -0.00015 -0.00011 -0.00003 0.00023 -0.00001 122 16 H 1S -0.00130 0.00016 0.00041 0.00177 0.00041 123 2S -0.00061 0.00053 0.00025 0.00071 0.00066 124 17 C 1S -0.00011 0.00057 0.00027 -0.00026 0.00015 125 2S 0.00040 -0.00090 -0.00041 0.00034 -0.00011 126 2PX -0.00097 -0.00319 -0.00142 0.00301 -0.00054 127 2PY -0.00126 -0.00002 0.00057 0.00108 0.00046 128 2PZ -0.00060 -0.00255 -0.00099 0.00227 -0.00052 129 3S 0.00159 -0.00306 -0.00029 0.00172 -0.00054 130 3PX -0.00070 -0.00203 -0.00087 0.00155 -0.00013 131 3PY -0.00134 -0.00063 0.00000 0.00054 0.00041 132 3PZ -0.00045 -0.00255 -0.00032 0.00176 -0.00045 133 4XX -0.00003 -0.00003 0.00001 0.00002 -0.00004 134 4YY 0.00000 -0.00004 -0.00002 0.00003 -0.00001 135 4ZZ 0.00000 0.00012 0.00007 -0.00008 0.00007 136 4XY 0.00013 -0.00002 0.00010 -0.00023 0.00004 137 4XZ 0.00001 -0.00009 -0.00005 -0.00002 0.00000 138 4YZ 0.00009 0.00009 0.00009 -0.00015 0.00002 139 18 H 1S -0.00023 0.00048 0.00024 -0.00001 0.00028 140 2S -0.00024 0.00102 0.00025 -0.00013 0.00010 141 19 O 1S 0.00017 0.00016 -0.00005 0.00011 0.00000 142 2S -0.00051 -0.00055 0.00017 -0.00025 0.00013 143 2PX -0.00016 -0.00087 0.00093 0.00017 0.00009 144 2PY 0.00000 0.00000 0.00031 -0.00046 -0.00005 145 2PZ 0.00057 0.00045 -0.00014 0.00175 0.00007 146 3S 0.00011 0.00027 0.00047 -0.00070 -0.00070 147 3PX 0.00020 -0.00035 0.00083 -0.00011 -0.00009 148 3PY 0.00005 0.00008 0.00030 -0.00019 -0.00017 149 3PZ 0.00055 0.00015 0.00014 0.00076 0.00036 150 4XX -0.00011 -0.00007 -0.00008 0.00020 0.00001 151 4YY 0.00002 -0.00005 0.00002 -0.00001 0.00004 152 4ZZ -0.00003 -0.00002 0.00004 -0.00007 0.00006 153 4XY 0.00001 -0.00005 0.00003 -0.00002 -0.00002 154 4XZ 0.00003 0.00000 -0.00003 -0.00005 0.00000 155 4YZ -0.00004 0.00000 -0.00003 0.00017 0.00002 156 20 O 1S -0.00013 -0.00024 -0.00001 0.00001 -0.00001 157 2S 0.00025 0.00047 0.00007 0.00013 -0.00003 158 2PX 0.00074 0.00252 0.00087 -0.00148 0.00035 159 2PY 0.00051 -0.00016 -0.00024 -0.00050 0.00001 160 2PZ 0.00126 0.00185 0.00054 -0.00179 0.00037 161 3S 0.00029 0.00151 -0.00020 -0.00050 0.00001 162 3PX 0.00057 0.00228 0.00058 -0.00134 0.00031 163 3PY 0.00046 -0.00020 -0.00018 -0.00030 -0.00001 164 3PZ 0.00101 0.00155 0.00056 -0.00155 0.00032 165 4XX -0.00002 -0.00012 -0.00002 0.00009 0.00000 166 4YY -0.00002 -0.00004 0.00003 0.00004 -0.00001 167 4ZZ -0.00001 0.00003 0.00002 -0.00003 0.00001 168 4XY -0.00005 -0.00008 -0.00001 0.00007 -0.00001 169 4XZ -0.00001 -0.00002 0.00000 0.00001 0.00000 170 4YZ 0.00000 -0.00004 -0.00001 -0.00002 -0.00002 171 21 C 1S 0.00013 0.00003 0.00003 -0.00016 -0.00007 172 2S -0.00018 0.00009 0.00003 0.00059 0.00011 173 2PX -0.00006 0.00010 0.00012 0.00040 0.00005 174 2PY -0.00002 -0.00026 0.00017 -0.00029 -0.00002 175 2PZ 0.00037 0.00014 0.00013 -0.00018 0.00016 176 3S -0.00020 -0.00002 -0.00016 0.00112 0.00013 177 3PX 0.00012 -0.00010 0.00009 0.00002 0.00009 178 3PY 0.00008 -0.00009 0.00006 -0.00014 0.00004 179 3PZ 0.00041 0.00050 0.00026 -0.00024 0.00028 180 4XX 0.00002 0.00004 0.00004 -0.00007 0.00002 181 4YY 0.00002 0.00002 -0.00003 0.00003 0.00000 182 4ZZ -0.00004 -0.00008 -0.00001 0.00000 -0.00001 183 4XY 0.00002 0.00010 0.00001 -0.00004 0.00001 184 4XZ -0.00002 -0.00001 -0.00002 0.00002 0.00000 185 4YZ 0.00002 0.00009 0.00000 -0.00009 0.00001 186 22 H 1S 0.00009 0.00020 0.00012 -0.00031 0.00004 187 2S 0.00042 0.00041 0.00035 -0.00087 0.00012 188 23 H 1S -0.00012 -0.00023 0.00000 0.00017 -0.00002 189 2S -0.00042 -0.00083 -0.00028 0.00005 -0.00029 16 17 18 19 20 16 2 H 1S 0.21713 17 2S 0.17587 0.16496 18 3 C 1S 0.01211 0.01362 2.05271 19 2S -0.02454 -0.02472 -0.06213 0.32497 20 2PX 0.02452 0.04775 -0.00132 -0.00227 0.36894 21 2PY 0.03578 0.07147 0.00053 0.00162 -0.00010 22 2PZ -0.01200 -0.01043 -0.00083 0.00776 -0.03335 23 3S -0.06199 -0.05921 -0.16066 0.24763 0.01951 24 3PX 0.01711 0.02893 -0.00664 0.02275 0.18139 25 3PY 0.00231 0.00595 0.00378 -0.01619 -0.01324 26 3PZ -0.00667 -0.00121 0.00495 -0.01463 0.05966 27 4XX -0.00145 -0.00307 -0.01431 -0.00947 -0.00800 28 4YY 0.00807 0.00889 -0.01699 -0.00308 0.00425 29 4ZZ -0.00274 -0.00330 -0.01612 -0.00534 0.00691 30 4XY 0.00410 0.00214 0.00088 -0.00123 -0.00498 31 4XZ 0.00313 0.00474 0.00455 -0.00945 -0.00069 32 4YZ -0.00348 -0.00261 -0.00203 0.00342 0.00948 33 4 H 1S -0.02290 -0.02758 -0.06015 0.11224 0.13269 34 2S -0.02724 -0.03410 -0.01303 0.02495 0.12156 35 5 C 1S -0.00849 -0.01195 0.01672 -0.03254 -0.00476 36 2S 0.01865 0.02528 -0.03254 0.05577 0.01022 37 2PX -0.00142 -0.01048 -0.00482 0.01034 0.11574 38 2PY -0.03521 -0.06880 0.07797 -0.16058 -0.00835 39 2PZ 0.00129 0.00302 -0.00353 0.00077 0.08835 40 3S 0.05608 0.06422 -0.00468 0.03452 0.00795 41 3PX -0.00085 -0.00660 -0.00094 -0.00533 0.08532 42 3PY -0.03258 -0.04800 0.01401 -0.04351 -0.01546 43 3PZ -0.00071 -0.00212 -0.00370 0.00935 0.04786 44 4XX -0.00029 -0.00007 0.00249 -0.00553 -0.00009 45 4YY -0.00127 -0.00118 -0.00695 0.01218 -0.00110 46 4ZZ -0.00082 -0.00192 0.00269 -0.00612 -0.00091 47 4XY -0.00167 -0.00248 0.00016 0.00020 -0.01297 48 4XZ 0.00027 0.00048 -0.00058 0.00150 0.00060 49 4YZ 0.00090 0.00055 -0.00019 -0.00008 0.00005 50 6 H 1S -0.00941 -0.02008 0.01228 -0.02561 -0.01874 51 2S -0.01833 -0.02683 0.01464 -0.02567 -0.03386 52 7 C 1S -0.00252 -0.00361 -0.00340 0.00831 -0.00083 53 2S 0.00795 0.01394 0.00823 -0.01879 0.00176 54 2PX -0.01086 -0.03426 0.00833 -0.02657 -0.00636 55 2PY -0.00924 -0.02540 -0.01166 0.02673 -0.00246 56 2PZ -0.00290 -0.00575 -0.00447 0.01371 -0.02038 57 3S 0.00544 0.01444 0.00598 -0.02040 0.03768 58 3PX -0.01173 -0.02811 0.00437 -0.01396 -0.00484 59 3PY 0.00990 0.00402 -0.00283 0.01068 -0.00146 60 3PZ -0.00324 -0.00900 -0.00411 0.00853 -0.03957 61 4XX -0.00021 -0.00090 0.00055 -0.00122 0.00655 62 4YY 0.00086 0.00150 -0.00184 0.00438 -0.00164 63 4ZZ -0.00008 -0.00030 0.00071 -0.00115 -0.00388 64 4XY -0.00059 -0.00079 0.00100 -0.00186 -0.00105 65 4XZ 0.00022 0.00062 -0.00063 0.00122 0.00247 66 4YZ -0.00041 -0.00057 -0.00076 0.00146 -0.00231 67 8 H 1S 0.00159 -0.00152 -0.00849 0.01865 -0.00149 68 2S -0.00152 -0.00431 -0.01195 0.02528 -0.01063 69 9 C 1S -0.00717 -0.00907 -0.00267 0.00503 -0.00128 70 2S 0.01458 0.01876 0.00480 -0.00884 -0.00214 71 2PX 0.00152 0.00485 0.00207 -0.00443 -0.00673 72 2PY -0.03618 -0.06044 -0.00389 0.00856 -0.02850 73 2PZ -0.00437 -0.02000 -0.00787 0.01255 0.01130 74 3S 0.04598 0.05205 0.01325 -0.02296 0.02357 75 3PX 0.00396 0.00611 0.00105 -0.00171 -0.00050 76 3PY -0.03698 -0.04914 -0.00348 0.00737 -0.02763 77 3PZ -0.00022 -0.00663 -0.00485 0.00736 0.00609 78 4XX -0.00081 -0.00228 -0.00029 0.00034 0.00037 79 4YY -0.00011 0.00023 -0.00010 0.00025 -0.00061 80 4ZZ -0.00002 0.00043 0.00024 -0.00042 -0.00010 81 4XY 0.00030 0.00036 -0.00007 0.00035 -0.00023 82 4XZ 0.00020 0.00044 -0.00019 0.00044 0.00101 83 4YZ -0.00198 -0.00306 0.00019 -0.00081 0.00128 84 10 H 1S -0.00529 -0.01307 -0.00137 0.00184 0.00283 85 2S -0.01223 -0.01808 -0.00228 0.00336 0.01501 86 11 H 1S -0.00724 -0.01830 -0.00059 0.00017 -0.00192 87 2S -0.01155 -0.02513 -0.00092 -0.00024 -0.00528 88 12 C 1S 0.01166 0.01409 -0.00300 0.00562 -0.00514 89 2S -0.02374 -0.02636 0.00650 -0.01505 0.01444 90 2PX -0.00671 -0.01513 0.00840 -0.02187 -0.00069 91 2PY 0.03131 0.05911 -0.00130 0.00315 -0.00225 92 2PZ 0.03242 0.06674 -0.01208 0.03133 -0.04903 93 3S -0.06426 -0.06878 0.00759 -0.01648 -0.00173 94 3PX -0.00615 -0.00964 0.00455 -0.00904 -0.00128 95 3PY 0.00752 0.01767 -0.00410 0.00869 -0.00732 96 3PZ 0.02545 0.03804 -0.00802 0.01865 -0.04075 97 4XX -0.00156 -0.00043 -0.00114 0.00235 0.00087 98 4YY 0.00649 0.00718 0.00068 -0.00152 0.00309 99 4ZZ -0.00182 -0.00456 -0.00030 0.00016 -0.00630 100 4XY -0.00122 -0.00059 -0.00025 0.00073 -0.00134 101 4XZ 0.00093 0.00158 0.00130 -0.00292 -0.00158 102 4YZ 0.00479 0.00207 0.00054 -0.00141 0.00385 103 13 H 1S -0.01340 -0.00727 -0.00759 0.01927 -0.00229 104 2S -0.01058 -0.00004 -0.01116 0.02903 0.00211 105 14 H 1S -0.00897 -0.00496 0.00157 -0.00345 -0.02937 106 2S -0.00566 -0.00227 0.00141 -0.00403 -0.02938 107 15 C 1S 0.00407 0.00291 -0.00177 0.00269 -0.00918 108 2S -0.00632 -0.00295 0.00264 -0.00451 0.02098 109 2PX -0.01724 -0.02258 0.00503 -0.01912 0.03134 110 2PY 0.01445 0.01728 -0.00170 0.00505 -0.01827 111 2PZ -0.00485 -0.01180 0.00223 -0.00609 0.00577 112 3S -0.02945 -0.02842 0.00361 -0.01130 0.05382 113 3PX -0.01401 -0.01788 0.00659 -0.01009 0.00582 114 3PY -0.00483 -0.00474 -0.00256 0.00681 -0.01977 115 3PZ -0.00814 -0.01338 0.00154 -0.01149 0.02462 116 4XX 0.00033 -0.00067 -0.00079 0.00083 -0.00597 117 4YY 0.00112 0.00160 -0.00013 -0.00023 0.00211 118 4ZZ -0.00055 -0.00050 -0.00029 0.00012 0.00136 119 4XY -0.00137 -0.00016 -0.00016 0.00026 0.00433 120 4XZ 0.00012 -0.00045 0.00048 -0.00092 -0.00195 121 4YZ -0.00126 -0.00062 0.00029 -0.00044 0.00517 122 16 H 1S -0.00803 -0.00414 0.00083 -0.00297 0.02681 123 2S -0.00432 -0.00114 0.00006 -0.00133 0.01962 124 17 C 1S -0.00153 -0.00260 -0.00069 0.00138 -0.01091 125 2S 0.00204 0.00374 0.00058 -0.00174 0.02275 126 2PX -0.00478 0.00461 0.00297 -0.00822 0.07774 127 2PY -0.00967 -0.01639 -0.00009 -0.00136 0.01157 128 2PZ -0.00401 0.00634 0.00129 -0.00392 0.05900 129 3S 0.02034 0.02617 0.00391 -0.00679 0.05266 130 3PX -0.00386 0.00365 0.00129 -0.00640 0.05979 131 3PY -0.01134 -0.01244 -0.00151 0.00182 0.02880 132 3PZ -0.00078 0.00667 0.00188 -0.00094 0.04676 133 4XX -0.00022 0.00028 -0.00022 0.00029 -0.00078 134 4YY 0.00017 0.00015 -0.00006 0.00020 0.00040 135 4ZZ -0.00023 -0.00083 -0.00029 0.00039 -0.00168 136 4XY 0.00115 0.00147 -0.00007 0.00073 -0.00111 137 4XZ 0.00025 0.00089 0.00015 -0.00017 0.00113 138 4YZ 0.00057 0.00104 -0.00021 0.00063 -0.00165 139 18 H 1S -0.00202 -0.00893 0.00040 -0.00106 -0.00592 140 2S -0.00285 -0.01062 0.00059 -0.00059 -0.02536 141 19 O 1S 0.00030 -0.00251 0.00025 -0.00139 0.00321 142 2S -0.00115 0.00538 -0.00129 0.00317 -0.00263 143 2PX -0.00312 0.00055 -0.00316 0.01245 -0.00850 144 2PY 0.00246 -0.00900 0.00082 0.00223 -0.00005 145 2PZ -0.00082 -0.00038 -0.00061 0.00106 -0.00171 146 3S 0.00162 0.01042 0.00114 0.00790 -0.03867 147 3PX -0.00070 0.00214 -0.00189 0.01050 -0.01367 148 3PY 0.00216 -0.00529 0.00094 0.00179 -0.00429 149 3PZ 0.00107 0.00269 -0.00173 0.00209 0.00207 150 4XX -0.00077 -0.00088 -0.00008 -0.00055 0.00230 151 4YY 0.00045 -0.00030 -0.00033 -0.00005 0.00141 152 4ZZ -0.00011 0.00018 -0.00035 0.00000 0.00131 153 4XY -0.00008 0.00009 -0.00003 0.00064 -0.00059 154 4XZ 0.00013 -0.00014 -0.00017 -0.00006 0.00018 155 4YZ -0.00054 -0.00048 -0.00007 -0.00021 0.00132 156 20 O 1S 0.00027 0.00065 0.00003 0.00038 0.00239 157 2S -0.00065 -0.00183 0.00010 -0.00105 -0.00426 158 2PX 0.00042 -0.00849 -0.00146 0.00393 -0.04298 159 2PY 0.00412 0.00307 0.00082 0.00067 -0.00099 160 2PZ 0.00615 0.00136 -0.00083 0.00298 -0.03254 161 3S -0.00283 -0.00273 -0.00062 -0.00216 -0.01713 162 3PX 0.00000 -0.00712 -0.00134 0.00261 -0.03875 163 3PY 0.00402 0.00308 0.00076 0.00013 -0.00028 164 3PZ 0.00529 0.00042 -0.00103 0.00347 -0.03007 165 4XX -0.00014 0.00008 0.00009 -0.00010 0.00275 166 4YY 0.00004 -0.00003 0.00004 0.00005 0.00045 167 4ZZ 0.00006 -0.00023 0.00014 -0.00011 -0.00128 168 4XY -0.00017 0.00002 0.00003 -0.00009 0.00141 169 4XZ 0.00000 0.00006 -0.00002 0.00004 0.00042 170 4YZ 0.00008 0.00028 -0.00002 0.00009 0.00003 171 21 C 1S 0.00003 0.00032 -0.00034 0.00050 -0.00186 172 2S -0.00057 -0.00250 0.00067 -0.00179 0.00524 173 2PX 0.00048 -0.00236 0.00089 -0.00226 0.00497 174 2PY -0.00079 0.00310 -0.00109 0.00156 -0.00102 175 2PZ 0.00233 0.00526 0.00031 0.00003 -0.00697 176 3S -0.00147 -0.00318 0.00165 -0.00331 0.01100 177 3PX 0.00031 -0.00077 -0.00030 0.00055 0.00236 178 3PY 0.00086 0.00099 -0.00028 0.00056 -0.00139 179 3PZ 0.00146 0.00219 -0.00027 0.00123 -0.01150 180 4XX -0.00016 -0.00032 -0.00023 0.00067 -0.00161 181 4YY 0.00008 0.00021 0.00009 -0.00031 0.00024 182 4ZZ 0.00006 0.00021 0.00007 -0.00029 0.00126 183 4XY 0.00003 -0.00011 0.00002 -0.00031 -0.00120 184 4XZ -0.00021 0.00000 0.00002 -0.00015 0.00061 185 4YZ 0.00029 -0.00036 0.00011 -0.00011 -0.00132 186 22 H 1S -0.00049 -0.00051 -0.00094 0.00273 -0.00762 187 2S 0.00055 0.00037 -0.00199 0.00548 -0.01681 188 23 H 1S 0.00045 0.00163 0.00063 -0.00138 0.00486 189 2S 0.00001 0.00217 0.00066 -0.00226 0.01322 21 22 23 24 25 21 2PY 0.41338 22 2PZ -0.00266 0.39021 23 3S 0.01126 -0.02945 0.25001 24 3PX -0.01275 0.07516 0.00533 0.11994 25 3PY 0.13841 -0.02575 0.00773 -0.02131 0.06235 26 3PZ -0.00571 0.16785 -0.01274 0.06572 -0.01393 27 4XX -0.00592 -0.00346 -0.00561 -0.00526 0.00007 28 4YY 0.01307 -0.00037 -0.00313 0.00157 0.00297 29 4ZZ -0.01026 -0.00258 -0.00245 0.00264 -0.00301 30 4XY -0.00027 0.01074 -0.00261 0.00016 0.00037 31 4XZ 0.00920 0.00221 -0.00814 -0.00040 0.00260 32 4YZ -0.00192 -0.01031 0.00706 0.00159 0.00073 33 4 H 1S -0.13056 -0.18760 0.11508 0.03244 -0.03905 34 2S -0.11767 -0.18096 0.05422 0.01791 -0.02553 35 5 C 1S -0.07796 -0.00366 -0.00467 -0.00094 -0.01399 36 2S 0.16057 0.00105 0.03449 -0.00532 0.04346 37 2PX 0.00865 0.08831 0.00801 0.08530 0.01558 38 2PY -0.31237 -0.00065 -0.12663 -0.01480 -0.09114 39 2PZ 0.00014 0.08701 0.05745 0.03722 0.01181 40 3S 0.12657 0.05763 -0.01750 0.01592 0.01401 41 3PX 0.01493 0.03724 0.01591 0.04727 0.01989 42 3PY -0.09114 -0.01202 -0.01406 -0.01985 -0.01363 43 3PZ -0.01865 0.07387 0.02529 0.03340 -0.00060 44 4XX -0.00873 -0.00018 -0.00630 0.00087 -0.00383 45 4YY 0.00581 0.00053 0.01204 0.00009 0.00269 46 4ZZ -0.00925 -0.00157 -0.00574 -0.00114 -0.00259 47 4XY 0.00144 -0.00017 -0.00227 -0.00623 0.00083 48 4XZ 0.00312 -0.00042 0.00358 0.00029 0.00185 49 4YZ 0.00024 -0.01358 0.00430 -0.00435 0.00193 50 6 H 1S -0.04296 0.01315 -0.06040 0.00249 -0.01988 51 2S -0.08637 0.03928 -0.06761 0.00572 -0.03822 52 7 C 1S 0.01223 0.00587 -0.00303 0.00672 0.00510 53 2S -0.03289 -0.01502 -0.01977 -0.00621 -0.01886 54 2PX -0.03170 -0.02712 0.05025 -0.04985 0.02115 55 2PY 0.03370 0.00712 0.09135 -0.00088 0.05079 56 2PZ 0.01506 -0.00548 -0.01047 -0.00959 0.00771 57 3S -0.02411 -0.04549 -0.00894 0.00718 -0.01227 58 3PX -0.01849 -0.03618 0.03718 -0.03348 0.01956 59 3PY -0.00566 0.01117 0.02368 0.00139 0.00589 60 3PZ 0.02542 -0.01411 0.01299 -0.03086 0.01854 61 4XX -0.00245 0.00490 -0.00039 0.00409 -0.00039 62 4YY 0.00977 0.00044 0.00672 -0.00057 0.00498 63 4ZZ -0.00241 -0.00350 -0.00419 -0.00209 -0.00246 64 4XY -0.00570 -0.00147 -0.00341 0.00024 -0.00201 65 4XZ 0.00137 0.00179 0.00158 0.00231 0.00038 66 4YZ 0.00453 -0.00110 0.00238 -0.00190 0.00140 67 8 H 1S 0.03520 0.00132 0.05610 -0.00091 0.03258 68 2S 0.06877 0.00308 0.06423 -0.00670 0.04801 69 9 C 1S 0.00374 0.00578 0.01090 -0.00010 0.00348 70 2S -0.00680 -0.01509 -0.02106 -0.00216 -0.00597 71 2PX -0.00761 -0.00881 -0.01306 -0.00579 -0.01724 72 2PY -0.01165 0.00379 0.01901 -0.01994 -0.00712 73 2PZ 0.02365 0.02040 0.07875 -0.00223 0.02445 74 3S -0.03011 -0.00949 -0.06109 0.01894 -0.02943 75 3PX -0.00180 -0.00164 -0.00818 -0.00074 -0.00911 76 3PY -0.00896 -0.00192 0.01687 -0.01749 -0.00057 77 3PZ 0.02430 0.00451 0.04100 -0.00215 0.01697 78 4XX -0.00022 0.00077 0.00343 -0.00066 0.00108 79 4YY 0.00192 -0.00177 0.00111 -0.00062 0.00183 80 4ZZ -0.00197 0.00058 -0.00283 0.00075 -0.00254 81 4XY -0.00100 0.00058 0.00078 -0.00013 -0.00123 82 4XZ 0.00088 0.00064 0.00001 0.00163 -0.00060 83 4YZ 0.00015 -0.00009 0.00128 -0.00001 0.00086 84 10 H 1S -0.00018 0.00655 0.02057 -0.00052 -0.00489 85 2S -0.00380 0.01955 0.01850 0.01190 -0.00768 86 11 H 1S 0.00229 -0.00059 0.01949 -0.00704 0.01406 87 2S 0.00697 -0.00755 0.02801 -0.01611 0.02151 88 12 C 1S -0.00156 0.01145 0.00522 -0.00086 -0.00404 89 2S 0.00595 -0.02805 -0.00899 -0.00032 0.00850 90 2PX 0.01090 -0.03290 -0.02766 -0.00839 0.02940 91 2PY 0.00421 0.00686 -0.00920 0.00779 0.00651 92 2PZ -0.00707 0.02309 0.00217 -0.01026 -0.03195 93 3S -0.01090 -0.07809 0.01671 -0.02529 0.02143 94 3PX 0.00744 -0.01499 -0.00631 -0.00641 0.01541 95 3PY 0.00447 0.02094 0.01090 0.00283 0.00709 96 3PZ 0.00835 0.02266 -0.00607 -0.00784 -0.01121 97 4XX -0.00219 0.00526 0.00156 0.00186 -0.00297 98 4YY 0.00171 -0.00200 -0.00276 0.00146 -0.00003 99 4ZZ -0.00095 -0.00133 0.00089 -0.00368 0.00189 100 4XY 0.00012 -0.00010 0.00125 -0.00085 -0.00104 101 4XZ 0.00304 -0.00927 -0.00203 -0.00285 0.00235 102 4YZ 0.00174 -0.00057 0.00073 0.00129 0.00182 103 13 H 1S -0.01535 0.03244 0.01768 0.00672 -0.02875 104 2S -0.02109 0.07094 0.02298 0.01673 -0.03784 105 14 H 1S 0.00309 -0.02864 -0.01227 -0.01938 0.00436 106 2S -0.00014 -0.02535 -0.01118 -0.01795 0.00457 107 15 C 1S 0.00006 -0.00379 0.00657 -0.00947 -0.00149 108 2S 0.00007 0.01059 -0.01521 0.02236 0.00031 109 2PX -0.00231 0.00560 0.01145 0.02157 0.01375 110 2PY 0.00155 -0.01158 0.00919 -0.01859 -0.00226 111 2PZ -0.00213 -0.00876 -0.00452 0.00993 0.00725 112 3S 0.00014 0.02755 -0.00258 0.04270 0.01057 113 3PX -0.00333 -0.00108 0.00197 0.00782 0.00925 114 3PY -0.00111 -0.01112 0.00723 -0.01494 -0.00065 115 3PZ -0.00218 -0.00974 0.00419 0.01262 0.01001 116 4XX 0.00039 -0.00411 -0.00147 -0.00314 0.00123 117 4YY 0.00021 0.00109 0.00114 0.00074 -0.00027 118 4ZZ 0.00021 0.00083 0.00122 0.00019 -0.00053 119 4XY -0.00101 0.00385 -0.00143 0.00422 -0.00157 120 4XZ 0.00046 -0.00186 0.00108 -0.00206 0.00123 121 4YZ -0.00090 0.00429 -0.00186 0.00491 -0.00049 122 16 H 1S -0.00212 0.02055 -0.00652 0.02163 -0.00340 123 2S -0.00408 0.00488 -0.00205 0.01154 -0.00511 124 17 C 1S 0.00262 -0.00738 0.00206 -0.00808 0.00240 125 2S -0.00401 0.01701 0.00406 0.01434 -0.00314 126 2PX -0.01576 0.05619 -0.03483 0.07588 -0.02108 127 2PY -0.00429 0.01171 -0.00098 0.01100 0.00156 128 2PZ -0.01021 0.04319 -0.02173 0.05756 -0.01038 129 3S -0.01296 0.03698 -0.01668 0.04063 -0.01632 130 3PX -0.01204 0.03995 -0.01867 0.05278 -0.01488 131 3PY -0.00193 0.02412 0.00033 0.02547 0.00058 132 3PZ -0.01429 0.04457 -0.02361 0.04977 -0.01442 133 4XX 0.00019 0.00000 -0.00099 0.00034 -0.00038 134 4YY 0.00036 0.00041 -0.00034 0.00066 0.00015 135 4ZZ 0.00028 -0.00081 0.00144 -0.00194 0.00055 136 4XY 0.00003 0.00003 -0.00062 -0.00071 -0.00100 137 4XZ -0.00034 0.00070 -0.00230 0.00172 -0.00120 138 4YZ 0.00047 -0.00060 0.00014 -0.00123 -0.00023 139 18 H 1S -0.00079 -0.00433 0.00810 -0.00939 0.00344 140 2S -0.00063 -0.01692 0.00615 -0.02182 0.00526 141 19 O 1S 0.00047 0.00086 0.00079 0.00141 0.00425 142 2S -0.00153 0.00027 -0.00746 0.00211 -0.00987 143 2PX -0.00183 0.00688 0.01252 -0.00809 -0.01631 144 2PY 0.00069 -0.00066 -0.03846 0.01578 0.00469 145 2PZ 0.00195 0.00447 0.04552 -0.02043 -0.00930 146 3S -0.00183 -0.01425 0.00167 -0.02446 -0.01277 147 3PX -0.00021 0.00372 0.01056 -0.01115 -0.01250 148 3PY 0.00011 -0.00181 -0.02537 0.00767 0.00281 149 3PZ 0.00177 0.00526 0.03122 -0.01275 -0.00868 150 4XX -0.00019 0.00099 0.00069 0.00147 0.00013 151 4YY -0.00003 0.00070 -0.00216 0.00173 0.00044 152 4ZZ -0.00039 0.00115 -0.00044 0.00103 -0.00032 153 4XY -0.00017 0.00032 -0.00004 -0.00020 -0.00066 154 4XZ 0.00001 -0.00009 0.00101 -0.00032 0.00012 155 4YZ -0.00016 0.00089 0.00163 0.00030 -0.00037 156 20 O 1S -0.00041 0.00198 -0.00543 0.00315 -0.00232 157 2S 0.00031 -0.00298 0.01365 -0.00674 0.00620 158 2PX 0.00709 -0.03009 0.02263 -0.04378 0.01543 159 2PY -0.00082 -0.00197 -0.01673 0.00770 -0.00395 160 2PZ 0.00410 -0.02199 0.01033 -0.03146 0.00328 161 3S 0.00388 -0.01807 0.01895 -0.01954 0.00642 162 3PX 0.00824 -0.03027 0.01846 -0.03914 0.01303 163 3PY -0.00032 -0.00154 -0.01304 0.00586 -0.00226 164 3PZ 0.00420 -0.01977 0.01202 -0.02948 0.00466 165 4XX -0.00069 0.00235 -0.00048 0.00241 -0.00063 166 4YY -0.00012 0.00073 0.00033 0.00017 0.00018 167 4ZZ -0.00010 -0.00096 -0.00012 -0.00105 0.00029 168 4XY -0.00026 0.00123 -0.00098 0.00170 -0.00061 169 4XZ -0.00002 0.00035 -0.00059 0.00059 -0.00016 170 4YZ 0.00013 0.00003 0.00006 0.00005 -0.00005 171 21 C 1S -0.00057 -0.00048 0.00278 -0.00243 -0.00033 172 2S 0.00022 0.00168 -0.00556 0.00495 0.00171 173 2PX 0.00063 0.00143 -0.01183 0.00674 0.00378 174 2PY -0.00156 0.00201 0.00972 -0.00402 -0.00215 175 2PZ 0.00135 -0.00801 -0.00514 -0.00461 0.00089 176 3S 0.00436 0.00234 -0.00760 0.00952 0.00351 177 3PX 0.00138 0.00357 -0.00089 0.00233 0.00133 178 3PY -0.00024 -0.00165 -0.00171 -0.00065 -0.00043 179 3PZ 0.00190 -0.00958 0.00305 -0.01171 0.00034 180 4XX -0.00012 -0.00048 0.00205 -0.00193 -0.00033 181 4YY 0.00000 0.00004 0.00078 -0.00018 -0.00022 182 4ZZ -0.00012 0.00030 -0.00280 0.00201 0.00042 183 4XY 0.00028 -0.00135 0.00118 -0.00160 0.00109 184 4XZ -0.00025 0.00047 0.00047 0.00030 -0.00027 185 4YZ 0.00029 -0.00148 -0.00188 -0.00041 0.00074 186 22 H 1S 0.00022 -0.00252 0.01086 -0.00926 -0.00201 187 2S 0.00112 -0.00553 0.01789 -0.01855 -0.00260 188 23 H 1S -0.00007 0.00085 -0.01201 0.00790 0.00188 189 2S -0.00430 0.00871 -0.01727 0.01853 0.00058 26 27 28 29 30 26 3PZ 0.09323 27 4XX -0.00248 0.00092 28 4YY 0.00080 -0.00023 0.00114 29 4ZZ 0.00046 0.00022 -0.00020 0.00089 30 4XY 0.00330 0.00019 0.00000 -0.00032 0.00095 31 4XZ 0.00112 0.00007 0.00048 -0.00026 0.00017 32 4YZ -0.00212 0.00003 -0.00015 0.00011 -0.00042 33 4 H 1S -0.05975 -0.00192 -0.00409 0.00552 -0.00785 34 2S -0.05145 0.00070 -0.00364 0.00648 -0.00773 35 5 C 1S -0.00373 0.00249 -0.00695 0.00269 -0.00015 36 2S 0.00944 -0.00552 0.01218 -0.00612 -0.00022 37 2PX 0.04782 -0.00012 -0.00107 -0.00092 0.01297 38 2PY 0.01845 0.00872 -0.00580 0.00926 0.00147 39 2PZ 0.07395 -0.00016 0.00048 -0.00152 0.00018 40 3S 0.02529 -0.00631 0.01206 -0.00575 0.00224 41 3PX 0.03344 0.00086 0.00009 -0.00114 0.00624 42 3PY 0.00056 0.00383 -0.00269 0.00260 0.00084 43 3PZ 0.04480 0.00016 -0.00090 -0.00105 0.00342 44 4XX 0.00015 0.00022 -0.00029 0.00036 -0.00031 45 4YY -0.00089 -0.00029 -0.00016 -0.00028 0.00013 46 4ZZ -0.00106 0.00036 -0.00028 0.00033 0.00028 47 4XY -0.00341 0.00031 -0.00013 -0.00028 0.00043 48 4XZ -0.00022 0.00000 -0.00023 -0.00005 -0.00005 49 4YZ -0.00545 0.00020 -0.00009 0.00003 -0.00050 50 6 H 1S -0.00282 0.00081 0.00187 0.00079 0.00512 51 2S 0.00220 0.00160 -0.00149 0.00191 0.00529 52 7 C 1S -0.00511 0.00018 -0.00096 -0.00025 0.00180 53 2S -0.00130 -0.00040 0.00213 0.00080 -0.00376 54 2PX 0.00970 0.00314 0.00146 -0.00073 0.00179 55 2PY -0.00099 0.00095 -0.00420 -0.00076 0.00591 56 2PZ -0.02947 0.00187 -0.00324 -0.00147 0.00819 57 3S -0.00388 0.00002 0.00134 0.00112 -0.00564 58 3PX -0.00649 0.00305 -0.00080 -0.00046 0.00236 59 3PY 0.00065 -0.00038 -0.00087 0.00001 0.00276 60 3PZ -0.02247 0.00162 -0.00086 -0.00207 0.00457 61 4XX 0.00388 0.00008 0.00005 -0.00004 0.00039 62 4YY -0.00061 -0.00015 -0.00003 -0.00027 0.00013 63 4ZZ -0.00267 0.00001 -0.00001 0.00015 -0.00015 64 4XY -0.00151 0.00021 -0.00031 0.00018 0.00009 65 4XZ 0.00107 -0.00001 -0.00021 -0.00003 0.00008 66 4YZ -0.00022 -0.00008 0.00023 -0.00018 -0.00029 67 8 H 1S -0.00067 -0.00029 -0.00127 -0.00082 0.00167 68 2S -0.00208 -0.00007 -0.00118 -0.00193 0.00249 69 9 C 1S 0.00343 0.00000 -0.00020 -0.00037 -0.00004 70 2S -0.00990 0.00002 0.00036 0.00057 0.00040 71 2PX -0.00097 -0.00032 -0.00065 0.00085 -0.00037 72 2PY -0.00334 0.00082 -0.00190 0.00047 -0.00034 73 2PZ 0.03400 -0.00066 0.00058 -0.00074 -0.00159 74 3S -0.00439 -0.00152 0.00206 0.00193 -0.00050 75 3PX 0.00004 -0.00053 0.00004 0.00043 -0.00021 76 3PY -0.00541 0.00108 -0.00223 0.00055 -0.00015 77 3PZ 0.01557 -0.00033 0.00056 -0.00068 -0.00145 78 4XX 0.00115 0.00006 0.00000 -0.00005 0.00006 79 4YY -0.00139 0.00004 -0.00008 0.00000 0.00012 80 4ZZ 0.00032 -0.00006 0.00004 0.00005 -0.00026 81 4XY 0.00081 0.00002 -0.00002 -0.00008 0.00008 82 4XZ 0.00082 -0.00009 -0.00005 0.00005 -0.00014 83 4YZ 0.00131 0.00003 -0.00008 0.00019 -0.00027 84 10 H 1S 0.01532 -0.00054 -0.00031 0.00069 -0.00159 85 2S 0.02316 -0.00055 -0.00064 0.00071 -0.00180 86 11 H 1S 0.00041 0.00055 0.00013 -0.00008 0.00000 87 2S -0.00391 0.00080 0.00005 -0.00012 0.00028 88 12 C 1S 0.00805 -0.00047 0.00081 -0.00156 0.00079 89 2S -0.01520 0.00036 -0.00158 0.00302 -0.00173 90 2PX -0.02847 0.00027 -0.00138 0.00378 -0.00102 91 2PY 0.00235 -0.00009 0.00124 -0.00209 0.00249 92 2PZ -0.00734 -0.00134 0.00398 -0.00733 0.00401 93 3S -0.03847 0.00277 -0.00436 0.00350 -0.00171 94 3PX -0.01190 0.00006 -0.00070 0.00170 -0.00039 95 3PY 0.00932 0.00007 -0.00008 -0.00118 0.00209 96 3PZ -0.00483 -0.00042 0.00204 -0.00435 0.00270 97 4XX 0.00260 -0.00019 0.00007 -0.00013 0.00005 98 4YY -0.00033 -0.00015 0.00035 -0.00005 0.00000 99 4ZZ -0.00192 0.00036 -0.00033 0.00002 0.00010 100 4XY 0.00038 0.00004 -0.00002 -0.00015 0.00001 101 4XZ -0.00493 0.00027 0.00010 -0.00019 0.00001 102 4YZ 0.00128 -0.00005 0.00011 0.00019 -0.00008 103 13 H 1S 0.01865 -0.00090 0.00034 -0.00156 0.00015 104 2S 0.03875 -0.00253 0.00078 -0.00124 0.00045 105 14 H 1S -0.03018 0.00081 -0.00014 -0.00072 0.00062 106 2S -0.02565 0.00164 -0.00013 -0.00169 0.00142 107 15 C 1S -0.00354 -0.00071 0.00004 -0.00029 -0.00017 108 2S 0.00661 0.00088 -0.00016 0.00024 0.00053 109 2PX 0.02093 0.00527 -0.00264 -0.00290 0.00298 110 2PY -0.01555 -0.00107 0.00085 0.00015 -0.00045 111 2PZ 0.00058 0.00439 -0.00130 -0.00243 0.00269 112 3S 0.02485 0.00169 -0.00170 0.00040 0.00083 113 3PX 0.00565 0.00393 -0.00184 -0.00224 0.00267 114 3PY -0.01188 -0.00085 -0.00011 0.00089 -0.00134 115 3PZ 0.00641 0.00308 -0.00117 -0.00129 0.00150 116 4XX -0.00384 0.00026 -0.00010 -0.00022 0.00008 117 4YY 0.00119 -0.00010 0.00008 0.00001 -0.00001 118 4ZZ 0.00131 -0.00016 0.00007 0.00017 -0.00011 119 4XY 0.00242 -0.00005 -0.00004 0.00002 -0.00003 120 4XZ -0.00097 0.00017 -0.00010 -0.00012 0.00007 121 4YZ 0.00296 -0.00001 -0.00007 0.00000 -0.00001 122 16 H 1S 0.01685 -0.00102 0.00002 0.00110 -0.00076 123 2S 0.00914 -0.00139 0.00026 0.00140 -0.00166 124 17 C 1S -0.00514 -0.00017 -0.00007 -0.00009 -0.00015 125 2S 0.01323 0.00011 0.00011 0.00011 0.00041 126 2PX 0.03839 0.00104 -0.00086 -0.00078 0.00033 127 2PY 0.01322 0.00105 -0.00089 -0.00044 0.00083 128 2PZ 0.03306 0.00012 -0.00024 -0.00055 -0.00061 129 3S 0.02608 0.00024 0.00067 -0.00088 0.00199 130 3PX 0.03141 -0.00002 -0.00029 -0.00003 -0.00069 131 3PY 0.01789 0.00019 -0.00078 0.00009 0.00034 132 3PZ 0.02773 -0.00002 -0.00031 -0.00039 0.00058 133 4XX 0.00045 -0.00005 0.00003 -0.00002 -0.00023 134 4YY -0.00027 0.00003 0.00000 -0.00001 0.00009 135 4ZZ -0.00077 -0.00002 -0.00001 0.00004 0.00008 136 4XY -0.00075 -0.00027 0.00012 0.00015 -0.00017 137 4XZ -0.00001 -0.00005 0.00001 0.00003 -0.00010 138 4YZ -0.00098 -0.00026 0.00010 0.00014 -0.00022 139 18 H 1S -0.00180 0.00094 -0.00043 -0.00017 0.00129 140 2S -0.01228 0.00117 -0.00052 -0.00024 0.00126 141 19 O 1S 0.00192 0.00007 -0.00006 -0.00013 -0.00001 142 2S -0.00331 -0.00017 0.00022 0.00056 -0.00003 143 2PX 0.00858 -0.00235 0.00167 0.00253 -0.00170 144 2PY -0.01123 0.00047 0.00014 0.00020 0.00006 145 2PZ 0.01848 -0.00184 0.00100 0.00209 -0.00140 146 3S -0.01831 -0.00011 0.00019 0.00009 0.00011 147 3PX 0.00384 -0.00200 0.00129 0.00180 -0.00142 148 3PY -0.00921 0.00036 0.00012 0.00005 0.00014 149 3PZ 0.01385 -0.00202 0.00108 0.00199 -0.00139 150 4XX 0.00155 0.00013 -0.00005 -0.00002 0.00009 151 4YY 0.00006 0.00000 0.00002 0.00003 0.00000 152 4ZZ 0.00067 -0.00012 0.00001 0.00007 -0.00009 153 4XY 0.00002 -0.00009 0.00007 0.00009 -0.00006 154 4XZ 0.00034 0.00002 -0.00001 -0.00003 0.00001 155 4YZ 0.00150 -0.00002 0.00000 0.00006 -0.00002 156 20 O 1S 0.00044 0.00000 -0.00004 0.00000 0.00015 157 2S 0.00085 0.00009 0.00004 -0.00011 -0.00016 158 2PX -0.02316 -0.00031 0.00041 0.00058 0.00003 159 2PY -0.01232 0.00001 0.00024 0.00028 -0.00001 160 2PZ -0.02613 -0.00068 0.00034 0.00066 0.00025 161 3S -0.00832 -0.00044 0.00028 0.00054 -0.00179 162 3PX -0.02229 -0.00021 0.00031 0.00046 -0.00025 163 3PY -0.00873 0.00012 0.00018 0.00004 0.00020 164 3PZ -0.02174 -0.00053 0.00031 0.00051 0.00043 165 4XX 0.00160 0.00002 -0.00002 -0.00001 0.00007 166 4YY 0.00089 0.00002 -0.00002 -0.00004 0.00007 167 4ZZ -0.00080 0.00007 -0.00002 -0.00003 0.00009 168 4XY 0.00083 0.00003 -0.00003 -0.00003 0.00002 169 4XZ 0.00001 -0.00001 0.00000 0.00000 0.00001 170 4YZ 0.00032 -0.00003 0.00002 0.00000 -0.00006 171 21 C 1S -0.00011 -0.00014 -0.00001 -0.00005 -0.00008 172 2S 0.00178 0.00027 -0.00017 0.00000 0.00017 173 2PX 0.00029 0.00038 -0.00031 -0.00020 0.00014 174 2PY 0.00348 -0.00024 -0.00004 -0.00020 0.00006 175 2PZ -0.00841 -0.00017 0.00010 0.00011 -0.00029 176 3S 0.00352 0.00052 -0.00031 -0.00026 0.00027 177 3PX 0.00239 0.00000 0.00001 -0.00012 0.00013 178 3PY -0.00241 0.00004 0.00003 -0.00003 0.00009 179 3PZ -0.00790 -0.00057 0.00029 0.00067 -0.00047 180 4XX -0.00016 -0.00011 0.00009 0.00013 -0.00005 181 4YY 0.00015 0.00000 -0.00002 0.00000 0.00001 182 4ZZ -0.00013 0.00010 -0.00006 -0.00011 0.00004 183 4XY -0.00083 0.00006 -0.00004 -0.00008 0.00006 184 4XZ 0.00039 0.00001 -0.00002 -0.00001 0.00002 185 4YZ -0.00205 0.00009 -0.00003 -0.00004 0.00007 186 22 H 1S -0.00085 -0.00050 0.00037 0.00047 -0.00021 187 2S -0.00355 -0.00101 0.00070 0.00082 -0.00047 188 23 H 1S -0.00142 0.00039 -0.00023 -0.00041 0.00014 189 2S 0.00371 0.00096 -0.00051 -0.00114 0.00053 31 32 33 34 35 31 4XZ 0.00067 32 4YZ -0.00028 0.00117 33 4 H 1S -0.00829 0.01086 0.21693 34 2S -0.00609 0.01061 0.17899 0.17165 35 5 C 1S -0.00058 0.00017 0.01228 0.01464 2.05271 36 2S 0.00150 0.00012 -0.02562 -0.02568 -0.06212 37 2PX 0.00063 -0.00004 -0.01877 -0.03390 -0.00133 38 2PY -0.00312 0.00019 0.04292 0.08630 -0.00054 39 2PZ -0.00044 0.01359 0.01323 0.03947 -0.00083 40 3S 0.00359 -0.00426 -0.06037 -0.06760 -0.16068 41 3PX 0.00029 0.00436 0.00248 0.00573 -0.00664 42 3PY -0.00186 0.00192 0.01991 0.03826 -0.00379 43 3PZ -0.00022 0.00546 -0.00275 0.00232 0.00493 44 4XX 0.00000 -0.00020 0.00082 0.00161 -0.01431 45 4YY -0.00023 0.00009 0.00184 -0.00153 -0.01700 46 4ZZ -0.00005 -0.00003 0.00080 0.00193 -0.01611 47 4XY 0.00005 -0.00050 -0.00512 -0.00529 -0.00088 48 4XZ 0.00004 0.00011 0.00001 -0.00049 0.00454 49 4YZ -0.00011 0.00081 0.00716 0.00782 0.00203 50 6 H 1S 0.00003 -0.00716 -0.02222 -0.02568 -0.06016 51 2S -0.00048 -0.00783 -0.02568 -0.03291 -0.01304 52 7 C 1S 0.00009 -0.00116 -0.00753 -0.01234 0.01788 53 2S -0.00017 0.00223 0.01707 0.02409 -0.03383 54 2PX -0.00174 0.01077 0.03033 0.06566 -0.05518 55 2PY -0.00001 -0.00219 -0.01508 -0.03038 0.03898 56 2PZ 0.00049 0.00079 -0.01498 -0.02986 0.04366 57 3S -0.00037 0.00432 0.04152 0.04888 -0.00916 58 3PX -0.00134 0.00703 0.02564 0.04374 -0.01232 59 3PY 0.00020 -0.00146 -0.00657 -0.01570 0.00983 60 3PZ 0.00042 0.00175 -0.01357 -0.01524 0.00437 61 4XX 0.00001 0.00032 0.00034 0.00110 -0.00197 62 4YY 0.00009 -0.00012 -0.00257 -0.00387 0.00154 63 4ZZ 0.00001 -0.00047 0.00002 -0.00050 0.00016 64 4XY -0.00005 -0.00023 0.00086 0.00038 0.00333 65 4XZ 0.00004 -0.00001 -0.00030 -0.00117 0.00415 66 4YZ 0.00004 0.00003 -0.00058 -0.00018 -0.00298 67 8 H 1S 0.00028 -0.00090 -0.00941 -0.01833 0.01210 68 2S 0.00048 -0.00055 -0.02008 -0.02681 0.01361 69 9 C 1S -0.00009 0.00021 -0.00090 -0.00047 -0.00300 70 2S 0.00017 -0.00066 0.00147 -0.00004 0.00649 71 2PX -0.00005 -0.00122 -0.00009 -0.00382 0.00839 72 2PY -0.00073 -0.00083 -0.00103 -0.00098 0.00132 73 2PZ 0.00000 0.00019 -0.00298 0.00410 -0.01207 74 3S 0.00079 -0.00336 0.00353 -0.00170 0.00759 75 3PX 0.00014 -0.00073 -0.00131 -0.00384 0.00454 76 3PY -0.00102 -0.00067 0.00022 0.00066 0.00412 77 3PZ 0.00002 0.00060 -0.00069 0.00422 -0.00802 78 4XX -0.00003 0.00020 0.00044 0.00114 -0.00114 79 4YY -0.00001 0.00000 -0.00008 -0.00033 0.00068 80 4ZZ 0.00002 -0.00013 0.00018 -0.00007 -0.00030 81 4XY 0.00002 0.00000 -0.00020 -0.00068 0.00024 82 4XZ 0.00004 -0.00038 -0.00062 -0.00148 0.00130 83 4YZ -0.00018 0.00006 0.00110 0.00253 -0.00054 84 10 H 1S -0.00023 -0.00150 -0.00063 -0.00023 0.00158 85 2S -0.00036 -0.00143 -0.00022 -0.00045 0.00142 86 11 H 1S -0.00035 0.00131 0.00342 0.01033 -0.00760 87 2S -0.00060 0.00304 0.00712 0.01815 -0.01117 88 12 C 1S 0.00073 -0.00027 -0.00710 -0.00909 -0.00266 89 2S -0.00157 0.00069 0.01561 0.02150 0.00479 90 2PX -0.00130 0.00014 0.01139 0.02685 0.00207 91 2PY 0.00115 0.00024 -0.01103 -0.01586 0.00390 92 2PZ 0.00608 -0.00073 -0.03376 -0.06651 -0.00786 93 3S -0.00279 0.00356 0.04178 0.05148 0.01324 94 3PX -0.00060 0.00016 0.00465 0.01223 0.00106 95 3PY 0.00025 -0.00023 -0.01301 -0.01565 0.00348 96 3PZ 0.00305 -0.00127 -0.02992 -0.04623 -0.00485 97 4XX 0.00013 -0.00012 -0.00119 -0.00276 -0.00029 98 4YY 0.00017 -0.00008 0.00007 -0.00017 -0.00010 99 4ZZ -0.00024 0.00004 -0.00017 0.00100 0.00024 100 4XY 0.00004 0.00002 -0.00039 -0.00092 0.00007 101 4XZ 0.00023 0.00032 0.00149 0.00196 -0.00019 102 4YZ -0.00012 -0.00005 0.00084 0.00199 -0.00020 103 13 H 1S 0.00073 -0.00083 -0.00882 -0.02288 -0.00059 104 2S 0.00081 -0.00266 -0.02135 -0.03822 -0.00092 105 14 H 1S 0.00133 0.00077 -0.00035 -0.00361 -0.00137 106 2S 0.00150 0.00146 -0.00122 -0.00329 -0.00228 107 15 C 1S -0.00039 -0.00066 -0.00015 -0.00151 -0.00069 108 2S 0.00088 0.00094 -0.00040 0.00011 0.00058 109 2PX 0.00047 0.00435 0.00506 0.01519 0.00296 110 2PY -0.00018 -0.00115 -0.00070 -0.00607 0.00009 111 2PZ -0.00039 0.00363 0.00683 0.00960 0.00128 112 3S 0.00036 0.00242 0.00375 0.00974 0.00390 113 3PX 0.00043 0.00314 0.00142 0.00674 0.00128 114 3PY -0.00057 -0.00124 0.00190 -0.00052 0.00151 115 3PZ -0.00028 0.00359 0.01246 0.01875 0.00188 116 4XX -0.00007 0.00014 0.00035 0.00029 -0.00022 117 4YY 0.00004 -0.00004 -0.00008 -0.00018 -0.00006 118 4ZZ -0.00001 -0.00009 0.00003 0.00021 -0.00029 119 4XY 0.00000 -0.00001 0.00004 -0.00046 0.00007 120 4XZ -0.00003 0.00009 -0.00002 0.00056 0.00015 121 4YZ 0.00008 0.00002 -0.00023 -0.00024 0.00021 122 16 H 1S 0.00068 -0.00058 -0.00193 -0.00036 0.00040 123 2S 0.00025 -0.00089 0.00431 0.00493 0.00059 124 17 C 1S -0.00014 -0.00012 -0.00005 0.00057 -0.00178 125 2S 0.00022 0.00031 -0.00019 -0.00102 0.00265 126 2PX 0.00094 0.00042 -0.00043 -0.00603 0.00504 127 2PY -0.00027 0.00109 0.00075 0.00443 0.00169 128 2PZ 0.00048 -0.00030 -0.00028 -0.00381 0.00224 129 3S 0.00100 0.00083 -0.00198 -0.00657 0.00363 130 3PX 0.00051 -0.00006 0.00182 -0.00102 0.00660 131 3PY -0.00015 0.00064 0.00061 0.00091 0.00256 132 3PZ 0.00056 -0.00063 -0.00423 -0.00982 0.00154 133 4XX -0.00002 -0.00018 -0.00016 -0.00018 -0.00079 134 4YY 0.00003 0.00004 -0.00019 -0.00042 -0.00013 135 4ZZ -0.00004 0.00003 -0.00006 0.00012 -0.00029 136 4XY 0.00000 -0.00028 -0.00041 -0.00103 0.00016 137 4XZ 0.00003 -0.00011 -0.00004 -0.00048 0.00048 138 4YZ 0.00001 -0.00028 -0.00040 -0.00077 -0.00029 139 18 H 1S -0.00016 0.00122 0.00096 0.00362 0.00082 140 2S -0.00024 0.00070 -0.00009 0.00234 0.00004 141 19 O 1S 0.00007 0.00018 0.00019 0.00148 0.00003 142 2S -0.00008 -0.00030 0.00028 -0.00269 0.00010 143 2PX -0.00035 -0.00254 -0.00315 -0.00743 -0.00146 144 2PY 0.00047 0.00052 -0.00016 -0.00121 -0.00082 145 2PZ -0.00009 -0.00236 -0.00406 -0.00155 -0.00083 146 3S -0.00016 -0.00123 -0.00398 -0.00954 -0.00063 147 3PX -0.00017 -0.00240 -0.00455 -0.00838 -0.00134 148 3PY 0.00034 0.00032 -0.00078 -0.00169 -0.00076 149 3PZ -0.00012 -0.00209 -0.00269 -0.00187 -0.00103 150 4XX 0.00000 0.00014 0.00029 0.00063 0.00009 151 4YY 0.00002 0.00005 0.00012 0.00018 0.00004 152 4ZZ -0.00001 -0.00008 0.00003 -0.00002 0.00015 153 4XY 0.00000 -0.00010 -0.00020 -0.00051 -0.00003 154 4XZ -0.00002 0.00002 0.00012 0.00021 -0.00002 155 4YZ -0.00001 -0.00002 0.00002 0.00026 0.00002 156 20 O 1S 0.00004 0.00002 -0.00010 -0.00077 0.00025 157 2S -0.00009 0.00007 0.00005 0.00191 -0.00130 158 2PX -0.00051 0.00033 0.00034 0.00460 -0.00318 159 2PY 0.00026 -0.00006 -0.00007 -0.00423 -0.00082 160 2PZ -0.00007 -0.00020 -0.00141 -0.00301 -0.00062 161 3S -0.00022 -0.00067 0.00234 0.00492 0.00114 162 3PX -0.00043 0.00025 0.00114 0.00487 -0.00189 163 3PY 0.00024 0.00007 -0.00026 -0.00316 -0.00093 164 3PZ -0.00015 -0.00008 -0.00127 -0.00200 -0.00173 165 4XX 0.00002 0.00004 -0.00010 -0.00028 -0.00008 166 4YY 0.00000 0.00003 -0.00015 0.00000 -0.00033 167 4ZZ -0.00001 0.00008 0.00007 0.00022 -0.00035 168 4XY 0.00002 -0.00001 -0.00012 -0.00030 0.00003 169 4XZ 0.00001 -0.00001 -0.00005 -0.00015 -0.00017 170 4YZ 0.00000 -0.00005 -0.00001 -0.00001 0.00007 171 21 C 1S -0.00009 -0.00010 0.00003 -0.00020 -0.00034 172 2S 0.00011 0.00026 0.00031 0.00145 0.00067 173 2PX 0.00022 0.00037 0.00016 0.00178 0.00090 174 2PY -0.00024 -0.00019 -0.00010 -0.00108 0.00109 175 2PZ -0.00014 -0.00024 0.00118 0.00027 0.00032 176 3S 0.00021 0.00048 0.00014 0.00175 0.00165 177 3PX 0.00011 0.00014 -0.00114 -0.00061 -0.00030 178 3PY -0.00008 0.00011 0.00068 0.00008 0.00028 179 3PZ -0.00021 -0.00057 0.00049 0.00033 -0.00027 180 4XX -0.00004 -0.00009 -0.00009 -0.00015 -0.00023 181 4YY 0.00002 -0.00002 -0.00008 -0.00005 0.00009 182 4ZZ 0.00001 0.00010 0.00028 0.00025 0.00007 183 4XY -0.00002 0.00010 0.00019 0.00050 -0.00002 184 4XZ 0.00000 0.00001 0.00003 0.00001 0.00002 185 4YZ 0.00001 0.00012 0.00017 0.00019 -0.00011 186 22 H 1S -0.00017 -0.00044 -0.00069 -0.00123 -0.00095 187 2S -0.00026 -0.00086 -0.00181 -0.00268 -0.00200 188 23 H 1S 0.00006 0.00038 0.00108 0.00094 0.00063 189 2S 0.00017 0.00089 0.00129 0.00053 0.00066 36 37 38 39 40 36 2S 0.32494 37 2PX -0.00225 0.36898 38 2PY -0.00162 0.00012 0.41333 39 2PZ 0.00778 -0.03329 0.00267 0.39025 40 3S 0.24767 0.01951 -0.01119 -0.02948 0.25018 41 3PX 0.02275 0.18143 0.01271 0.07530 0.00525 42 3PY 0.01624 0.01319 0.13843 0.02582 -0.00771 43 3PZ -0.01455 0.05971 0.00575 0.16798 -0.01272 44 4XX -0.00947 -0.00802 0.00593 -0.00342 -0.00562 45 4YY -0.00307 0.00430 -0.01307 -0.00043 -0.00310 46 4ZZ -0.00535 0.00687 0.01026 -0.00255 -0.00247 47 4XY 0.00123 0.00497 -0.00022 -0.01075 0.00262 48 4XZ -0.00944 -0.00067 -0.00920 0.00216 -0.00814 49 4YZ -0.00343 -0.00949 -0.00200 0.01031 -0.00707 50 6 H 1S 0.11225 0.13257 0.13097 -0.18738 0.11510 51 2S 0.02497 0.12143 0.11804 -0.18078 0.05424 52 7 C 1S -0.03602 0.05995 -0.03613 -0.04300 0.01168 53 2S 0.06174 -0.12174 0.07520 0.08348 0.01679 54 2PX 0.11755 0.00682 0.13511 0.24272 0.04595 55 2PY -0.07530 0.13770 -0.05046 -0.06390 -0.10473 56 2PZ -0.08984 0.21186 -0.08001 -0.01523 -0.05023 57 3S 0.03345 -0.13121 0.04985 0.09075 -0.02640 58 3PX 0.03511 0.04966 0.06227 0.12918 -0.00780 59 3PY -0.02568 0.05349 -0.00530 -0.02374 -0.01874 60 3PZ -0.01210 0.09572 -0.03263 0.02869 -0.00660 61 4XX 0.00318 0.01089 0.00515 0.00702 0.00432 62 4YY -0.00340 0.00156 -0.01233 -0.00146 -0.00598 63 4ZZ -0.00117 -0.00181 0.00100 -0.01328 0.00227 64 4XY -0.00664 0.00346 0.00262 -0.00805 -0.00401 65 4XZ -0.00767 0.00322 -0.00661 -0.00047 -0.00599 66 4YZ 0.00598 -0.00805 -0.00169 0.00180 0.00435 67 8 H 1S -0.02453 0.02457 -0.03572 -0.01202 -0.06201 68 2S -0.02471 0.04786 -0.07137 -0.01048 -0.05923 69 9 C 1S 0.00562 -0.00513 0.00154 0.01145 0.00523 70 2S -0.01506 0.01443 -0.00588 -0.02806 -0.00898 71 2PX -0.02186 -0.00069 -0.01085 -0.03289 -0.02773 72 2PY -0.00322 0.00232 0.00421 -0.00692 0.00914 73 2PZ 0.03131 -0.04903 0.00698 0.02306 0.00222 74 3S -0.01647 -0.00177 0.01091 -0.07812 0.01676 75 3PX -0.00902 -0.00130 -0.00744 -0.01494 -0.00631 76 3PY -0.00875 0.00737 0.00454 -0.02099 -0.01093 77 3PZ 0.01862 -0.04077 -0.00840 0.02255 -0.00613 78 4XX 0.00235 0.00085 0.00218 0.00525 0.00156 79 4YY -0.00152 0.00310 -0.00171 -0.00200 -0.00276 80 4ZZ 0.00017 -0.00630 0.00096 -0.00132 0.00089 81 4XY -0.00072 0.00134 0.00013 0.00013 -0.00124 82 4XZ -0.00293 -0.00156 -0.00303 -0.00929 -0.00204 83 4YZ 0.00140 -0.00383 0.00172 0.00056 -0.00074 84 10 H 1S -0.00349 -0.02930 -0.00310 -0.02867 -0.01232 85 2S -0.00406 -0.02922 0.00012 -0.02535 -0.01124 86 11 H 1S 0.01927 -0.00238 0.01530 0.03244 0.01772 87 2S 0.02905 0.00199 0.02101 0.07099 0.02307 88 12 C 1S 0.00503 -0.00128 -0.00376 0.00576 0.01091 89 2S -0.00883 -0.00214 0.00682 -0.01506 -0.02104 90 2PX -0.00443 -0.00675 0.00764 -0.00880 -0.01315 91 2PY -0.00856 0.02847 -0.01156 -0.00382 -0.01911 92 2PZ 0.01255 0.01136 -0.02369 0.02035 0.07869 93 3S -0.02299 0.02356 0.03026 -0.00941 -0.06110 94 3PX -0.00172 -0.00053 0.00185 -0.00169 -0.00822 95 3PY -0.00738 0.02759 -0.00886 0.00192 -0.01693 96 3PZ 0.00736 0.00621 -0.02434 0.00455 0.04096 97 4XX 0.00034 0.00036 0.00022 0.00077 0.00343 98 4YY 0.00024 -0.00060 -0.00192 -0.00177 0.00111 99 4ZZ -0.00041 -0.00010 0.00197 0.00059 -0.00284 100 4XY -0.00036 0.00023 -0.00099 -0.00059 -0.00078 101 4XZ 0.00044 0.00102 -0.00088 0.00064 0.00001 102 4YZ 0.00082 -0.00129 0.00014 0.00008 -0.00127 103 13 H 1S 0.00017 -0.00194 -0.00229 -0.00063 0.01950 104 2S -0.00025 -0.00538 -0.00699 -0.00768 0.02805 105 14 H 1S 0.00184 0.00286 0.00017 0.00658 0.02054 106 2S 0.00336 0.01503 0.00379 0.01957 0.01844 107 15 C 1S 0.00137 -0.01088 -0.00261 -0.00737 0.00208 108 2S -0.00173 0.02271 0.00401 0.01700 0.00403 109 2PX -0.00818 0.07789 0.01578 0.05638 -0.03499 110 2PY 0.00136 -0.01169 -0.00431 -0.01182 0.00091 111 2PZ -0.00389 0.05914 0.01023 0.04336 -0.02194 112 3S -0.00675 0.05245 0.01285 0.03688 -0.01677 113 3PX -0.00636 0.05993 0.01206 0.04013 -0.01880 114 3PY -0.00183 -0.02895 -0.00203 -0.02429 -0.00027 115 3PZ -0.00092 0.04680 0.01426 0.04468 -0.02379 116 4XX 0.00029 -0.00077 -0.00019 0.00000 -0.00100 117 4YY 0.00020 0.00040 -0.00036 0.00041 -0.00034 118 4ZZ 0.00039 -0.00168 -0.00028 -0.00081 0.00146 119 4XY -0.00073 0.00112 0.00003 -0.00003 0.00061 120 4XZ -0.00017 0.00113 0.00034 0.00070 -0.00230 121 4YZ -0.00062 0.00166 0.00047 0.00061 -0.00015 122 16 H 1S -0.00107 -0.00590 0.00079 -0.00432 0.00816 123 2S -0.00060 -0.02537 0.00060 -0.01694 0.00621 124 17 C 1S 0.00269 -0.00921 -0.00007 -0.00380 0.00663 125 2S -0.00452 0.02103 -0.00007 0.01060 -0.01532 126 2PX -0.01913 0.03140 0.00231 0.00563 0.01122 127 2PY -0.00504 0.01828 0.00154 0.01160 -0.00908 128 2PZ -0.00608 0.00587 0.00214 -0.00872 -0.00476 129 3S -0.01132 0.05411 -0.00003 0.02774 -0.00276 130 3PX -0.01009 0.00589 0.00333 -0.00105 0.00181 131 3PY -0.00678 0.01972 -0.00118 0.01112 -0.00727 132 3PZ -0.01149 0.02481 0.00226 -0.00961 0.00403 133 4XX 0.00083 -0.00599 -0.00039 -0.00412 -0.00147 134 4YY -0.00023 0.00213 -0.00021 0.00110 0.00113 135 4ZZ 0.00012 0.00134 -0.00021 0.00081 0.00125 136 4XY -0.00026 -0.00434 -0.00101 -0.00387 0.00143 137 4XZ -0.00093 -0.00196 -0.00047 -0.00188 0.00108 138 4YZ 0.00044 -0.00518 -0.00091 -0.00431 0.00187 139 18 H 1S -0.00296 0.02685 0.00213 0.02062 -0.00646 140 2S -0.00131 0.01973 0.00414 0.00500 -0.00194 141 19 O 1S 0.00038 0.00238 0.00041 0.00198 -0.00543 142 2S -0.00105 -0.00425 -0.00032 -0.00298 0.01364 143 2PX 0.00391 -0.04307 -0.00711 -0.03019 0.02280 144 2PY -0.00068 0.00106 -0.00081 0.00202 0.01674 145 2PZ 0.00295 -0.03266 -0.00413 -0.02211 0.01057 146 3S -0.00216 -0.01708 -0.00386 -0.01805 0.01899 147 3PX 0.00260 -0.03882 -0.00824 -0.03036 0.01860 148 3PY -0.00014 0.00035 -0.00030 0.00159 0.01305 149 3PZ 0.00345 -0.03018 -0.00422 -0.01989 0.01222 150 4XX -0.00010 0.00275 0.00069 0.00236 -0.00049 151 4YY 0.00005 0.00045 0.00012 0.00073 0.00033 152 4ZZ -0.00011 -0.00128 0.00009 -0.00097 -0.00011 153 4XY 0.00009 -0.00141 -0.00026 -0.00123 0.00099 154 4XZ 0.00004 0.00041 0.00002 0.00035 -0.00059 155 4YZ -0.00009 -0.00003 0.00013 -0.00002 -0.00005 156 20 O 1S -0.00140 0.00322 -0.00047 0.00086 0.00078 157 2S 0.00318 -0.00264 0.00154 0.00028 -0.00744 158 2PX 0.01247 -0.00855 0.00185 0.00691 0.01279 159 2PY -0.00223 0.00005 0.00070 0.00066 0.03841 160 2PZ 0.00104 -0.00174 -0.00194 0.00447 0.04591 161 3S 0.00790 -0.03879 0.00181 -0.01431 0.00172 162 3PX 0.01051 -0.01373 0.00021 0.00371 0.01077 163 3PY -0.00179 0.00431 0.00013 0.00182 0.02534 164 3PZ 0.00208 0.00205 -0.00176 0.00527 0.03153 165 4XX -0.00055 0.00231 0.00019 0.00100 0.00069 166 4YY -0.00005 0.00142 0.00003 0.00070 -0.00216 167 4ZZ 0.00000 0.00131 0.00040 0.00115 -0.00044 168 4XY -0.00064 0.00060 -0.00017 -0.00032 0.00003 169 4XZ -0.00006 0.00018 -0.00001 -0.00009 0.00101 170 4YZ 0.00021 -0.00132 -0.00016 -0.00089 -0.00164 171 21 C 1S 0.00050 -0.00187 0.00057 -0.00049 0.00279 172 2S -0.00179 0.00526 -0.00021 0.00169 -0.00557 173 2PX -0.00226 0.00498 -0.00063 0.00144 -0.01186 174 2PY -0.00157 0.00105 -0.00156 -0.00200 -0.00972 175 2PZ 0.00003 -0.00697 -0.00135 -0.00801 -0.00520 176 3S -0.00332 0.01105 -0.00435 0.00236 -0.00762 177 3PX 0.00055 0.00235 -0.00139 0.00356 -0.00087 178 3PY -0.00057 0.00143 -0.00024 0.00168 0.00170 179 3PZ 0.00123 -0.01152 -0.00190 -0.00959 0.00310 180 4XX 0.00067 -0.00161 0.00012 -0.00048 0.00207 181 4YY -0.00031 0.00023 -0.00001 0.00004 0.00078 182 4ZZ -0.00029 0.00127 0.00012 0.00031 -0.00282 183 4XY 0.00031 0.00120 0.00028 0.00135 -0.00118 184 4XZ -0.00015 0.00061 0.00025 0.00047 0.00047 185 4YZ 0.00011 0.00132 0.00029 0.00149 0.00190 186 22 H 1S 0.00273 -0.00764 -0.00023 -0.00254 0.01094 187 2S 0.00547 -0.01687 -0.00112 -0.00557 0.01805 188 23 H 1S -0.00138 0.00489 0.00007 0.00086 -0.01211 189 2S -0.00225 0.01326 0.00430 0.00875 -0.01746 41 42 43 44 45 41 3PX 0.12006 42 3PY 0.02130 0.06239 43 3PZ 0.06582 0.01398 0.09333 44 4XX -0.00525 -0.00006 -0.00247 0.00092 45 4YY 0.00157 -0.00297 0.00079 -0.00023 0.00114 46 4ZZ 0.00263 0.00301 0.00047 0.00022 -0.00019 47 4XY -0.00017 0.00038 -0.00331 -0.00019 0.00000 48 4XZ -0.00040 -0.00261 0.00110 0.00007 0.00048 49 4YZ -0.00159 0.00071 0.00212 -0.00003 0.00014 50 6 H 1S 0.03238 0.03918 -0.05969 -0.00193 -0.00405 51 2S 0.01784 0.02563 -0.05144 0.00068 -0.00360 52 7 C 1S 0.00741 -0.00604 0.00477 -0.00161 0.00119 53 2S -0.03366 0.00946 0.00609 0.00279 -0.00345 54 2PX 0.07513 0.09231 0.09996 -0.00835 -0.00222 55 2PY 0.06141 0.00978 -0.00559 -0.00424 0.01330 56 2PZ 0.09003 -0.03203 0.03874 -0.00522 0.00248 57 3S -0.02879 0.00106 0.00191 0.00398 -0.00289 58 3PX 0.06570 0.05176 0.06101 -0.00568 0.00024 59 3PY 0.01754 0.00219 0.00261 -0.00159 0.00408 60 3PZ 0.05085 0.00022 0.03335 -0.00484 0.00199 61 4XX 0.00752 0.00330 0.00593 -0.00025 -0.00020 62 4YY 0.00073 -0.00312 -0.00082 -0.00024 0.00096 63 4ZZ -0.00472 -0.00133 -0.00632 0.00024 -0.00037 64 4XY -0.00041 -0.00005 -0.00232 0.00028 -0.00009 65 4XZ 0.00116 -0.00283 0.00064 0.00010 0.00031 66 4YZ -0.00322 0.00033 -0.00095 -0.00001 -0.00002 67 8 H 1S 0.01714 -0.00228 -0.00668 -0.00145 0.00805 68 2S 0.02899 -0.00590 -0.00120 -0.00308 0.00888 69 9 C 1S -0.00086 0.00402 0.00806 -0.00046 0.00081 70 2S -0.00034 -0.00848 -0.01523 0.00036 -0.00158 71 2PX -0.00832 -0.02932 -0.02852 0.00027 -0.00138 72 2PY -0.00778 0.00643 -0.00237 0.00009 -0.00124 73 2PZ -0.01028 0.03196 -0.00725 -0.00132 0.00396 74 3S -0.02536 -0.02145 -0.03854 0.00276 -0.00434 75 3PX -0.00639 -0.01539 -0.01190 0.00006 -0.00070 76 3PY -0.00283 0.00707 -0.00932 -0.00008 0.00008 77 3PZ -0.00785 0.01124 -0.00485 -0.00041 0.00203 78 4XX 0.00185 0.00296 0.00260 -0.00019 0.00007 79 4YY 0.00146 0.00003 -0.00033 -0.00015 0.00035 80 4ZZ -0.00367 -0.00188 -0.00192 0.00036 -0.00033 81 4XY 0.00086 -0.00104 -0.00037 -0.00004 0.00002 82 4XZ -0.00284 -0.00236 -0.00494 0.00027 0.00010 83 4YZ -0.00128 0.00183 -0.00127 0.00005 -0.00011 84 10 H 1S -0.01933 -0.00435 -0.03019 0.00081 -0.00014 85 2S -0.01783 -0.00455 -0.02563 0.00164 -0.00012 86 11 H 1S 0.00664 0.02871 0.01869 -0.00089 0.00033 87 2S 0.01663 0.03778 0.03883 -0.00252 0.00077 88 12 C 1S -0.00010 -0.00350 0.00342 0.00000 -0.00020 89 2S -0.00217 0.00598 -0.00989 0.00002 0.00036 90 2PX -0.00581 0.01728 -0.00098 -0.00032 -0.00066 91 2PY 0.01993 -0.00704 0.00329 -0.00082 0.00190 92 2PZ -0.00219 -0.02453 0.03395 -0.00066 0.00059 93 3S 0.01894 0.02949 -0.00431 -0.00151 0.00205 94 3PX -0.00077 0.00913 0.00001 -0.00052 0.00004 95 3PY 0.01747 -0.00052 0.00539 -0.00108 0.00223 96 3PZ -0.00206 -0.01700 0.01557 -0.00033 0.00057 97 4XX -0.00067 -0.00109 0.00114 0.00006 0.00000 98 4YY -0.00062 -0.00183 -0.00139 0.00004 -0.00008 99 4ZZ 0.00075 0.00254 0.00033 -0.00006 0.00004 100 4XY 0.00013 -0.00123 -0.00081 -0.00002 0.00002 101 4XZ 0.00164 0.00060 0.00083 -0.00009 -0.00005 102 4YZ 0.00001 0.00085 -0.00131 -0.00003 0.00008 103 13 H 1S -0.00706 -0.01410 0.00036 0.00055 0.00013 104 2S -0.01622 -0.02158 -0.00403 0.00080 0.00006 105 14 H 1S -0.00048 0.00487 0.01533 -0.00054 -0.00031 106 2S 0.01194 0.00768 0.02316 -0.00055 -0.00064 107 15 C 1S -0.00807 -0.00240 -0.00512 -0.00017 -0.00007 108 2S 0.01432 0.00316 0.01319 0.00011 0.00011 109 2PX 0.07611 0.02121 0.03850 0.00104 -0.00086 110 2PY -0.01110 0.00161 -0.01334 -0.00106 0.00089 111 2PZ 0.05781 0.01051 0.03313 0.00011 -0.00024 112 3S 0.04054 0.01633 0.02597 0.00024 0.00068 113 3PX 0.05298 0.01498 0.03152 -0.00003 -0.00029 114 3PY -0.02564 0.00051 -0.01799 -0.00019 0.00078 115 3PZ 0.04993 0.01451 0.02778 -0.00002 -0.00031 116 4XX 0.00035 0.00038 0.00045 -0.00005 0.00003 117 4YY 0.00066 -0.00015 -0.00027 0.00002 0.00000 118 4ZZ -0.00195 -0.00056 -0.00077 -0.00002 -0.00001 119 4XY 0.00073 -0.00100 0.00075 0.00027 -0.00012 120 4XZ 0.00173 0.00120 -0.00001 -0.00005 0.00001 121 4YZ 0.00124 -0.00023 0.00098 0.00026 -0.00010 122 16 H 1S -0.00940 -0.00346 -0.00178 0.00094 -0.00043 123 2S -0.02185 -0.00530 -0.01227 0.00117 -0.00052 124 17 C 1S -0.00953 0.00149 -0.00354 -0.00071 0.00004 125 2S 0.02246 -0.00029 0.00662 0.00088 -0.00016 126 2PX 0.02176 -0.01368 0.02089 0.00528 -0.00263 127 2PY 0.01858 -0.00232 0.01561 0.00106 -0.00085 128 2PZ 0.01013 -0.00716 0.00055 0.00439 -0.00130 129 3S 0.04302 -0.01049 0.02496 0.00170 -0.00169 130 3PX 0.00797 -0.00917 0.00564 0.00394 -0.00184 131 3PY 0.01496 -0.00065 0.01186 0.00084 0.00011 132 3PZ 0.01284 -0.00991 0.00644 0.00307 -0.00116 133 4XX -0.00315 -0.00123 -0.00386 0.00026 -0.00010 134 4YY 0.00075 0.00027 0.00119 -0.00010 0.00008 135 4ZZ 0.00016 0.00052 0.00130 -0.00016 0.00007 136 4XY -0.00423 -0.00158 -0.00243 0.00005 0.00004 137 4XZ -0.00207 -0.00124 -0.00099 0.00017 -0.00010 138 4YZ -0.00492 -0.00050 -0.00297 0.00001 0.00007 139 18 H 1S 0.02164 0.00338 0.01694 -0.00102 0.00002 140 2S 0.01157 0.00512 0.00927 -0.00140 0.00026 141 19 O 1S 0.00314 0.00232 0.00044 0.00000 -0.00004 142 2S -0.00674 -0.00621 0.00084 0.00009 0.00004 143 2PX -0.04395 -0.01554 -0.02320 -0.00031 0.00041 144 2PY -0.00763 -0.00399 0.01236 -0.00001 -0.00024 145 2PZ -0.03171 -0.00337 -0.02613 -0.00068 0.00034 146 3S -0.01955 -0.00642 -0.00831 -0.00044 0.00028 147 3PX -0.03928 -0.01313 -0.02233 -0.00021 0.00032 148 3PY -0.00580 -0.00228 0.00878 -0.00012 -0.00018 149 3PZ -0.02970 -0.00475 -0.02176 -0.00053 0.00030 150 4XX 0.00242 0.00064 0.00161 0.00002 -0.00002 151 4YY 0.00017 -0.00018 0.00088 0.00002 -0.00002 152 4ZZ -0.00105 -0.00029 -0.00081 0.00007 -0.00002 153 4XY -0.00170 -0.00061 -0.00084 -0.00003 0.00003 154 4XZ 0.00058 0.00016 0.00001 -0.00001 0.00000 155 4YZ -0.00005 -0.00005 -0.00032 0.00003 -0.00002 156 20 O 1S 0.00142 -0.00426 0.00192 0.00007 -0.00006 157 2S 0.00209 0.00990 -0.00329 -0.00017 0.00022 158 2PX -0.00825 0.01624 0.00868 -0.00236 0.00167 159 2PY -0.01578 0.00469 0.01120 -0.00046 -0.00015 160 2PZ -0.02065 0.00921 0.01861 -0.00184 0.00099 161 3S -0.02458 0.01278 -0.01834 -0.00011 0.00019 162 3PX -0.01130 0.01243 0.00390 -0.00200 0.00128 163 3PY -0.00766 0.00281 0.00920 -0.00036 -0.00012 164 3PZ -0.01292 0.00861 0.01395 -0.00202 0.00108 165 4XX 0.00148 -0.00013 0.00156 0.00013 -0.00005 166 4YY 0.00174 -0.00044 0.00007 0.00000 0.00002 167 4ZZ 0.00103 0.00032 0.00067 -0.00012 0.00001 168 4XY 0.00020 -0.00066 -0.00002 0.00009 -0.00007 169 4XZ -0.00032 -0.00012 0.00034 0.00002 -0.00001 170 4YZ -0.00030 -0.00037 -0.00151 0.00002 0.00000 171 21 C 1S -0.00244 0.00033 -0.00011 -0.00014 -0.00001 172 2S 0.00497 -0.00172 0.00179 0.00027 -0.00017 173 2PX 0.00679 -0.00379 0.00028 0.00038 -0.00030 174 2PY 0.00405 -0.00215 -0.00346 0.00025 0.00004 175 2PZ -0.00458 -0.00087 -0.00843 -0.00017 0.00010 176 3S 0.00958 -0.00351 0.00354 0.00052 -0.00031 177 3PX 0.00232 -0.00135 0.00239 0.00000 0.00001 178 3PY 0.00069 -0.00043 0.00244 -0.00003 -0.00003 179 3PZ -0.01176 -0.00035 -0.00790 -0.00058 0.00029 180 4XX -0.00195 0.00033 -0.00015 -0.00011 0.00009 181 4YY -0.00019 0.00022 0.00015 0.00000 -0.00002 182 4ZZ 0.00203 -0.00041 -0.00013 0.00010 -0.00006 183 4XY 0.00160 0.00109 0.00084 -0.00006 0.00004 184 4XZ 0.00030 0.00028 0.00039 0.00001 -0.00002 185 4YZ 0.00040 0.00074 0.00206 -0.00009 0.00003 186 22 H 1S -0.00934 0.00199 -0.00084 -0.00050 0.00037 187 2S -0.01869 0.00255 -0.00354 -0.00101 0.00070 188 23 H 1S 0.00798 -0.00185 -0.00144 0.00039 -0.00023 189 2S 0.01867 -0.00053 0.00367 0.00096 -0.00051 46 47 48 49 50 46 4ZZ 0.00089 47 4XY 0.00032 0.00095 48 4XZ -0.00026 -0.00017 0.00067 49 4YZ -0.00011 -0.00042 0.00028 0.00117 50 6 H 1S 0.00549 0.00786 -0.00826 -0.01088 0.21693 51 2S 0.00646 0.00774 -0.00606 -0.01063 0.17898 52 7 C 1S -0.00025 0.00373 0.00330 -0.00331 0.01338 53 2S 0.00008 -0.00670 -0.00638 0.00625 -0.02790 54 2PX 0.00220 -0.00236 -0.00298 0.00856 -0.03272 55 2PY -0.00190 -0.00166 0.00724 0.00164 0.00417 56 2PZ 0.01017 0.00837 -0.00073 -0.00097 0.03215 57 3S -0.00161 -0.00853 -0.00403 0.00761 -0.05771 58 3PX 0.00269 0.00000 -0.00055 0.00548 -0.01771 59 3PY 0.00056 -0.00028 0.00162 0.00013 0.01039 60 3PZ 0.00448 0.00454 -0.00042 0.00162 0.00732 61 4XX 0.00012 0.00005 -0.00004 -0.00034 0.00307 62 4YY -0.00047 -0.00024 0.00056 0.00029 -0.00534 63 4ZZ 0.00030 0.00056 -0.00018 -0.00043 0.00631 64 4XY 0.00028 0.00027 0.00003 -0.00026 0.00350 65 4XZ -0.00010 -0.00010 0.00045 -0.00003 -0.00386 66 4YZ -0.00044 -0.00010 0.00005 0.00013 -0.00212 67 8 H 1S -0.00272 -0.00412 0.00312 0.00350 -0.02289 68 2S -0.00329 -0.00216 0.00474 0.00264 -0.02757 69 9 C 1S -0.00156 -0.00080 0.00073 0.00027 -0.00710 70 2S 0.00302 0.00173 -0.00157 -0.00070 0.01561 71 2PX 0.00377 0.00102 -0.00129 -0.00015 0.01135 72 2PY 0.00210 0.00250 -0.00116 0.00023 0.01110 73 2PZ -0.00733 -0.00402 0.00607 0.00076 -0.03375 74 3S 0.00349 0.00173 -0.00278 -0.00357 0.04175 75 3PX 0.00170 0.00039 -0.00059 -0.00017 0.00460 76 3PY 0.00119 0.00210 -0.00026 -0.00024 0.01307 77 3PZ -0.00434 -0.00271 0.00304 0.00128 -0.02989 78 4XX -0.00013 -0.00006 0.00013 0.00012 -0.00119 79 4YY -0.00004 0.00000 0.00017 0.00008 0.00008 80 4ZZ 0.00002 -0.00010 -0.00024 -0.00004 -0.00017 81 4XY 0.00015 0.00001 -0.00004 0.00002 0.00038 82 4XZ -0.00019 -0.00001 0.00024 -0.00032 0.00149 83 4YZ -0.00019 -0.00008 0.00013 -0.00005 -0.00084 84 10 H 1S -0.00072 -0.00062 0.00133 -0.00076 -0.00034 85 2S -0.00169 -0.00141 0.00151 -0.00146 -0.00119 86 11 H 1S -0.00156 -0.00016 0.00073 0.00083 -0.00882 87 2S -0.00124 -0.00046 0.00081 0.00265 -0.02136 88 12 C 1S -0.00037 0.00004 -0.00009 -0.00021 -0.00090 89 2S 0.00057 -0.00041 0.00017 0.00066 0.00147 90 2PX 0.00085 0.00037 -0.00006 0.00122 -0.00009 91 2PY -0.00047 -0.00035 0.00073 -0.00083 0.00103 92 2PZ -0.00074 0.00159 0.00000 -0.00020 -0.00298 93 3S 0.00194 0.00049 0.00078 0.00335 0.00355 94 3PX 0.00043 0.00020 0.00014 0.00073 -0.00129 95 3PY -0.00055 -0.00016 0.00102 -0.00066 -0.00023 96 3PZ -0.00069 0.00145 0.00003 -0.00060 -0.00071 97 4XX -0.00005 -0.00006 -0.00003 -0.00020 0.00044 98 4YY 0.00000 -0.00012 -0.00001 0.00000 -0.00008 99 4ZZ 0.00005 0.00026 0.00002 0.00013 0.00018 100 4XY 0.00008 0.00008 -0.00002 0.00000 0.00020 101 4XZ 0.00006 0.00014 0.00004 0.00038 -0.00062 102 4YZ -0.00019 -0.00027 0.00018 0.00006 -0.00110 103 13 H 1S -0.00009 0.00000 -0.00035 -0.00131 0.00341 104 2S -0.00013 -0.00028 -0.00060 -0.00304 0.00712 105 14 H 1S 0.00070 0.00159 -0.00023 0.00150 -0.00062 106 2S 0.00071 0.00181 -0.00036 0.00143 -0.00020 107 15 C 1S -0.00009 0.00015 -0.00014 0.00012 -0.00005 108 2S 0.00012 -0.00040 0.00022 -0.00031 -0.00019 109 2PX -0.00078 -0.00032 0.00094 -0.00042 -0.00044 110 2PY 0.00044 0.00083 0.00028 0.00109 -0.00075 111 2PZ -0.00054 0.00062 0.00048 0.00030 -0.00029 112 3S -0.00088 -0.00199 0.00100 -0.00082 -0.00202 113 3PX -0.00002 0.00069 0.00051 0.00007 0.00181 114 3PY -0.00009 0.00034 0.00015 0.00064 -0.00061 115 3PZ -0.00039 -0.00057 0.00056 0.00064 -0.00425 116 4XX -0.00002 0.00023 -0.00002 0.00018 -0.00016 117 4YY -0.00001 -0.00009 0.00003 -0.00004 -0.00020 118 4ZZ 0.00004 -0.00008 -0.00005 -0.00003 -0.00006 119 4XY -0.00015 -0.00017 0.00000 -0.00028 0.00041 120 4XZ 0.00003 0.00010 0.00003 0.00011 -0.00004 121 4YZ -0.00014 -0.00021 -0.00001 -0.00028 0.00040 122 16 H 1S -0.00018 -0.00128 -0.00016 -0.00121 0.00095 123 2S -0.00024 -0.00125 -0.00024 -0.00070 -0.00011 124 17 C 1S -0.00029 0.00017 -0.00039 0.00067 -0.00016 125 2S 0.00024 -0.00054 0.00088 -0.00094 -0.00040 126 2PX -0.00291 -0.00296 0.00048 -0.00435 0.00504 127 2PY -0.00015 -0.00044 0.00018 -0.00114 0.00069 128 2PZ -0.00244 -0.00267 -0.00039 -0.00362 0.00681 129 3S 0.00040 -0.00083 0.00036 -0.00243 0.00377 130 3PX -0.00224 -0.00265 0.00043 -0.00313 0.00140 131 3PY -0.00090 -0.00134 0.00057 -0.00123 -0.00195 132 3PZ -0.00129 -0.00149 -0.00028 -0.00358 0.01246 133 4XX -0.00023 -0.00008 -0.00007 -0.00014 0.00035 134 4YY 0.00001 0.00001 0.00004 0.00004 -0.00008 135 4ZZ 0.00017 0.00011 -0.00001 0.00009 0.00003 136 4XY -0.00002 -0.00003 0.00000 -0.00001 -0.00004 137 4XZ -0.00012 -0.00007 -0.00003 -0.00009 -0.00002 138 4YZ 0.00000 -0.00001 -0.00008 0.00002 0.00023 139 18 H 1S 0.00110 0.00076 0.00068 0.00057 -0.00193 140 2S 0.00141 0.00166 0.00025 0.00089 0.00432 141 19 O 1S 0.00000 -0.00015 0.00004 -0.00002 -0.00010 142 2S -0.00012 0.00016 -0.00009 -0.00007 0.00005 143 2PX 0.00058 -0.00003 -0.00051 -0.00033 0.00034 144 2PY -0.00028 -0.00001 -0.00026 -0.00007 0.00008 145 2PZ 0.00066 -0.00025 -0.00007 0.00020 -0.00140 146 3S 0.00054 0.00178 -0.00022 0.00067 0.00235 147 3PX 0.00046 0.00025 -0.00043 -0.00026 0.00114 148 3PY -0.00004 0.00020 -0.00024 0.00007 0.00027 149 3PZ 0.00051 -0.00043 -0.00015 0.00008 -0.00126 150 4XX -0.00001 -0.00007 0.00002 -0.00004 -0.00010 151 4YY -0.00004 -0.00007 0.00000 -0.00003 -0.00015 152 4ZZ -0.00003 -0.00009 -0.00001 -0.00008 0.00007 153 4XY 0.00003 0.00002 -0.00002 -0.00001 0.00012 154 4XZ 0.00000 -0.00001 0.00001 0.00001 -0.00005 155 4YZ 0.00000 -0.00006 0.00000 -0.00005 0.00001 156 20 O 1S -0.00013 0.00001 0.00007 -0.00018 0.00019 157 2S 0.00056 0.00003 -0.00008 0.00030 0.00028 158 2PX 0.00254 0.00169 -0.00035 0.00253 -0.00314 159 2PY -0.00020 0.00006 -0.00047 0.00051 0.00017 160 2PZ 0.00209 0.00139 -0.00009 0.00235 -0.00405 161 3S 0.00009 -0.00011 -0.00016 0.00123 -0.00398 162 3PX 0.00180 0.00141 -0.00017 0.00239 -0.00455 163 3PY -0.00005 0.00014 -0.00034 0.00031 0.00079 164 3PZ 0.00199 0.00138 -0.00013 0.00209 -0.00269 165 4XX -0.00002 -0.00009 0.00000 -0.00014 0.00028 166 4YY 0.00003 0.00000 0.00002 -0.00005 0.00012 167 4ZZ 0.00007 0.00009 -0.00001 0.00008 0.00003 168 4XY -0.00009 -0.00005 0.00000 -0.00010 0.00020 169 4XZ -0.00003 -0.00001 -0.00002 -0.00002 0.00012 170 4YZ -0.00006 -0.00002 0.00001 -0.00002 -0.00002 171 21 C 1S -0.00005 0.00008 -0.00009 0.00010 0.00003 172 2S 0.00000 -0.00016 0.00011 -0.00026 0.00031 173 2PX -0.00020 -0.00013 0.00023 -0.00037 0.00016 174 2PY 0.00020 0.00006 0.00024 -0.00019 0.00010 175 2PZ 0.00011 0.00029 -0.00014 0.00024 0.00118 176 3S -0.00026 -0.00027 0.00021 -0.00048 0.00014 177 3PX -0.00012 -0.00013 0.00011 -0.00014 -0.00114 178 3PY 0.00002 0.00009 0.00008 0.00011 -0.00068 179 3PZ 0.00067 0.00046 -0.00021 0.00057 0.00049 180 4XX 0.00013 0.00005 -0.00004 0.00009 -0.00009 181 4YY 0.00000 -0.00001 0.00002 0.00001 -0.00008 182 4ZZ -0.00011 -0.00004 0.00001 -0.00009 0.00028 183 4XY 0.00008 0.00006 0.00002 0.00010 -0.00019 184 4XZ -0.00001 -0.00002 0.00000 -0.00001 0.00003 185 4YZ 0.00004 0.00007 -0.00001 0.00012 -0.00017 186 22 H 1S 0.00047 0.00021 -0.00017 0.00044 -0.00069 187 2S 0.00082 0.00047 -0.00027 0.00086 -0.00180 188 23 H 1S -0.00041 -0.00014 0.00006 -0.00038 0.00108 189 2S -0.00114 -0.00052 0.00017 -0.00089 0.00129 51 52 53 54 55 51 2S 0.17163 52 7 C 1S 0.01887 2.05499 53 2S -0.03228 -0.06133 0.32633 54 2PX -0.07741 -0.00315 0.00484 0.35438 55 2PY -0.00152 -0.00192 -0.00375 -0.02302 0.41150 56 2PZ 0.06794 0.00214 0.00093 -0.04004 -0.00391 57 3S -0.05898 -0.19786 0.29076 -0.01232 0.00350 58 3PX -0.03770 0.00758 -0.01606 0.19633 0.01982 59 3PY 0.01143 0.00759 0.00818 -0.00468 0.13001 60 3PZ 0.01286 0.00299 -0.00463 0.04846 0.01426 61 4XX 0.00157 -0.01132 -0.01296 0.00889 -0.00494 62 4YY -0.00514 -0.01838 0.00158 -0.00431 0.02196 63 4ZZ 0.00695 -0.01398 -0.00730 -0.00780 -0.01080 64 4XY 0.00520 0.00162 -0.00345 -0.00761 -0.00006 65 4XZ -0.00175 0.00249 -0.00560 -0.00455 0.00527 66 4YZ -0.00394 0.00080 -0.00152 0.00335 -0.00224 67 8 H 1S -0.02724 -0.05968 0.11295 -0.02950 0.26417 68 2S -0.03410 -0.01310 0.02596 -0.00936 0.24496 69 9 C 1S -0.00908 0.01252 -0.02296 0.02140 0.02961 70 2S 0.02150 -0.02336 0.03913 -0.04293 -0.05558 71 2PX 0.02678 -0.01703 0.03363 0.00058 -0.02747 72 2PY 0.01599 -0.02354 0.04878 -0.02060 -0.03175 73 2PZ -0.06648 0.06430 -0.13738 0.10092 0.12228 74 3S 0.05146 0.00259 0.02396 -0.09349 -0.11191 75 3PX 0.01217 -0.00270 0.01325 0.00002 -0.01603 76 3PY 0.01574 -0.00572 0.01151 -0.01361 0.00251 77 3PZ -0.04620 0.01308 -0.04401 0.04342 0.05786 78 4XX -0.00276 0.00197 -0.00451 0.00735 0.00167 79 4YY -0.00016 0.00080 -0.00221 0.00071 0.00983 80 4ZZ 0.00099 -0.00456 0.00847 -0.00572 -0.00740 81 4XY 0.00092 -0.00115 0.00204 0.00144 0.00102 82 4XZ 0.00197 0.00264 -0.00523 -0.00786 0.00344 83 4YZ -0.00199 0.00411 -0.00768 0.00393 -0.00339 84 10 H 1S -0.00359 0.00810 -0.02346 0.00300 0.00517 85 2S -0.00327 0.01255 -0.02989 -0.00777 0.01038 86 11 H 1S -0.02287 0.00809 -0.01963 0.02500 0.00186 87 2S -0.03821 0.01421 -0.02689 0.08196 0.01222 88 12 C 1S -0.00047 -0.00202 0.00420 -0.00309 -0.00914 89 2S -0.00005 0.00459 -0.00918 0.00430 0.01815 90 2PX -0.00382 0.00179 -0.00335 0.00566 0.00360 91 2PY 0.00097 0.01024 -0.02612 0.00233 0.03531 92 2PZ 0.00411 -0.00336 0.01372 -0.00368 -0.00754 93 3S -0.00166 -0.00082 -0.01381 0.04761 0.07651 94 3PX -0.00382 -0.00044 -0.00407 0.00895 0.00860 95 3PY -0.00068 0.00685 -0.01928 0.00920 0.05190 96 3PZ 0.00420 0.00017 0.00714 -0.01323 -0.00330 97 4XX 0.00114 -0.00043 0.00105 -0.00160 -0.00085 98 4YY -0.00032 -0.00057 0.00088 -0.00258 -0.00193 99 4ZZ -0.00008 0.00018 -0.00092 0.00295 0.00151 100 4XY 0.00069 -0.00034 0.00059 0.00054 -0.00070 101 4XZ -0.00148 0.00007 -0.00012 0.00227 0.00068 102 4YZ -0.00254 0.00151 -0.00341 0.00256 0.00454 103 13 H 1S 0.01032 -0.00421 0.01108 -0.01222 -0.01110 104 2S 0.01814 -0.00628 0.01442 -0.02775 -0.02015 105 14 H 1S -0.00021 -0.00194 0.00810 0.00893 -0.00402 106 2S -0.00043 -0.00257 0.00829 0.01198 -0.01251 107 15 C 1S 0.00058 -0.00096 0.00325 -0.00345 -0.00442 108 2S -0.00104 0.00309 -0.00398 0.00804 0.00652 109 2PX -0.00610 0.00603 -0.01973 0.00551 0.00669 110 2PY -0.00445 0.00166 -0.00257 0.02187 0.01613 111 2PZ -0.00388 0.00544 -0.01611 0.01143 0.00647 112 3S -0.00666 -0.00389 -0.01547 0.01232 0.04112 113 3PX -0.00107 0.00527 -0.01585 0.01451 0.00810 114 3PY -0.00089 -0.00344 0.00097 0.00292 0.01502 115 3PZ -0.00990 0.00096 -0.01388 0.02189 0.00949 116 4XX -0.00018 -0.00015 0.00009 0.00099 -0.00029 117 4YY -0.00042 0.00008 -0.00002 -0.00029 0.00010 118 4ZZ 0.00012 -0.00011 0.00080 -0.00017 -0.00085 119 4XY 0.00102 -0.00038 0.00017 -0.00560 -0.00230 120 4XZ -0.00047 0.00016 -0.00052 0.00161 0.00075 121 4YZ 0.00076 -0.00043 0.00030 -0.00504 -0.00154 122 16 H 1S 0.00361 -0.00217 0.00570 -0.01883 -0.00819 123 2S 0.00233 -0.00428 0.00823 -0.02241 -0.01238 124 17 C 1S -0.00151 -0.00194 0.00260 0.00847 0.00429 125 2S 0.00010 0.00084 -0.01173 -0.01034 -0.00290 126 2PX 0.01513 -0.00441 0.00258 -0.10014 -0.03476 127 2PY 0.00607 0.00057 -0.00516 -0.02517 -0.01768 128 2PZ 0.00953 -0.00773 0.01093 -0.08814 -0.02312 129 3S 0.00975 0.01939 -0.00899 -0.03372 -0.03762 130 3PX 0.00668 0.00116 -0.00240 -0.06898 -0.02647 131 3PY 0.00045 -0.00042 -0.00593 -0.01875 0.00972 132 3PZ 0.01870 0.00289 0.00279 -0.07184 -0.01843 133 4XX 0.00029 -0.00167 0.00292 -0.00639 -0.00237 134 4YY -0.00018 -0.00015 -0.00073 0.00200 0.00234 135 4ZZ 0.00021 0.00005 -0.00093 0.00299 0.00031 136 4XY 0.00047 -0.00065 0.00176 -0.00232 0.00081 137 4XZ 0.00056 -0.00087 0.00216 -0.00445 -0.00155 138 4YZ 0.00024 -0.00069 0.00189 -0.00161 0.00050 139 18 H 1S -0.00035 0.00601 -0.01493 0.02506 0.00205 140 2S 0.00497 0.00676 -0.01326 0.02744 0.00704 141 19 O 1S -0.00077 -0.00022 -0.00083 0.00029 0.00057 142 2S 0.00190 -0.00033 0.00190 -0.00261 -0.00159 143 2PX 0.00464 -0.00196 0.01055 -0.00509 -0.00635 144 2PY 0.00424 -0.00012 0.00069 -0.00507 -0.00593 145 2PZ -0.00294 -0.00038 0.00620 0.01086 0.00506 146 3S 0.00494 0.00417 0.00260 0.00467 -0.00356 147 3PX 0.00491 -0.00087 0.00952 -0.00798 -0.00668 148 3PY 0.00317 0.00084 0.00063 -0.00069 -0.00535 149 3PZ -0.00195 -0.00100 0.00697 0.00652 0.00313 150 4XX -0.00029 0.00014 -0.00070 0.00054 0.00032 151 4YY 0.00000 -0.00035 0.00001 -0.00039 -0.00001 152 4ZZ 0.00022 -0.00059 0.00049 -0.00162 -0.00047 153 4XY 0.00030 0.00006 0.00032 0.00007 0.00005 154 4XZ -0.00015 0.00001 -0.00012 0.00024 0.00009 155 4YZ 0.00001 0.00000 0.00005 -0.00046 -0.00022 156 20 O 1S 0.00148 -0.00006 0.00125 -0.00405 -0.00016 157 2S -0.00270 0.00144 -0.00358 0.00924 0.00011 158 2PX -0.00739 0.00873 -0.01383 0.06017 0.01144 159 2PY 0.00120 0.00185 -0.00158 0.00855 -0.00102 160 2PZ -0.00147 0.00817 -0.00917 0.05230 0.01310 161 3S -0.00955 -0.00559 -0.00094 0.01764 0.00059 162 3PX -0.00833 0.00394 -0.01002 0.05167 0.01066 163 3PY 0.00169 0.00167 -0.00082 0.00510 -0.00139 164 3PZ -0.00181 0.00726 -0.00761 0.04911 0.01408 165 4XX 0.00063 0.00024 -0.00022 -0.00249 -0.00102 166 4YY 0.00018 0.00041 0.00028 -0.00014 0.00053 167 4ZZ -0.00002 0.00077 -0.00013 0.00221 0.00025 168 4XY 0.00051 -0.00030 0.00069 -0.00263 -0.00049 169 4XZ 0.00021 -0.00009 0.00043 -0.00078 -0.00004 170 4YZ -0.00026 -0.00035 0.00059 -0.00104 0.00015 171 21 C 1S -0.00020 0.00031 0.00016 0.00231 0.00028 172 2S 0.00145 -0.00014 0.00012 -0.00529 -0.00125 173 2PX 0.00178 -0.00106 0.00104 -0.00790 -0.00130 174 2PY 0.00108 -0.00029 0.00035 -0.00364 0.00068 175 2PZ 0.00026 -0.00089 0.00171 0.00117 0.00103 176 3S 0.00175 -0.00167 -0.00067 -0.01411 -0.00313 177 3PX -0.00061 -0.00070 -0.00066 -0.00055 0.00011 178 3PY -0.00008 0.00010 -0.00080 0.00116 -0.00035 179 3PZ 0.00033 -0.00012 0.00144 0.01064 0.00170 180 4XX -0.00015 0.00047 -0.00028 0.00261 0.00032 181 4YY -0.00005 0.00012 -0.00013 0.00034 0.00024 182 4ZZ 0.00025 -0.00034 0.00032 -0.00260 -0.00051 183 4XY -0.00050 0.00036 -0.00075 0.00234 0.00068 184 4XZ 0.00001 0.00011 -0.00015 0.00004 -0.00016 185 4YZ -0.00019 0.00050 -0.00078 0.00242 0.00047 186 22 H 1S -0.00121 0.00143 -0.00087 0.01077 0.00153 187 2S -0.00265 0.00191 -0.00083 0.02157 0.00370 188 23 H 1S 0.00092 -0.00145 0.00102 -0.00985 -0.00185 189 2S 0.00049 -0.00192 0.00051 -0.01930 -0.00326 56 57 58 59 60 56 2PZ 0.38398 57 3S -0.02810 0.30081 58 3PX 0.03213 -0.02134 0.12483 59 3PY 0.01754 -0.00568 0.00622 0.05323 60 3PZ 0.17020 -0.02586 0.05265 0.01511 0.09657 61 4XX -0.00139 -0.01129 0.00519 -0.00167 0.00074 62 4YY -0.00249 0.00386 -0.00114 0.00653 -0.00037 63 4ZZ 0.00468 -0.00678 -0.00449 -0.00330 -0.00006 64 4XY 0.00415 -0.00321 -0.00319 0.00011 0.00028 65 4XZ 0.00117 -0.00351 -0.00170 0.00145 -0.00062 66 4YZ -0.01082 -0.00059 0.00006 -0.00161 -0.00357 67 8 H 1S -0.02239 0.11236 -0.00500 0.08411 -0.00398 68 2S -0.02174 0.03318 0.01109 0.07233 0.00224 69 9 C 1S -0.05183 -0.00159 0.00447 0.00709 -0.00575 70 2S 0.10793 0.01521 -0.01063 -0.01666 0.02430 71 2PX 0.08279 0.03848 0.00014 -0.00297 0.01544 72 2PY 0.11059 0.03628 -0.00744 -0.01304 0.05091 73 2PZ -0.23444 -0.11066 0.03881 0.01894 -0.09077 74 3S 0.08679 0.00025 -0.04849 -0.02852 -0.00062 75 3PX 0.03724 0.01150 -0.00163 0.00036 0.00751 76 3PY 0.05349 0.00991 -0.00133 -0.00478 0.02380 77 3PZ -0.11711 -0.02317 0.01621 0.00279 -0.04787 78 4XX -0.00376 -0.00465 0.00410 -0.00008 0.00009 79 4YY -0.00222 -0.00176 0.00124 0.00343 -0.00013 80 4ZZ 0.00103 0.00860 -0.00454 -0.00230 -0.00148 81 4XY 0.00361 0.00248 0.00120 0.00060 0.00105 82 4XZ -0.00569 -0.00329 -0.00506 0.00035 -0.00512 83 4YZ -0.00870 -0.00614 0.00155 -0.00275 -0.00416 84 10 H 1S -0.02612 -0.01621 -0.00407 -0.00728 -0.02954 85 2S -0.05900 -0.01439 -0.01442 -0.00673 -0.04305 86 11 H 1S -0.02346 -0.03206 0.01667 -0.00582 0.00217 87 2S -0.02902 -0.04478 0.04616 0.00375 0.01687 88 12 C 1S 0.00489 0.00384 -0.00367 -0.00396 0.00182 89 2S -0.01662 -0.00944 0.00478 0.00900 -0.00698 90 2PX -0.00156 -0.01286 -0.00202 0.00012 0.00419 91 2PY -0.03068 -0.02808 0.00941 0.01241 -0.02232 92 2PZ 0.02386 -0.00625 -0.01451 0.02511 0.02495 93 3S 0.00222 -0.01018 0.04232 0.02364 0.01382 94 3PX 0.00186 -0.00768 0.00405 0.00200 0.00495 95 3PY -0.01856 -0.01837 0.01155 0.01565 -0.00895 96 3PZ 0.01589 -0.00341 -0.01369 0.01142 0.01347 97 4XX -0.00003 0.00059 -0.00185 0.00079 -0.00002 98 4YY 0.00054 0.00052 -0.00138 -0.00036 -0.00117 99 4ZZ 0.00091 -0.00049 0.00227 -0.00067 0.00161 100 4XY 0.00294 0.00113 0.00075 -0.00018 0.00084 101 4XZ 0.00233 0.00028 0.00192 0.00020 0.00237 102 4YZ -0.00723 -0.00211 0.00124 0.00039 -0.00342 103 13 H 1S 0.01087 0.01099 -0.00908 0.00456 0.00276 104 2S 0.01327 0.01058 -0.02206 0.00344 -0.00202 105 14 H 1S 0.02448 -0.00357 0.00076 0.00939 0.02501 106 2S 0.03392 0.00101 0.00619 0.00172 0.02871 107 15 C 1S -0.00067 -0.00040 -0.00319 0.00096 -0.00134 108 2S 0.00424 -0.00631 0.00583 0.00157 0.00436 109 2PX 0.00168 0.01556 0.01655 -0.02129 0.00021 110 2PY 0.01219 -0.00883 0.01832 0.00074 0.01983 111 2PZ 0.00574 0.00403 0.02251 -0.01489 -0.00080 112 3S -0.01990 -0.00130 0.00674 0.00007 -0.00726 113 3PX 0.01706 0.00102 0.01969 -0.01039 0.01000 114 3PY -0.01068 -0.00790 -0.00152 0.00612 0.00095 115 3PZ -0.00462 0.00824 0.02266 -0.01132 -0.00260 116 4XX 0.00081 0.00049 0.00095 -0.00074 0.00042 117 4YY -0.00048 0.00091 0.00001 -0.00033 -0.00013 118 4ZZ 0.00000 -0.00076 -0.00060 0.00108 -0.00013 119 4XY -0.00325 0.00075 -0.00377 -0.00102 -0.00331 120 4XZ 0.00149 0.00094 0.00168 -0.00101 0.00147 121 4YZ -0.00330 0.00173 -0.00387 -0.00112 -0.00305 122 16 H 1S -0.01268 0.00324 -0.01988 0.00389 -0.01163 123 2S -0.02170 0.00515 -0.02249 0.00373 -0.01649 124 17 C 1S 0.00247 0.00478 -0.00166 0.00192 0.00398 125 2S -0.00678 0.00192 0.00229 -0.00689 -0.00726 126 2PX -0.05658 0.00887 -0.06588 -0.01526 -0.05403 127 2PY -0.00961 0.00287 -0.01537 -0.00266 -0.01961 128 2PZ -0.05948 0.03444 -0.06237 -0.01964 -0.05023 129 3S 0.01767 0.00636 -0.00805 -0.01668 -0.00662 130 3PX -0.05832 0.01134 -0.04884 -0.01406 -0.04814 131 3PY -0.01999 0.00141 -0.01359 -0.00004 -0.01788 132 3PZ -0.02540 0.01279 -0.04693 -0.01042 -0.03214 133 4XX -0.00507 0.00713 -0.00462 -0.00313 -0.00458 134 4YY 0.00114 -0.00222 0.00124 0.00109 0.00142 135 4ZZ 0.00308 -0.00433 0.00193 0.00251 0.00258 136 4XY -0.00135 -0.00025 -0.00167 0.00187 -0.00109 137 4XZ -0.00101 0.00175 -0.00305 -0.00075 -0.00144 138 4YZ -0.00103 0.00000 -0.00253 0.00115 0.00021 139 18 H 1S 0.02151 -0.01949 0.02452 0.00647 0.01188 140 2S 0.02830 -0.02523 0.02497 0.01130 0.01832 141 19 O 1S -0.00037 0.00478 -0.00034 -0.00292 -0.00038 142 2S -0.00241 -0.01173 -0.00063 0.00709 -0.00261 143 2PX -0.00385 -0.01344 -0.00600 0.01726 -0.00465 144 2PY -0.00209 -0.01505 -0.01029 0.00351 -0.00630 145 2PZ 0.00368 -0.00947 0.00672 0.01298 0.01135 146 3S 0.01629 -0.02206 0.00574 0.01074 0.01419 147 3PX -0.00036 -0.00993 -0.00766 0.01274 -0.00164 148 3PY 0.00211 -0.01204 -0.00556 0.00295 -0.00120 149 3PZ 0.00014 -0.00814 0.00201 0.01205 0.00637 150 4XX -0.00035 -0.00027 0.00061 -0.00014 -0.00022 151 4YY -0.00100 -0.00009 -0.00059 0.00005 -0.00109 152 4ZZ -0.00143 0.00113 -0.00155 -0.00034 -0.00116 153 4XY 0.00023 -0.00078 0.00003 0.00066 0.00012 154 4XZ 0.00015 0.00042 0.00039 -0.00024 0.00009 155 4YZ -0.00047 0.00012 -0.00021 0.00012 -0.00030 156 20 O 1S 0.00063 -0.00072 0.00230 0.00276 -0.00411 157 2S 0.00160 0.00712 -0.00370 -0.00819 0.00913 158 2PX 0.01990 -0.06028 0.03299 0.03530 0.03605 159 2PY 0.00432 -0.03800 -0.01212 0.00543 0.01761 160 2PZ 0.02772 -0.09401 0.02373 0.05518 0.04427 161 3S -0.01794 0.00111 -0.00865 -0.00732 0.00834 162 3PX 0.01442 -0.04703 0.02858 0.02793 0.02875 163 3PY 0.00720 -0.02461 -0.00712 0.00338 0.01324 164 3PZ 0.03125 -0.06982 0.02547 0.04144 0.04036 165 4XX -0.00083 -0.00102 -0.00166 0.00027 -0.00089 166 4YY 0.00077 0.00234 0.00115 -0.00011 -0.00071 167 4ZZ 0.00242 0.00016 0.00189 -0.00023 0.00144 168 4XY -0.00036 0.00189 -0.00171 -0.00110 -0.00119 169 4XZ -0.00006 -0.00060 -0.00060 0.00050 -0.00008 170 4YZ -0.00080 0.00344 -0.00027 -0.00177 -0.00116 171 21 C 1S 0.00028 -0.00427 0.00077 0.00191 0.00079 172 2S -0.00036 0.00569 -0.00091 -0.00096 -0.00392 173 2PX -0.00107 0.01578 -0.00102 -0.00453 -0.00867 174 2PY 0.00185 0.00790 0.00266 0.00143 -0.00229 175 2PZ 0.00274 0.01040 0.00061 -0.00643 0.00420 176 3S -0.00050 0.00770 -0.00507 -0.00321 -0.00672 177 3PX -0.00162 0.00048 0.00104 0.00156 -0.00252 178 3PY 0.00114 -0.00406 0.00167 0.00206 0.00053 179 3PZ 0.00865 -0.00687 0.00524 0.00534 0.00993 180 4XX 0.00062 -0.00399 0.00129 0.00246 0.00156 181 4YY 0.00036 -0.00117 -0.00005 0.00051 0.00071 182 4ZZ -0.00089 0.00504 -0.00109 -0.00302 -0.00210 183 4XY 0.00100 -0.00072 0.00172 0.00061 0.00133 184 4XZ 0.00005 -0.00051 -0.00013 -0.00009 0.00040 185 4YZ 0.00097 -0.00384 0.00104 0.00135 0.00158 186 22 H 1S 0.00282 -0.01838 0.00434 0.01008 0.00829 187 2S 0.00566 -0.02977 0.00954 0.01789 0.01475 188 23 H 1S -0.00338 0.02162 -0.00370 -0.01276 -0.00673 189 2S -0.01360 0.03444 -0.00889 -0.02265 -0.01665 61 62 63 64 65 61 4XX 0.00150 62 4YY -0.00052 0.00186 63 4ZZ 0.00006 -0.00073 0.00145 64 4XY 0.00000 -0.00013 0.00035 0.00042 65 4XZ 0.00001 0.00039 -0.00006 0.00009 0.00069 66 4YZ 0.00014 -0.00011 -0.00004 -0.00027 -0.00008 67 8 H 1S -0.00852 0.01672 -0.00994 -0.00155 0.00194 68 2S -0.00501 0.01588 -0.00875 -0.00136 0.00308 69 9 C 1S 0.00166 0.00168 -0.00511 -0.00133 0.00199 70 2S -0.00384 -0.00345 0.00884 0.00249 -0.00366 71 2PX -0.00729 -0.00095 0.00569 -0.00083 0.00912 72 2PY -0.00066 -0.00951 0.00774 -0.00064 -0.00272 73 2PZ 0.00546 0.00362 0.00069 -0.00405 0.00357 74 3S -0.00366 -0.00683 0.01172 0.00382 -0.00371 75 3PX -0.00316 -0.00063 0.00265 -0.00044 0.00422 76 3PY -0.00082 -0.00362 0.00392 0.00013 -0.00107 77 3PZ 0.00129 0.00255 -0.00032 -0.00239 0.00116 78 4XX 0.00055 -0.00029 0.00004 -0.00017 -0.00026 79 4YY -0.00011 0.00085 -0.00055 0.00004 0.00019 80 4ZZ -0.00043 -0.00040 0.00029 -0.00001 0.00010 81 4XY -0.00026 0.00004 0.00009 -0.00006 0.00038 82 4XZ -0.00024 0.00016 0.00052 0.00012 0.00062 83 4YZ 0.00030 -0.00031 0.00033 -0.00008 0.00002 84 10 H 1S -0.00244 -0.00242 0.00811 -0.00106 0.00402 85 2S -0.00102 -0.00166 0.00534 -0.00102 0.00504 86 11 H 1S 0.00457 -0.00287 0.00117 -0.00001 -0.00707 87 2S 0.00609 -0.00200 -0.00219 -0.00146 -0.00575 88 12 C 1S 0.00030 -0.00149 0.00048 -0.00034 -0.00008 89 2S -0.00104 0.00320 -0.00117 0.00074 0.00025 90 2PX -0.00016 0.00053 -0.00018 -0.00001 -0.00082 91 2PY -0.00102 0.00819 -0.00394 0.00173 0.00099 92 2PZ 0.00235 -0.00100 0.00006 -0.00056 0.00056 93 3S -0.00084 0.00541 -0.00339 0.00077 0.00033 94 3PX -0.00010 0.00059 -0.00022 -0.00018 -0.00058 95 3PY -0.00038 0.00567 -0.00314 0.00045 0.00110 96 3PZ 0.00079 0.00003 -0.00024 -0.00014 0.00060 97 4XX 0.00012 -0.00023 0.00006 -0.00006 0.00005 98 4YY -0.00021 0.00009 0.00022 0.00008 -0.00008 99 4ZZ 0.00010 -0.00009 -0.00005 -0.00001 -0.00003 100 4XY -0.00020 -0.00003 0.00016 -0.00002 0.00028 101 4XZ 0.00014 0.00003 -0.00008 0.00002 0.00001 102 4YZ 0.00004 0.00020 -0.00002 -0.00012 0.00009 103 13 H 1S -0.00024 -0.00155 0.00123 -0.00018 0.00082 104 2S -0.00114 -0.00210 0.00239 -0.00041 0.00093 105 14 H 1S 0.00137 -0.00101 -0.00013 -0.00010 -0.00069 106 2S 0.00250 -0.00204 -0.00037 0.00006 -0.00099 107 15 C 1S -0.00050 -0.00011 0.00057 -0.00027 -0.00026 108 2S 0.00121 0.00041 -0.00090 0.00041 0.00034 109 2PX 0.00643 -0.00097 -0.00319 0.00143 0.00303 110 2PY -0.00220 0.00126 0.00002 0.00056 -0.00109 111 2PZ 0.00551 -0.00060 -0.00256 0.00100 0.00228 112 3S 0.00313 0.00160 -0.00306 0.00030 0.00172 113 3PX 0.00457 -0.00070 -0.00203 0.00087 0.00156 114 3PY -0.00248 0.00134 0.00064 0.00000 -0.00055 115 3PZ 0.00449 -0.00045 -0.00256 0.00032 0.00176 116 4XX 0.00002 -0.00003 -0.00003 -0.00001 0.00002 117 4YY 0.00001 0.00000 -0.00004 0.00001 0.00003 118 4ZZ -0.00011 0.00000 0.00012 -0.00007 -0.00008 119 4XY 0.00023 -0.00013 0.00001 0.00010 0.00023 120 4XZ 0.00002 0.00001 -0.00009 0.00005 -0.00002 121 4YZ 0.00021 -0.00009 -0.00009 0.00009 0.00015 122 16 H 1S -0.00039 -0.00023 0.00048 -0.00024 -0.00001 123 2S -0.00119 -0.00023 0.00102 -0.00025 -0.00013 124 17 C 1S -0.00149 0.00012 -0.00031 -0.00016 -0.00082 125 2S 0.00265 -0.00135 -0.00051 0.00064 0.00234 126 2PX 0.00497 -0.00229 -0.00005 0.00256 0.00542 127 2PY 0.00347 -0.00230 0.00012 -0.00041 0.00262 128 2PZ 0.00292 -0.00079 -0.00139 0.00185 0.00200 129 3S 0.00473 -0.00365 -0.00023 0.00143 0.00286 130 3PX 0.00308 -0.00184 0.00015 0.00135 0.00370 131 3PY 0.00193 0.00001 -0.00089 -0.00004 0.00204 132 3PZ 0.00248 -0.00113 -0.00027 0.00168 0.00205 133 4XX -0.00044 0.00003 0.00011 -0.00002 -0.00022 134 4YY 0.00004 0.00015 -0.00007 0.00001 0.00004 135 4ZZ 0.00018 -0.00003 0.00003 -0.00004 0.00003 136 4XY -0.00038 0.00013 0.00018 -0.00002 -0.00006 137 4XZ -0.00023 0.00003 0.00010 0.00010 -0.00003 138 4YZ -0.00043 0.00015 0.00011 -0.00003 -0.00023 139 18 H 1S 0.00237 -0.00130 0.00016 -0.00041 0.00178 140 2S 0.00128 -0.00061 0.00053 -0.00025 0.00071 141 19 O 1S 0.00005 -0.00013 -0.00024 0.00001 0.00001 142 2S 0.00009 0.00025 0.00047 -0.00007 0.00013 143 2PX -0.00284 0.00074 0.00252 -0.00087 -0.00149 144 2PY 0.00058 -0.00051 0.00016 -0.00024 0.00051 145 2PZ -0.00301 0.00126 0.00186 -0.00054 -0.00179 146 3S -0.00127 0.00029 0.00152 0.00019 -0.00050 147 3PX -0.00285 0.00057 0.00228 -0.00059 -0.00135 148 3PY 0.00038 -0.00046 0.00020 -0.00018 0.00030 149 3PZ -0.00271 0.00102 0.00156 -0.00056 -0.00155 150 4XX 0.00027 -0.00002 -0.00012 0.00002 0.00009 151 4YY 0.00006 -0.00002 -0.00004 -0.00003 0.00004 152 4ZZ -0.00011 -0.00001 0.00003 -0.00002 -0.00003 153 4XY -0.00012 0.00005 0.00008 -0.00001 -0.00007 154 4XZ 0.00002 -0.00001 -0.00002 0.00000 0.00001 155 4YZ 0.00002 0.00000 0.00004 -0.00001 0.00002 156 20 O 1S 0.00035 0.00017 0.00017 0.00005 0.00011 157 2S -0.00046 -0.00051 -0.00055 -0.00017 -0.00025 158 2PX 0.00294 -0.00017 -0.00088 -0.00094 0.00016 159 2PY 0.00031 0.00000 0.00001 0.00031 0.00046 160 2PZ 0.00201 0.00057 0.00046 0.00013 0.00175 161 3S -0.00246 0.00010 0.00027 -0.00047 -0.00071 162 3PX 0.00149 0.00019 -0.00035 -0.00084 -0.00012 163 3PY 0.00033 -0.00005 -0.00007 0.00030 0.00019 164 3PZ 0.00128 0.00055 0.00015 -0.00014 0.00076 165 4XX 0.00033 -0.00011 -0.00007 0.00008 0.00020 166 4YY -0.00001 0.00002 -0.00005 -0.00002 -0.00001 167 4ZZ -0.00001 -0.00003 -0.00002 -0.00004 -0.00007 168 4XY -0.00010 -0.00001 0.00005 0.00003 0.00002 169 4XZ 0.00002 0.00003 0.00000 0.00003 -0.00005 170 4YZ -0.00021 0.00004 0.00000 -0.00003 -0.00017 171 21 C 1S 0.00004 0.00013 0.00003 -0.00003 -0.00016 172 2S 0.00020 -0.00018 0.00009 -0.00003 0.00059 173 2PX -0.00021 -0.00006 0.00010 -0.00012 0.00040 174 2PY -0.00035 0.00002 0.00026 0.00017 0.00029 175 2PZ -0.00101 0.00037 0.00014 -0.00014 -0.00019 176 3S 0.00069 -0.00020 -0.00002 0.00016 0.00113 177 3PX 0.00030 0.00012 -0.00010 -0.00009 0.00002 178 3PY 0.00023 -0.00009 0.00009 0.00006 0.00014 179 3PZ -0.00113 0.00041 0.00050 -0.00026 -0.00024 180 4XX 0.00006 0.00002 0.00004 -0.00004 -0.00007 181 4YY -0.00003 0.00002 0.00002 0.00003 0.00003 182 4ZZ -0.00004 -0.00004 -0.00008 0.00001 0.00000 183 4XY 0.00015 -0.00002 -0.00010 0.00001 0.00004 184 4XZ 0.00006 -0.00002 -0.00001 0.00002 0.00002 185 4YZ 0.00024 -0.00002 -0.00009 0.00000 0.00009 186 22 H 1S 0.00012 0.00009 0.00020 -0.00012 -0.00031 187 2S -0.00027 0.00042 0.00042 -0.00035 -0.00087 188 23 H 1S -0.00017 -0.00012 -0.00023 0.00000 0.00017 189 2S 0.00052 -0.00043 -0.00084 0.00028 0.00005 66 67 68 69 70 66 4YZ 0.00065 67 8 H 1S -0.00166 0.21714 68 2S -0.00101 0.17586 0.16496 69 9 C 1S 0.00341 0.01166 0.01408 2.05092 70 2S -0.00665 -0.02373 -0.02635 -0.05342 0.30682 71 2PX -0.00319 -0.00665 -0.01502 0.00089 -0.00094 72 2PY 0.00436 -0.03135 -0.05920 -0.00199 0.00121 73 2PZ 0.00855 0.03237 0.06662 -0.00339 0.00249 74 3S -0.00657 -0.06426 -0.06880 -0.18586 0.27977 75 3PX -0.00139 -0.00612 -0.00959 0.00226 -0.00384 76 3PY 0.00181 -0.00755 -0.01771 0.00044 0.00252 77 3PZ 0.00427 0.02544 0.03800 -0.00163 0.00937 78 4XX 0.00039 -0.00156 -0.00043 -0.01787 0.00020 79 4YY -0.00020 0.00650 0.00719 -0.01551 -0.00514 80 4ZZ 0.00009 -0.00183 -0.00457 -0.01630 -0.00351 81 4XY -0.00013 0.00120 0.00058 0.00055 -0.00106 82 4XZ 0.00011 0.00093 0.00157 -0.00049 0.00110 83 4YZ 0.00031 -0.00478 -0.00205 -0.00140 0.00268 84 10 H 1S 0.00143 -0.00897 -0.00497 -0.05287 0.10196 85 2S 0.00279 -0.00567 -0.00227 -0.00700 0.02105 86 11 H 1S 0.00219 -0.01340 -0.00728 -0.05307 0.10305 87 2S 0.00327 -0.01059 -0.00005 -0.00471 0.02008 88 12 C 1S 0.00110 -0.00717 -0.00907 0.01015 -0.01940 89 2S -0.00198 0.01458 0.01876 -0.01940 0.03034 90 2PX -0.00032 0.00151 0.00484 -0.00025 0.00110 91 2PY -0.00723 0.03618 0.06046 -0.06234 0.12842 92 2PZ 0.00107 -0.00432 -0.01988 0.00363 -0.00757 93 3S -0.00249 0.04599 0.05207 0.00627 0.00956 94 3PX -0.00017 0.00397 0.00610 -0.00051 0.00149 95 3PY -0.00317 0.03698 0.04915 -0.01398 0.04159 96 3PZ 0.00055 -0.00016 -0.00653 0.00320 -0.00959 97 4XX 0.00021 -0.00081 -0.00228 0.00206 -0.00506 98 4YY -0.00034 -0.00011 0.00022 -0.00682 0.01180 99 4ZZ 0.00021 -0.00001 0.00045 0.00208 -0.00477 100 4XY -0.00007 -0.00029 -0.00036 -0.00001 0.00001 101 4XZ 0.00004 0.00020 0.00043 0.00011 -0.00018 102 4YZ 0.00018 0.00198 0.00306 -0.00033 0.00032 103 13 H 1S 0.00098 -0.00723 -0.01829 0.00761 -0.01999 104 2S 0.00075 -0.01152 -0.02512 0.00792 -0.01755 105 14 H 1S 0.00104 -0.00530 -0.01305 0.00840 -0.02008 106 2S 0.00117 -0.01225 -0.01807 0.01010 -0.02085 107 15 C 1S -0.00015 -0.00154 -0.00262 -0.00135 0.00330 108 2S 0.00011 0.00207 0.00378 0.00251 -0.00445 109 2PX 0.00055 -0.00480 0.00466 0.00750 -0.01644 110 2PY 0.00046 0.00972 0.01646 -0.00026 0.00227 111 2PZ 0.00053 -0.00401 0.00643 0.00677 -0.01384 112 3S 0.00055 0.02040 0.02628 0.00525 -0.02178 113 3PX 0.00014 -0.00386 0.00371 0.00501 -0.00781 114 3PY 0.00041 0.01138 0.01247 -0.00098 -0.00158 115 3PZ 0.00046 -0.00075 0.00676 0.00473 -0.01518 116 4XX 0.00004 -0.00023 0.00028 0.00003 0.00002 117 4YY 0.00001 0.00017 0.00016 -0.00008 0.00002 118 4ZZ -0.00007 -0.00023 -0.00084 -0.00049 0.00104 119 4XY 0.00004 -0.00116 -0.00147 0.00020 -0.00070 120 4XZ 0.00000 0.00024 0.00089 0.00000 0.00019 121 4YZ 0.00003 -0.00057 -0.00103 0.00011 -0.00086 122 16 H 1S -0.00028 -0.00202 -0.00895 -0.00132 0.00098 123 2S -0.00010 -0.00284 -0.01063 -0.00232 0.00125 124 17 C 1S -0.00007 0.00409 0.00293 -0.00160 0.00237 125 2S 0.00042 -0.00635 -0.00299 0.00232 -0.00725 126 2PX 0.00118 -0.01728 -0.02259 0.00602 -0.01601 127 2PY -0.00042 -0.01448 -0.01735 0.00137 -0.00410 128 2PZ 0.00099 -0.00488 -0.01181 0.00522 -0.01808 129 3S -0.00039 -0.02953 -0.02850 0.00608 -0.00127 130 3PX 0.00132 -0.01404 -0.01789 0.00471 -0.01727 131 3PY 0.00012 0.00488 0.00480 0.00098 -0.01047 132 3PZ 0.00000 -0.00815 -0.01337 0.00665 -0.00699 133 4XX 0.00008 0.00033 -0.00067 -0.00063 0.00056 134 4YY -0.00001 0.00113 0.00161 0.00003 -0.00028 135 4ZZ -0.00010 -0.00055 -0.00051 -0.00062 0.00051 136 4XY 0.00001 0.00138 0.00017 -0.00037 0.00055 137 4XZ 0.00000 0.00012 -0.00046 -0.00066 0.00101 138 4YZ -0.00001 0.00127 0.00062 -0.00023 0.00046 139 18 H 1S -0.00042 -0.00806 -0.00417 0.00045 0.00109 140 2S -0.00067 -0.00437 -0.00118 0.00047 0.00574 141 19 O 1S 0.00001 0.00027 0.00064 0.00035 -0.00090 142 2S 0.00003 -0.00065 -0.00182 -0.00036 0.00121 143 2PX -0.00036 0.00043 -0.00854 -0.00404 0.00893 144 2PY 0.00001 -0.00415 -0.00309 0.00108 -0.00205 145 2PZ -0.00037 0.00616 0.00133 -0.00486 0.01105 146 3S -0.00001 -0.00284 -0.00271 -0.00302 0.00784 147 3PX -0.00031 0.00001 -0.00716 -0.00391 0.00955 148 3PY -0.00001 -0.00404 -0.00309 0.00036 -0.00119 149 3PZ -0.00033 0.00530 0.00039 -0.00479 0.00936 150 4XX 0.00000 -0.00014 0.00008 0.00039 -0.00038 151 4YY 0.00001 0.00004 -0.00003 0.00020 -0.00039 152 4ZZ -0.00001 0.00006 -0.00024 0.00013 0.00007 153 4XY -0.00001 0.00017 -0.00002 -0.00012 0.00032 154 4XZ 0.00000 0.00000 0.00006 0.00004 -0.00003 155 4YZ -0.00002 -0.00008 -0.00028 -0.00012 0.00005 156 20 O 1S 0.00000 0.00030 -0.00252 -0.00055 0.00098 157 2S -0.00013 -0.00116 0.00540 0.00228 -0.00251 158 2PX -0.00009 -0.00315 0.00050 0.00379 -0.01216 159 2PY -0.00005 -0.00246 0.00906 0.00113 0.00119 160 2PZ -0.00007 -0.00083 -0.00039 0.00311 -0.00877 161 3S 0.00071 0.00161 0.01046 -0.00116 -0.00487 162 3PX 0.00009 -0.00072 0.00210 0.00096 -0.00699 163 3PY -0.00017 -0.00217 0.00532 0.00085 0.00248 164 3PZ -0.00036 0.00107 0.00268 0.00116 -0.00346 165 4XX -0.00001 -0.00078 -0.00088 0.00046 -0.00072 166 4YY -0.00004 0.00045 -0.00030 0.00040 -0.00042 167 4ZZ -0.00006 -0.00011 0.00018 0.00021 0.00056 168 4XY -0.00002 0.00008 -0.00008 -0.00008 0.00060 169 4XZ 0.00000 0.00013 -0.00014 -0.00030 0.00048 170 4YZ 0.00002 0.00054 0.00048 -0.00031 0.00067 171 21 C 1S 0.00007 0.00003 0.00032 -0.00065 0.00136 172 2S -0.00011 -0.00057 -0.00251 0.00156 -0.00372 173 2PX -0.00005 0.00048 -0.00236 0.00189 -0.00416 174 2PY -0.00002 0.00079 -0.00312 -0.00001 -0.00040 175 2PZ -0.00016 0.00234 0.00528 0.00280 -0.00422 176 3S -0.00013 -0.00148 -0.00319 0.00356 -0.00478 177 3PX -0.00009 0.00031 -0.00078 -0.00052 0.00167 178 3PY 0.00004 -0.00086 -0.00100 -0.00086 0.00110 179 3PZ -0.00028 0.00146 0.00219 0.00189 -0.00206 180 4XX -0.00002 -0.00016 -0.00032 -0.00032 0.00025 181 4YY 0.00000 0.00008 0.00021 -0.00006 0.00027 182 4ZZ 0.00001 0.00006 0.00022 0.00026 -0.00041 183 4XY 0.00001 -0.00003 0.00011 0.00015 -0.00060 184 4XZ 0.00000 -0.00021 0.00000 -0.00001 0.00004 185 4YZ 0.00001 -0.00029 0.00036 0.00031 -0.00062 186 22 H 1S -0.00004 -0.00050 -0.00052 -0.00148 0.00243 187 2S -0.00013 0.00055 0.00034 -0.00291 0.00563 188 23 H 1S 0.00002 0.00045 0.00164 0.00270 -0.00472 189 2S 0.00029 0.00001 0.00219 -0.00010 -0.00130 71 72 73 74 75 71 2PX 0.41189 72 2PY -0.00498 0.38123 73 2PZ 0.00312 0.00574 0.38896 74 3S 0.00647 -0.00791 -0.02479 0.30211 75 3PX 0.18594 -0.00354 -0.00071 0.00138 0.08584 76 3PY 0.00077 0.17352 0.00965 -0.00728 -0.00185 77 3PZ -0.00744 0.00608 0.17988 -0.00701 -0.00654 78 4XX -0.01071 0.01028 0.01118 -0.00035 -0.00491 79 4YY -0.00055 -0.01508 -0.00106 -0.00514 -0.00019 80 4ZZ 0.01050 0.00820 -0.00579 -0.00016 0.00476 81 4XY 0.01580 -0.00028 0.00038 -0.00117 0.00723 82 4XZ 0.01498 -0.00054 0.01184 0.00235 0.00666 83 4YZ -0.00004 0.00065 0.01285 0.00250 -0.00017 84 10 H 1S 0.18033 0.08036 0.17915 0.09108 0.07911 85 2S 0.16499 0.06613 0.15931 0.01900 0.07323 86 11 H 1S -0.24405 0.09273 0.06771 0.08095 -0.11185 87 2S -0.21324 0.07574 0.05594 -0.00678 -0.09431 88 12 C 1S -0.00028 0.06233 0.00373 0.00627 -0.00051 89 2S 0.00115 -0.12841 -0.00779 0.00956 0.00150 90 2PX -0.00075 0.00204 -0.00492 -0.00450 -0.00516 91 2PY -0.00190 -0.31488 -0.00238 0.12580 -0.00282 92 2PZ -0.00493 0.00184 0.00696 -0.00414 0.00108 93 3S -0.00441 -0.12578 -0.00434 -0.03255 -0.00252 94 3PX -0.00513 0.00288 0.00111 -0.00253 -0.00533 95 3PY -0.00010 -0.14640 0.01468 0.03365 -0.00179 96 3PZ 0.00071 -0.00220 -0.00676 -0.00814 0.00274 97 4XX 0.00023 0.00708 0.00044 -0.00420 0.00048 98 4YY 0.00037 -0.00827 0.00044 0.01297 0.00018 99 4ZZ -0.00063 0.00812 0.00084 -0.00657 -0.00074 100 4XY 0.01155 -0.00033 0.00029 -0.00016 0.00535 101 4XZ -0.00062 -0.00060 -0.00060 -0.00163 -0.00063 102 4YZ 0.00043 0.00005 0.01048 0.00040 0.00012 103 13 H 1S 0.02272 0.02939 -0.00275 -0.01939 0.01474 104 2S 0.04408 0.05181 -0.00216 -0.00376 0.02329 105 14 H 1S -0.01885 0.02735 -0.01612 -0.03337 -0.00938 106 2S -0.03500 0.05264 -0.02226 -0.03232 -0.01824 107 15 C 1S -0.00010 -0.00130 -0.00447 0.00485 0.00199 108 2S 0.00034 0.00180 0.00621 -0.00905 -0.00102 109 2PX -0.00554 0.00832 0.02321 -0.04200 -0.01625 110 2PY 0.00294 -0.00295 0.00039 -0.00887 0.00246 111 2PZ -0.00340 0.00668 0.01784 -0.03621 -0.00603 112 3S 0.00056 0.00371 0.04391 -0.04202 -0.00316 113 3PX -0.01196 0.01241 0.01019 -0.02846 -0.01263 114 3PY 0.00920 -0.00421 0.00921 -0.00531 0.00703 115 3PZ -0.00203 0.00044 0.02312 -0.03146 -0.00619 116 4XX 0.00010 0.00020 -0.00036 -0.00109 0.00047 117 4YY 0.00039 -0.00053 0.00051 0.00031 -0.00016 118 4ZZ -0.00049 -0.00051 -0.00123 0.00205 -0.00013 119 4XY 0.00069 -0.00008 0.00080 -0.00001 0.00060 120 4XZ -0.00064 0.00001 -0.00047 -0.00124 -0.00079 121 4YZ 0.00045 -0.00028 0.00108 0.00019 -0.00027 122 16 H 1S 0.00110 -0.00170 -0.00124 0.01426 -0.00070 123 2S 0.00626 -0.00757 -0.00091 0.01826 0.00230 124 17 C 1S -0.00276 -0.00037 -0.00220 0.00257 -0.00447 125 2S 0.00839 -0.00113 0.01169 -0.00752 0.00431 126 2PX 0.01448 0.00146 0.01973 -0.01143 0.01163 127 2PY 0.00284 0.00184 0.00128 0.00181 0.00524 128 2PZ 0.01388 -0.00171 0.01867 -0.00098 -0.00417 129 3S 0.00168 0.00818 -0.01867 0.00812 0.00074 130 3PX 0.02394 0.00040 0.03179 -0.00621 0.01150 131 3PY 0.00751 -0.00135 0.02069 -0.01295 0.00525 132 3PZ 0.00778 0.00014 0.00121 0.00611 0.00037 133 4XX -0.00092 -0.00003 -0.00036 0.00265 -0.00163 134 4YY 0.00017 -0.00039 0.00087 -0.00173 0.00055 135 4ZZ -0.00050 -0.00047 -0.00155 0.00033 0.00056 136 4XY 0.00007 -0.00037 -0.00067 0.00252 0.00074 137 4XZ -0.00114 0.00007 -0.00210 0.00128 -0.00019 138 4YZ 0.00049 -0.00025 -0.00104 0.00140 0.00029 139 18 H 1S -0.00161 0.00109 -0.00105 -0.00625 0.00654 140 2S -0.00508 -0.00096 -0.00807 -0.00086 0.00370 141 19 O 1S 0.00001 0.00021 0.00074 -0.00139 -0.00066 142 2S -0.00059 -0.00148 -0.00001 0.00520 0.00116 143 2PX 0.00209 0.00087 -0.00994 0.02586 0.00457 144 2PY 0.00350 0.00314 0.00005 -0.00371 0.01138 145 2PZ -0.00418 -0.00131 -0.00780 0.01648 -0.00981 146 3S 0.00132 0.00367 -0.01231 0.00764 0.00273 147 3PX 0.00212 0.00075 -0.01199 0.02374 0.00319 148 3PY 0.00402 0.00360 -0.00175 -0.00327 0.00885 149 3PZ -0.00349 -0.00253 -0.00682 0.01707 -0.00547 150 4XX -0.00086 -0.00007 0.00102 -0.00093 -0.00070 151 4YY 0.00015 -0.00010 0.00069 -0.00005 0.00042 152 4ZZ 0.00014 -0.00042 -0.00005 0.00064 0.00017 153 4XY 0.00016 -0.00007 -0.00049 0.00066 0.00030 154 4XZ -0.00017 0.00007 0.00004 -0.00026 -0.00021 155 4YZ 0.00007 -0.00019 0.00002 0.00011 -0.00039 156 20 O 1S -0.00447 0.00124 -0.00164 0.00838 -0.00231 157 2S 0.00960 -0.00339 0.00098 -0.01857 0.00415 158 2PX 0.01821 -0.00614 0.00591 -0.01243 0.01345 159 2PY 0.00503 -0.00450 -0.00075 -0.03109 0.01806 160 2PZ 0.02212 -0.00843 -0.00285 -0.02058 0.03044 161 3S 0.02701 -0.00436 0.01800 -0.02751 0.01420 162 3PX 0.01209 -0.00447 0.00652 -0.00869 0.01046 163 3PY -0.00200 -0.00333 -0.00534 -0.01880 0.00956 164 3PZ 0.01267 -0.00583 -0.00688 -0.01340 0.01985 165 4XX 0.00019 -0.00039 0.00000 -0.00045 0.00034 166 4YY 0.00023 0.00003 -0.00064 0.00149 -0.00081 167 4ZZ -0.00143 0.00011 -0.00159 -0.00029 -0.00048 168 4XY -0.00077 0.00045 -0.00066 0.00034 -0.00029 169 4XZ -0.00179 0.00033 -0.00045 0.00070 -0.00073 170 4YZ -0.00146 0.00046 0.00005 0.00141 -0.00148 171 21 C 1S -0.00329 0.00005 0.00042 0.00215 -0.00093 172 2S 0.00906 0.00032 -0.00083 -0.00211 0.00274 173 2PX 0.00785 0.00097 -0.00237 -0.00321 0.00252 174 2PY 0.00183 0.00006 -0.00245 0.00571 0.00021 175 2PZ 0.01832 -0.00432 -0.00496 -0.01752 0.00967 176 3S 0.01117 -0.00019 -0.00240 -0.00294 0.00370 177 3PX -0.00735 -0.00476 -0.00092 0.00224 -0.00300 178 3PY -0.00497 0.00071 -0.00066 0.00042 0.00014 179 3PZ 0.01918 -0.00414 -0.00711 -0.00571 0.01056 180 4XX -0.00064 -0.00036 0.00001 0.00118 0.00002 181 4YY -0.00022 -0.00026 -0.00012 -0.00037 0.00006 182 4ZZ 0.00038 0.00035 -0.00005 -0.00069 -0.00030 183 4XY 0.00009 -0.00014 0.00029 -0.00087 0.00002 184 4XZ -0.00050 0.00006 -0.00002 -0.00079 -0.00006 185 4YZ 0.00027 -0.00019 0.00046 -0.00189 0.00109 186 22 H 1S -0.00372 -0.00104 0.00045 0.00560 -0.00050 187 2S -0.00933 -0.00522 -0.00187 0.00917 -0.00121 188 23 H 1S 0.00803 0.00102 -0.00059 -0.01213 0.00231 189 2S -0.01068 0.00202 0.00673 -0.00947 -0.00805 76 77 78 79 80 76 3PY 0.08588 77 3PZ 0.00766 0.09075 78 4XX 0.00455 0.00530 0.00113 79 4YY -0.00601 -0.00087 -0.00033 0.00121 80 4ZZ 0.00319 -0.00238 -0.00017 -0.00033 0.00105 81 4XY 0.00005 -0.00023 -0.00040 0.00003 0.00038 82 4XZ 0.00025 0.00507 -0.00023 -0.00007 0.00033 83 4YZ 0.00090 0.00612 0.00042 -0.00025 -0.00018 84 10 H 1S 0.04175 0.08294 0.00244 -0.00577 0.00363 85 2S 0.03395 0.07120 0.00132 -0.00435 0.00445 86 11 H 1S 0.04135 0.03922 0.01149 -0.00487 -0.00662 87 2S 0.02995 0.02572 0.01043 -0.00283 -0.00646 88 12 C 1S 0.01397 0.00322 0.00206 -0.00683 0.00208 89 2S -0.04158 -0.00966 -0.00506 0.01180 -0.00477 90 2PX 0.00017 0.00076 0.00024 0.00036 -0.00063 91 2PY -0.14639 0.00196 -0.00708 0.00827 -0.00813 92 2PZ -0.01490 -0.00678 0.00043 0.00048 0.00080 93 3S -0.03363 -0.00817 -0.00421 0.01297 -0.00656 94 3PX 0.00181 0.00278 0.00048 0.00017 -0.00073 95 3PY -0.06475 0.00902 -0.00296 0.00461 -0.00445 96 3PZ -0.00910 -0.00863 -0.00045 0.00073 0.00071 97 4XX 0.00296 -0.00045 0.00013 -0.00014 0.00028 98 4YY -0.00462 0.00071 -0.00014 -0.00006 -0.00018 99 4ZZ 0.00444 0.00073 0.00028 -0.00018 0.00010 100 4XY 0.00021 -0.00025 -0.00031 0.00002 0.00028 101 4XZ -0.00052 -0.00016 0.00004 0.00013 -0.00008 102 4YZ 0.00008 0.00526 0.00030 -0.00010 -0.00016 103 13 H 1S 0.01813 -0.00845 -0.00095 0.00175 0.00161 104 2S 0.02465 -0.00580 -0.00070 -0.00149 0.00325 105 14 H 1S 0.01273 -0.01222 0.00038 0.00276 -0.00026 106 2S 0.02123 -0.01139 0.00188 -0.00031 0.00040 107 15 C 1S 0.00085 -0.00127 -0.00017 0.00005 0.00010 108 2S -0.00100 0.00195 0.00043 -0.00014 -0.00005 109 2PX 0.00749 0.01818 0.00142 -0.00112 0.00045 110 2PY -0.00145 0.00014 0.00010 0.00098 -0.00111 111 2PZ 0.01047 0.01479 0.00137 -0.00090 0.00048 112 3S 0.00211 0.02036 0.00139 0.00026 -0.00033 113 3PX 0.00968 0.00944 0.00147 -0.00078 -0.00014 114 3PY -0.00078 0.00151 -0.00037 0.00090 -0.00036 115 3PZ 0.00394 0.01534 0.00129 -0.00035 -0.00008 116 4XX 0.00025 -0.00020 0.00000 0.00006 0.00003 117 4YY -0.00050 0.00046 0.00000 -0.00001 -0.00001 118 4ZZ -0.00008 -0.00077 -0.00004 -0.00001 -0.00004 119 4XY -0.00040 0.00015 -0.00007 -0.00012 0.00024 120 4XZ 0.00020 0.00019 0.00003 0.00006 -0.00008 121 4YZ -0.00075 0.00030 -0.00007 -0.00013 0.00020 122 16 H 1S -0.00473 -0.00307 -0.00050 -0.00037 0.00053 123 2S -0.00674 -0.00339 -0.00091 -0.00020 0.00066 124 17 C 1S -0.00153 -0.00311 -0.00041 0.00002 -0.00071 125 2S -0.00069 0.00601 0.00046 -0.00044 0.00039 126 2PX -0.00820 0.00178 -0.00105 -0.00241 0.00459 127 2PY 0.00236 -0.00101 0.00006 -0.00090 0.00118 128 2PZ -0.00976 0.00685 -0.00134 -0.00246 0.00366 129 3S 0.00025 -0.00597 0.00010 -0.00193 0.00176 130 3PX -0.00630 0.01040 -0.00074 -0.00187 0.00343 131 3PY -0.00021 0.00828 0.00012 -0.00015 0.00075 132 3PZ -0.00480 -0.00123 -0.00114 -0.00175 0.00268 133 4XX 0.00103 0.00221 -0.00015 -0.00006 0.00024 134 4YY -0.00030 -0.00003 0.00004 0.00009 -0.00008 135 4ZZ -0.00096 -0.00251 0.00005 0.00005 -0.00017 136 4XY -0.00040 -0.00078 -0.00009 0.00006 0.00003 137 4XZ 0.00011 -0.00054 -0.00012 -0.00001 0.00016 138 4YZ -0.00086 -0.00120 -0.00013 0.00004 0.00000 139 18 H 1S 0.00366 -0.00274 0.00098 0.00039 -0.00090 140 2S 0.00288 -0.00762 0.00068 0.00065 -0.00135 141 19 O 1S 0.00031 0.00119 0.00004 -0.00004 -0.00007 142 2S -0.00169 -0.00312 -0.00018 -0.00001 0.00014 143 2PX 0.00795 -0.00209 -0.00035 -0.00056 -0.00002 144 2PY 0.00147 -0.00665 -0.00002 -0.00024 0.00066 145 2PZ 0.00788 0.00187 -0.00015 -0.00030 -0.00126 146 3S 0.00056 -0.01042 -0.00035 0.00020 -0.00016 147 3PX 0.00613 -0.00365 -0.00055 -0.00032 0.00000 148 3PY 0.00121 -0.00585 0.00000 -0.00020 0.00047 149 3PZ 0.00420 -0.00024 -0.00026 -0.00007 -0.00093 150 4XX 0.00017 0.00061 0.00007 -0.00005 -0.00002 151 4YY -0.00011 0.00010 0.00001 -0.00003 0.00003 152 4ZZ -0.00045 0.00006 -0.00005 0.00001 0.00004 153 4XY 0.00028 -0.00015 -0.00001 -0.00001 -0.00001 154 4XZ 0.00025 0.00019 0.00001 0.00001 -0.00001 155 4YZ 0.00016 0.00026 0.00000 -0.00005 0.00000 156 20 O 1S 0.00264 0.00095 0.00014 -0.00007 0.00013 157 2S -0.00503 -0.00117 -0.00029 0.00012 -0.00040 158 2PX -0.01905 -0.02779 0.00092 0.00022 -0.00224 159 2PY -0.00888 -0.01358 -0.00024 0.00054 0.00010 160 2PZ -0.03005 -0.04829 0.00025 0.00078 -0.00181 161 3S -0.00733 0.00316 -0.00059 0.00044 -0.00016 162 3PX -0.01349 -0.01963 0.00078 0.00045 -0.00192 163 3PY -0.00607 -0.01096 -0.00013 0.00037 -0.00007 164 3PZ -0.02004 -0.03607 0.00032 0.00083 -0.00189 165 4XX -0.00079 -0.00089 -0.00003 -0.00008 0.00010 166 4YY 0.00050 0.00054 -0.00002 -0.00001 0.00000 167 4ZZ 0.00048 -0.00017 0.00005 0.00006 -0.00010 168 4XY 0.00084 0.00070 -0.00005 -0.00001 0.00010 169 4XZ -0.00009 -0.00054 0.00002 -0.00002 -0.00001 170 4YZ 0.00138 0.00194 0.00000 0.00001 0.00001 171 21 C 1S 0.00061 -0.00086 -0.00002 0.00007 -0.00007 172 2S -0.00100 0.00003 -0.00013 -0.00026 0.00031 173 2PX -0.00027 0.00163 0.00008 -0.00029 0.00045 174 2PY -0.00102 -0.00025 -0.00010 0.00006 0.00004 175 2PZ -0.00547 0.00069 -0.00011 0.00016 0.00025 176 3S -0.00052 0.00039 -0.00031 -0.00036 0.00070 177 3PX -0.00296 -0.00093 0.00023 0.00004 -0.00033 178 3PY -0.00060 -0.00170 0.00022 0.00001 -0.00011 179 3PZ -0.00458 -0.00646 -0.00043 0.00024 -0.00014 180 4XX -0.00041 -0.00132 0.00004 0.00000 -0.00014 181 4YY -0.00036 -0.00059 -0.00002 0.00003 -0.00003 182 4ZZ 0.00068 0.00184 -0.00001 -0.00002 0.00014 183 4XY -0.00095 -0.00079 0.00006 0.00003 -0.00009 184 4XZ -0.00017 -0.00014 0.00002 0.00000 -0.00001 185 4YZ -0.00100 -0.00153 0.00005 0.00004 -0.00005 186 22 H 1S -0.00113 -0.00515 0.00001 0.00012 -0.00060 187 2S -0.00426 -0.01010 0.00014 0.00038 -0.00132 188 23 H 1S -0.00034 0.00659 0.00011 -0.00020 0.00062 189 2S 0.00286 0.01559 0.00053 -0.00023 0.00073 81 82 83 84 85 81 4XY 0.00095 82 4XZ 0.00054 0.00130 83 4YZ -0.00004 0.00042 0.00091 84 10 H 1S 0.00695 0.01313 0.00749 0.21529 85 2S 0.00698 0.01253 0.00650 0.17307 0.15892 86 11 H 1S -0.01022 -0.00744 0.00361 -0.02500 -0.05204 87 2S -0.00915 -0.00858 0.00245 -0.05356 -0.06139 88 12 C 1S 0.00001 0.00011 0.00031 0.00840 0.01009 89 2S -0.00002 -0.00018 -0.00028 -0.02008 -0.02084 90 2PX -0.01155 -0.00065 -0.00043 -0.01885 -0.03503 91 2PY -0.00034 0.00060 0.00010 -0.02734 -0.05261 92 2PZ -0.00029 -0.00059 -0.01048 -0.01616 -0.02231 93 3S 0.00016 -0.00163 -0.00037 -0.03333 -0.03226 94 3PX -0.00535 -0.00063 -0.00012 -0.00936 -0.01823 95 3PY 0.00020 0.00052 0.00010 -0.01271 -0.02121 96 3PZ 0.00024 -0.00015 -0.00526 -0.01227 -0.01143 97 4XX 0.00031 0.00004 -0.00030 0.00039 0.00189 98 4YY -0.00002 0.00013 0.00010 0.00275 -0.00032 99 4ZZ -0.00028 -0.00008 0.00016 -0.00025 0.00040 100 4XY 0.00089 0.00042 0.00003 0.00568 0.00581 101 4XZ -0.00042 -0.00011 -0.00036 -0.00207 -0.00284 102 4YZ 0.00003 0.00036 0.00065 0.00549 0.00499 103 13 H 1S 0.00761 0.00093 -0.00178 0.01704 0.03052 104 2S 0.00741 0.00200 -0.00143 0.03249 0.04135 105 14 H 1S -0.00567 -0.00208 -0.00549 -0.03157 -0.03521 106 2S -0.00579 -0.00285 -0.00500 -0.03522 -0.03752 107 15 C 1S -0.00010 -0.00018 -0.00019 -0.00124 -0.00320 108 2S -0.00003 0.00024 -0.00007 0.00103 0.00339 109 2PX -0.00026 0.00165 0.00050 0.00605 0.02199 110 2PY 0.00047 -0.00062 -0.00021 -0.00207 -0.00743 111 2PZ -0.00017 0.00134 0.00023 0.00384 0.01343 112 3S 0.00040 0.00187 0.00164 0.01568 0.02779 113 3PX -0.00081 0.00006 -0.00037 -0.00286 0.00369 114 3PY 0.00055 0.00044 0.00061 0.00665 0.00428 115 3PZ 0.00005 0.00093 0.00080 0.00498 0.01382 116 4XX 0.00005 -0.00004 0.00002 -0.00012 0.00001 117 4YY 0.00002 0.00006 -0.00002 0.00032 0.00033 118 4ZZ -0.00004 -0.00009 -0.00001 -0.00055 -0.00110 119 4XY 0.00000 0.00029 0.00005 0.00128 0.00256 120 4XZ 0.00003 -0.00008 0.00005 -0.00051 -0.00035 121 4YZ 0.00001 0.00030 0.00005 0.00126 0.00282 122 16 H 1S -0.00014 0.00044 0.00009 0.00247 0.00446 123 2S 0.00005 0.00083 0.00029 0.00465 0.00590 124 17 C 1S -0.00011 -0.00081 -0.00005 -0.00263 -0.00283 125 2S 0.00043 0.00162 0.00026 0.00806 0.01143 126 2PX 0.00025 0.00572 0.00064 0.02531 0.05157 127 2PY -0.00006 0.00109 0.00023 0.00455 0.00979 128 2PZ 0.00017 0.00603 0.00063 0.02412 0.05074 129 3S 0.00004 0.00101 -0.00124 -0.00334 0.00322 130 3PX 0.00085 0.00534 0.00131 0.03166 0.05087 131 3PY 0.00052 0.00189 0.00081 0.01294 0.02065 132 3PZ 0.00002 0.00365 -0.00022 0.01167 0.02777 133 4XX -0.00009 0.00014 0.00005 0.00042 0.00044 134 4YY 0.00002 -0.00004 -0.00002 -0.00006 -0.00015 135 4ZZ 0.00000 -0.00017 -0.00005 -0.00122 -0.00139 136 4XY 0.00001 -0.00001 -0.00004 -0.00009 -0.00070 137 4XZ -0.00005 -0.00002 -0.00003 -0.00067 -0.00052 138 4YZ 0.00000 0.00001 -0.00004 -0.00002 -0.00017 139 18 H 1S 0.00011 -0.00130 -0.00010 -0.00512 -0.01067 140 2S -0.00020 -0.00176 -0.00041 -0.00981 -0.01722 141 19 O 1S 0.00020 0.00011 0.00014 0.00058 0.00121 142 2S -0.00047 -0.00016 -0.00015 -0.00069 -0.00104 143 2PX -0.00080 -0.00059 -0.00081 -0.00313 -0.01766 144 2PY 0.00022 0.00033 0.00016 0.00275 0.00417 145 2PZ -0.00112 -0.00133 -0.00077 -0.00693 -0.02059 146 3S -0.00093 -0.00111 -0.00109 -0.00619 -0.01249 147 3PX -0.00060 -0.00060 -0.00079 -0.00336 -0.01547 148 3PY 0.00006 0.00009 -0.00008 0.00131 0.00145 149 3PZ -0.00079 -0.00110 -0.00050 -0.00539 -0.01641 150 4XX -0.00004 0.00003 0.00003 0.00001 0.00042 151 4YY 0.00000 0.00006 0.00005 0.00039 0.00062 152 4ZZ 0.00004 0.00004 0.00005 0.00029 0.00048 153 4XY -0.00002 -0.00002 -0.00005 -0.00021 -0.00079 154 4XZ 0.00005 -0.00001 0.00001 0.00001 0.00008 155 4YZ -0.00005 0.00002 -0.00001 0.00001 -0.00007 156 20 O 1S -0.00014 -0.00013 -0.00001 -0.00177 -0.00269 157 2S 0.00034 0.00031 -0.00010 0.00218 0.00416 158 2PX 0.00076 0.00009 -0.00011 0.00117 0.00434 159 2PY 0.00014 -0.00041 -0.00023 -0.00040 0.00206 160 2PZ 0.00109 -0.00039 -0.00069 -0.00143 0.00444 161 3S 0.00080 0.00116 0.00073 0.01642 0.01704 162 3PX 0.00051 -0.00034 0.00011 0.00081 0.00080 163 3PY -0.00004 -0.00063 -0.00034 -0.00445 -0.00283 164 3PZ 0.00072 -0.00109 -0.00072 -0.00560 -0.00443 165 4XX 0.00001 0.00016 -0.00002 0.00021 0.00130 166 4YY 0.00003 0.00000 -0.00004 -0.00032 -0.00042 167 4ZZ -0.00003 -0.00024 -0.00005 -0.00157 -0.00218 168 4XY -0.00004 -0.00003 -0.00002 -0.00023 -0.00037 169 4XZ -0.00007 -0.00005 -0.00001 -0.00065 -0.00047 170 4YZ -0.00006 -0.00007 0.00002 -0.00028 -0.00097 171 21 C 1S -0.00013 -0.00031 -0.00004 -0.00112 -0.00173 172 2S 0.00022 0.00060 0.00002 0.00309 0.00488 173 2PX 0.00040 0.00058 0.00003 0.00253 0.00484 174 2PY 0.00023 0.00013 -0.00015 -0.00028 -0.00067 175 2PZ 0.00061 0.00055 -0.00015 0.00309 0.00345 176 3S 0.00022 0.00098 0.00006 0.00385 0.00721 177 3PX 0.00002 -0.00021 0.00000 -0.00343 -0.00265 178 3PY -0.00030 -0.00028 -0.00003 -0.00247 -0.00302 179 3PZ 0.00032 0.00007 -0.00027 0.00142 -0.00121 180 4XX -0.00004 -0.00008 -0.00003 -0.00055 -0.00102 181 4YY -0.00002 -0.00005 -0.00002 -0.00024 -0.00017 182 4ZZ 0.00004 0.00010 0.00005 0.00047 0.00083 183 4XY 0.00003 -0.00001 0.00001 -0.00017 0.00030 184 4XZ 0.00000 -0.00002 0.00000 -0.00018 0.00000 185 4YZ 0.00003 -0.00002 0.00002 -0.00005 0.00052 186 22 H 1S -0.00026 -0.00048 -0.00011 -0.00241 -0.00501 187 2S -0.00035 -0.00118 -0.00027 -0.00705 -0.01207 188 23 H 1S 0.00045 0.00073 0.00012 0.00356 0.00648 189 2S 0.00022 0.00062 0.00042 0.00219 0.00729 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.16993 0.16626 88 12 C 1S 0.00761 0.00793 2.05092 89 2S -0.02000 -0.01756 -0.05341 0.30682 90 2PX 0.02272 0.04405 0.00090 -0.00095 0.41186 91 2PY -0.02938 -0.05180 0.00199 -0.00122 0.00500 92 2PZ -0.00281 -0.00229 -0.00338 0.00249 0.00314 93 3S -0.01943 -0.00384 -0.18586 0.27975 0.00648 94 3PX 0.01472 0.02326 0.00226 -0.00386 0.18596 95 3PY -0.01810 -0.02462 -0.00043 -0.00254 -0.00074 96 3PZ -0.00846 -0.00583 -0.00163 0.00937 -0.00746 97 4XX -0.00095 -0.00070 -0.01787 0.00019 -0.01073 98 4YY 0.00174 -0.00150 -0.01551 -0.00513 -0.00057 99 4ZZ 0.00162 0.00326 -0.01630 -0.00351 0.01055 100 4XY -0.00762 -0.00741 -0.00056 0.00106 -0.01583 101 4XZ 0.00091 0.00197 -0.00050 0.00110 0.01491 102 4YZ 0.00178 0.00143 0.00140 -0.00269 0.00003 103 13 H 1S -0.02780 -0.03451 -0.05306 0.10305 -0.24407 104 2S -0.03452 -0.04556 -0.00470 0.02008 -0.21325 105 14 H 1S 0.01698 0.03240 -0.05286 0.10195 0.18014 106 2S 0.03044 0.04125 -0.00701 0.02105 0.16485 107 15 C 1S 0.00008 -0.00157 -0.00159 0.00236 -0.00275 108 2S 0.00018 0.00339 0.00231 -0.00723 0.00838 109 2PX 0.00265 -0.00522 0.00600 -0.01598 0.01450 110 2PY -0.00031 0.00814 -0.00138 0.00411 -0.00285 111 2PZ 0.00232 -0.00184 0.00521 -0.01805 0.01390 112 3S 0.00045 0.00730 0.00605 -0.00121 0.00164 113 3PX 0.00975 0.00641 0.00469 -0.01724 0.02393 114 3PY -0.00533 0.00231 -0.00098 0.01047 -0.00747 115 3PZ 0.00139 0.00016 0.00664 -0.00696 0.00780 116 4XX 0.00007 0.00073 -0.00063 0.00056 -0.00092 117 4YY -0.00030 -0.00071 0.00003 -0.00028 0.00017 118 4ZZ 0.00031 0.00002 -0.00062 0.00050 -0.00050 119 4XY -0.00088 -0.00118 0.00037 -0.00055 -0.00007 120 4XZ 0.00045 0.00037 -0.00065 0.00101 -0.00114 121 4YZ -0.00090 -0.00185 0.00023 -0.00046 -0.00049 122 16 H 1S -0.00256 -0.00621 0.00046 0.00108 -0.00160 123 2S -0.00697 -0.01088 0.00048 0.00572 -0.00503 124 17 C 1S 0.00211 0.00286 -0.00135 0.00331 -0.00010 125 2S -0.00547 -0.00626 0.00251 -0.00447 0.00035 126 2PX -0.01756 -0.01626 0.00748 -0.01642 -0.00553 127 2PY -0.00281 -0.00549 0.00026 -0.00223 -0.00294 128 2PZ -0.01901 -0.03802 0.00675 -0.01382 -0.00339 129 3S -0.00478 -0.01424 0.00525 -0.02181 0.00049 130 3PX -0.02012 -0.02383 0.00500 -0.00780 -0.01194 131 3PY -0.00649 -0.00530 0.00097 0.00161 -0.00918 132 3PZ -0.01301 -0.02551 0.00472 -0.01514 -0.00207 133 4XX -0.00031 -0.00458 0.00003 0.00002 0.00010 134 4YY 0.00002 0.00153 -0.00008 0.00002 0.00039 135 4ZZ 0.00078 0.00304 -0.00049 0.00104 -0.00049 136 4XY -0.00020 -0.00010 -0.00020 0.00069 -0.00069 137 4XZ 0.00019 -0.00038 0.00000 0.00019 -0.00064 138 4YZ -0.00044 0.00012 -0.00011 0.00086 -0.00045 139 18 H 1S 0.00508 0.01534 -0.00132 0.00099 0.00111 140 2S 0.00722 0.01716 -0.00232 0.00126 0.00626 141 19 O 1S -0.00029 -0.00186 -0.00056 0.00099 -0.00448 142 2S 0.00059 0.00405 0.00228 -0.00252 0.00962 143 2PX 0.00034 -0.00768 0.00380 -0.01216 0.01822 144 2PY -0.00239 0.00836 -0.00114 -0.00117 -0.00507 145 2PZ 0.00405 -0.00691 0.00312 -0.00877 0.02212 146 3S 0.00245 0.01127 -0.00116 -0.00489 0.02702 147 3PX -0.00061 -0.00769 0.00097 -0.00699 0.01209 148 3PY -0.00185 0.00727 -0.00086 -0.00247 0.00198 149 3PZ 0.00295 -0.00401 0.00116 -0.00346 0.01267 150 4XX 0.00050 0.00018 0.00046 -0.00072 0.00019 151 4YY -0.00015 0.00006 0.00040 -0.00041 0.00023 152 4ZZ -0.00026 -0.00050 0.00021 0.00056 -0.00142 153 4XY -0.00004 -0.00018 0.00008 -0.00060 0.00078 154 4XZ 0.00001 -0.00031 -0.00030 0.00048 -0.00179 155 4YZ -0.00004 -0.00058 0.00031 -0.00067 0.00146 156 20 O 1S 0.00247 -0.00390 0.00035 -0.00090 0.00001 157 2S -0.00571 0.00520 -0.00037 0.00121 -0.00059 158 2PX -0.00294 0.03403 -0.00403 0.00893 0.00209 159 2PY -0.00146 0.03717 -0.00107 0.00202 -0.00350 160 2PZ -0.00482 0.06462 -0.00486 0.01104 -0.00419 161 3S -0.01332 0.00936 -0.00302 0.00783 0.00136 162 3PX 0.00014 0.02977 -0.00390 0.00955 0.00213 163 3PY 0.00175 0.02627 -0.00036 0.00117 -0.00403 164 3PZ -0.00081 0.04875 -0.00478 0.00935 -0.00350 165 4XX -0.00054 0.00006 0.00039 -0.00038 -0.00086 166 4YY -0.00055 -0.00276 0.00020 -0.00039 0.00015 167 4ZZ 0.00098 0.00098 0.00013 0.00006 0.00014 168 4XY 0.00014 -0.00087 0.00012 -0.00032 -0.00017 169 4XZ 0.00117 0.00114 0.00004 -0.00003 -0.00017 170 4YZ 0.00064 -0.00221 0.00012 -0.00006 -0.00007 171 21 C 1S 0.00189 0.00272 -0.00065 0.00136 -0.00329 172 2S -0.00551 -0.00660 0.00156 -0.00372 0.00906 173 2PX -0.00398 -0.00748 0.00189 -0.00416 0.00785 174 2PY -0.00119 -0.00478 0.00001 0.00041 -0.00187 175 2PZ -0.00843 -0.00091 0.00280 -0.00422 0.01833 176 3S -0.00813 -0.01071 0.00356 -0.00478 0.01117 177 3PX 0.00445 0.00292 -0.00052 0.00168 -0.00736 178 3PY 0.00432 0.00729 0.00086 -0.00110 0.00493 179 3PZ -0.00991 0.00070 0.00190 -0.00206 0.01919 180 4XX 0.00060 0.00160 -0.00032 0.00025 -0.00064 181 4YY 0.00010 0.00112 -0.00006 0.00027 -0.00022 182 4ZZ -0.00049 -0.00256 0.00026 -0.00041 0.00038 183 4XY 0.00027 0.00147 -0.00015 0.00060 -0.00009 184 4XZ 0.00039 0.00094 -0.00001 0.00004 -0.00050 185 4YZ 0.00016 0.00314 -0.00031 0.00062 -0.00027 186 22 H 1S 0.00266 0.00726 -0.00148 0.00242 -0.00373 187 2S 0.00702 0.01617 -0.00290 0.00563 -0.00933 188 23 H 1S -0.00401 -0.00757 0.00270 -0.00472 0.00804 189 2S 0.00597 -0.00842 -0.00011 -0.00130 -0.01067 91 92 93 94 95 91 2PY 0.38125 92 2PZ -0.00574 0.38896 93 3S 0.00795 -0.02478 0.30206 94 3PX 0.00357 -0.00070 0.00137 0.08586 95 3PY 0.17353 -0.00967 0.00728 0.00188 0.08589 96 3PZ -0.00609 0.17987 -0.00697 -0.00655 -0.00766 97 4XX -0.01030 0.01113 -0.00036 -0.00492 -0.00456 98 4YY 0.01508 -0.00100 -0.00513 -0.00020 0.00601 99 4ZZ -0.00819 -0.00581 -0.00015 0.00478 -0.00318 100 4XY -0.00030 -0.00040 0.00118 -0.00725 0.00004 101 4XZ 0.00053 0.01189 0.00236 0.00663 -0.00026 102 4YZ 0.00072 -0.01283 -0.00251 0.00016 0.00093 103 13 H 1S -0.09295 0.06729 0.08094 -0.11189 -0.04146 104 2S -0.07592 0.05556 -0.00682 -0.09434 -0.03003 105 14 H 1S -0.08056 0.17923 0.09108 0.07903 -0.04184 106 2S -0.06632 0.15937 0.01903 0.07318 -0.03404 107 15 C 1S 0.00037 -0.00218 0.00253 -0.00446 0.00152 108 2S 0.00111 0.01165 -0.00744 0.00430 0.00070 109 2PX -0.00149 0.01966 -0.01128 0.01169 0.00825 110 2PY 0.00184 -0.00130 -0.00166 -0.00523 0.00238 111 2PZ 0.00167 0.01862 -0.00079 -0.00413 0.00977 112 3S -0.00808 -0.01877 0.00830 0.00073 -0.00019 113 3PX -0.00044 0.03169 -0.00607 0.01151 0.00631 114 3PY -0.00127 -0.02060 0.01293 -0.00523 -0.00019 115 3PZ -0.00013 0.00118 0.00628 0.00039 0.00483 116 4XX 0.00003 -0.00036 0.00264 -0.00163 -0.00104 117 4YY 0.00039 0.00086 -0.00172 0.00055 0.00030 118 4ZZ 0.00048 -0.00154 0.00030 0.00056 0.00096 119 4XY -0.00037 0.00068 -0.00251 -0.00074 -0.00040 120 4XZ -0.00007 -0.00209 0.00127 -0.00019 -0.00011 121 4YZ -0.00025 0.00104 -0.00140 -0.00029 -0.00086 122 16 H 1S -0.00108 -0.00101 -0.00633 0.00653 -0.00366 123 2S 0.00100 -0.00796 -0.00095 0.00371 -0.00287 124 17 C 1S 0.00132 -0.00447 0.00485 0.00199 -0.00085 125 2S -0.00183 0.00621 -0.00902 -0.00102 0.00100 126 2PX -0.00839 0.02312 -0.04182 -0.01621 -0.00753 127 2PY -0.00296 -0.00044 0.00880 -0.00246 -0.00147 128 2PZ -0.00673 0.01776 -0.03602 -0.00598 -0.01048 129 3S -0.00389 0.04387 -0.04196 -0.00320 -0.00217 130 3PX -0.01245 0.01013 -0.02832 -0.01260 -0.00970 131 3PY -0.00416 -0.00925 0.00538 -0.00701 -0.00077 132 3PZ -0.00051 0.02301 -0.03129 -0.00618 -0.00396 133 4XX -0.00020 -0.00037 -0.00109 0.00048 -0.00025 134 4YY 0.00053 0.00052 0.00032 -0.00016 0.00051 135 4ZZ 0.00051 -0.00123 0.00203 -0.00013 0.00008 136 4XY -0.00008 -0.00080 0.00000 -0.00060 -0.00040 137 4XZ -0.00001 -0.00047 -0.00124 -0.00079 -0.00020 138 4YZ -0.00028 -0.00108 -0.00021 0.00027 -0.00075 139 18 H 1S 0.00171 -0.00124 0.01423 -0.00070 0.00473 140 2S 0.00757 -0.00090 0.01822 0.00230 0.00673 141 19 O 1S -0.00124 -0.00165 0.00837 -0.00231 -0.00265 142 2S 0.00340 0.00099 -0.01854 0.00416 0.00504 143 2PX 0.00615 0.00593 -0.01258 0.01346 0.01908 144 2PY -0.00452 0.00074 0.03109 -0.01813 -0.00899 145 2PZ 0.00846 -0.00279 -0.02068 0.03042 0.03012 146 3S 0.00434 0.01800 -0.02748 0.01421 0.00735 147 3PX 0.00447 0.00653 -0.00882 0.01046 0.01351 148 3PY -0.00336 0.00534 0.01880 -0.00960 -0.00615 149 3PZ 0.00585 -0.00683 -0.01349 0.01983 0.02009 150 4XX 0.00039 0.00000 -0.00045 0.00034 0.00079 151 4YY -0.00003 -0.00064 0.00149 -0.00081 -0.00051 152 4ZZ -0.00010 -0.00159 -0.00030 -0.00048 -0.00047 153 4XY 0.00045 0.00066 -0.00034 0.00029 0.00084 154 4XZ -0.00033 -0.00045 0.00070 -0.00073 0.00010 155 4YZ 0.00046 -0.00005 -0.00142 0.00148 0.00139 156 20 O 1S -0.00021 0.00074 -0.00140 -0.00066 -0.00032 157 2S 0.00149 -0.00001 0.00521 0.00117 0.00171 158 2PX -0.00084 -0.00991 0.02568 0.00457 -0.00796 159 2PY 0.00314 -0.00003 0.00377 -0.01137 0.00147 160 2PZ 0.00134 -0.00774 0.01636 -0.00985 -0.00791 161 3S -0.00363 -0.01228 0.00765 0.00275 -0.00053 162 3PX -0.00072 -0.01195 0.02358 0.00319 -0.00614 163 3PY 0.00358 0.00176 0.00329 -0.00885 0.00120 164 3PZ 0.00255 -0.00677 0.01696 -0.00550 -0.00421 165 4XX 0.00006 0.00102 -0.00092 -0.00070 -0.00017 166 4YY 0.00010 0.00069 -0.00005 0.00042 0.00011 167 4ZZ 0.00042 -0.00005 0.00063 0.00017 0.00045 168 4XY -0.00007 0.00049 -0.00065 -0.00030 0.00028 169 4XZ -0.00007 0.00004 -0.00026 -0.00021 -0.00025 170 4YZ -0.00019 -0.00002 -0.00011 0.00039 0.00016 171 21 C 1S -0.00005 0.00042 0.00214 -0.00092 -0.00061 172 2S -0.00032 -0.00082 -0.00212 0.00274 0.00099 173 2PX -0.00096 -0.00237 -0.00323 0.00253 0.00027 174 2PY 0.00004 0.00246 -0.00567 -0.00022 -0.00102 175 2PZ 0.00433 -0.00494 -0.01748 0.00967 0.00548 176 3S 0.00020 -0.00239 -0.00294 0.00371 0.00052 177 3PX 0.00475 -0.00092 0.00221 -0.00300 0.00295 178 3PY 0.00070 0.00068 -0.00041 -0.00016 -0.00062 179 3PZ 0.00416 -0.00708 -0.00572 0.01055 0.00459 180 4XX 0.00036 0.00001 0.00117 0.00002 0.00041 181 4YY 0.00026 -0.00012 -0.00037 0.00007 0.00036 182 4ZZ -0.00035 -0.00005 -0.00067 -0.00031 -0.00069 183 4XY -0.00014 -0.00029 0.00087 -0.00002 -0.00095 184 4XZ -0.00006 -0.00002 -0.00078 -0.00006 0.00017 185 4YZ -0.00019 -0.00046 0.00190 -0.00109 -0.00100 186 22 H 1S 0.00104 0.00045 0.00556 -0.00050 0.00113 187 2S 0.00523 -0.00186 0.00908 -0.00122 0.00426 188 23 H 1S -0.00102 -0.00060 -0.01207 0.00231 0.00034 189 2S -0.00205 0.00670 -0.00937 -0.00804 -0.00286 96 97 98 99 100 96 3PZ 0.09072 97 4XX 0.00528 0.00113 98 4YY -0.00085 -0.00033 0.00121 99 4ZZ -0.00239 -0.00017 -0.00033 0.00105 100 4XY 0.00023 0.00040 -0.00003 -0.00038 0.00096 101 4XZ 0.00509 -0.00023 -0.00007 0.00033 -0.00054 102 4YZ -0.00611 -0.00042 0.00025 0.00018 -0.00004 103 13 H 1S 0.03904 0.01149 -0.00485 -0.00664 0.01025 104 2S 0.02557 0.01044 -0.00281 -0.00649 0.00918 105 14 H 1S 0.08297 0.00242 -0.00575 0.00364 -0.00696 106 2S 0.07123 0.00130 -0.00434 0.00446 -0.00699 107 15 C 1S -0.00310 -0.00041 0.00002 -0.00071 0.00011 108 2S 0.00599 0.00046 -0.00043 0.00039 -0.00044 109 2PX 0.00172 -0.00106 -0.00241 0.00460 -0.00026 110 2PY 0.00092 -0.00006 0.00090 -0.00118 -0.00006 111 2PZ 0.00678 -0.00135 -0.00246 0.00367 -0.00018 112 3S -0.00601 0.00009 -0.00192 0.00176 -0.00003 113 3PX 0.01035 -0.00075 -0.00187 0.00344 -0.00086 114 3PY -0.00825 -0.00012 0.00015 -0.00076 0.00052 115 3PZ -0.00124 -0.00115 -0.00175 0.00269 -0.00002 116 4XX 0.00221 -0.00015 -0.00006 0.00024 0.00009 117 4YY -0.00003 0.00004 0.00009 -0.00008 -0.00002 118 4ZZ -0.00249 0.00005 0.00005 -0.00017 0.00000 119 4XY 0.00077 0.00009 -0.00006 -0.00003 0.00001 120 4XZ -0.00054 -0.00012 -0.00001 0.00016 0.00005 121 4YZ 0.00121 0.00013 -0.00004 0.00000 0.00000 122 16 H 1S -0.00267 0.00098 0.00039 -0.00090 -0.00011 123 2S -0.00751 0.00069 0.00064 -0.00134 0.00020 124 17 C 1S -0.00127 -0.00017 0.00005 0.00010 0.00010 125 2S 0.00195 0.00043 -0.00014 -0.00004 0.00004 126 2PX 0.01809 0.00142 -0.00112 0.00045 0.00026 127 2PY -0.00010 -0.00011 -0.00097 0.00111 0.00047 128 2PZ 0.01471 0.00136 -0.00090 0.00048 0.00017 129 3S 0.02031 0.00139 0.00026 -0.00033 -0.00040 130 3PX 0.00939 0.00147 -0.00079 -0.00013 0.00082 131 3PY -0.00151 0.00037 -0.00090 0.00036 0.00056 132 3PZ 0.01526 0.00129 -0.00035 -0.00008 -0.00005 133 4XX -0.00021 0.00000 0.00006 0.00003 -0.00005 134 4YY 0.00046 0.00000 -0.00001 -0.00001 -0.00002 135 4ZZ -0.00077 -0.00004 -0.00001 -0.00004 0.00004 136 4XY -0.00015 0.00007 0.00012 -0.00025 0.00000 137 4XZ 0.00018 0.00003 0.00006 -0.00009 -0.00003 138 4YZ -0.00029 0.00007 0.00013 -0.00020 0.00001 139 18 H 1S -0.00303 -0.00050 -0.00037 0.00053 0.00014 140 2S -0.00337 -0.00091 -0.00020 0.00066 -0.00005 141 19 O 1S 0.00096 0.00014 -0.00007 0.00013 0.00014 142 2S -0.00119 -0.00029 0.00012 -0.00040 -0.00034 143 2PX -0.02772 0.00093 0.00022 -0.00224 -0.00076 144 2PY 0.01368 0.00024 -0.00054 -0.00010 0.00014 145 2PZ -0.04814 0.00025 0.00078 -0.00182 -0.00110 146 3S 0.00311 -0.00059 0.00044 -0.00016 -0.00080 147 3PX -0.01958 0.00078 0.00045 -0.00192 -0.00051 148 3PY 0.01102 0.00013 -0.00037 0.00007 -0.00004 149 3PZ -0.03596 0.00033 0.00083 -0.00189 -0.00072 150 4XX -0.00089 -0.00003 -0.00008 0.00010 -0.00001 151 4YY 0.00055 -0.00002 -0.00001 0.00000 -0.00003 152 4ZZ -0.00017 0.00005 0.00006 -0.00010 0.00003 153 4XY -0.00070 0.00005 0.00001 -0.00010 -0.00004 154 4XZ -0.00054 0.00003 -0.00002 -0.00001 0.00007 155 4YZ -0.00193 0.00000 -0.00001 -0.00001 -0.00006 156 20 O 1S 0.00120 0.00004 -0.00004 -0.00007 -0.00020 157 2S -0.00313 -0.00018 0.00000 0.00014 0.00047 158 2PX -0.00205 -0.00035 -0.00056 -0.00002 0.00080 159 2PY 0.00659 0.00002 0.00024 -0.00066 0.00022 160 2PZ 0.00189 -0.00015 -0.00030 -0.00126 0.00112 161 3S -0.01043 -0.00035 0.00020 -0.00016 0.00093 162 3PX -0.00361 -0.00054 -0.00032 0.00000 0.00060 163 3PY 0.00582 0.00000 0.00020 -0.00047 0.00006 164 3PZ -0.00021 -0.00026 -0.00007 -0.00093 0.00079 165 4XX 0.00061 0.00007 -0.00005 -0.00002 0.00004 166 4YY 0.00010 0.00001 -0.00003 0.00003 0.00000 167 4ZZ 0.00006 -0.00004 0.00001 0.00004 -0.00004 168 4XY 0.00015 0.00001 0.00001 0.00001 -0.00002 169 4XZ 0.00019 0.00001 0.00001 -0.00001 -0.00005 170 4YZ -0.00026 0.00000 0.00005 0.00000 -0.00005 171 21 C 1S -0.00087 -0.00002 0.00007 -0.00007 0.00013 172 2S 0.00006 -0.00013 -0.00026 0.00031 -0.00022 173 2PX 0.00167 0.00008 -0.00029 0.00045 -0.00040 174 2PY 0.00024 0.00010 -0.00006 -0.00004 0.00023 175 2PZ 0.00070 -0.00011 0.00016 0.00026 -0.00062 176 3S 0.00041 -0.00031 -0.00036 0.00070 -0.00022 177 3PX -0.00091 0.00023 0.00004 -0.00034 -0.00002 178 3PY 0.00171 -0.00022 -0.00001 0.00011 -0.00030 179 3PZ -0.00643 -0.00043 0.00024 -0.00014 -0.00032 180 4XX -0.00132 0.00004 0.00000 -0.00014 0.00004 181 4YY -0.00059 -0.00002 0.00003 -0.00003 0.00002 182 4ZZ 0.00184 -0.00001 -0.00002 0.00014 -0.00004 183 4XY 0.00079 -0.00006 -0.00003 0.00009 0.00003 184 4XZ -0.00014 0.00002 0.00000 -0.00001 0.00000 185 4YZ 0.00153 -0.00005 -0.00004 0.00005 0.00003 186 22 H 1S -0.00515 0.00001 0.00012 -0.00060 0.00026 187 2S -0.01008 0.00015 0.00038 -0.00132 0.00035 188 23 H 1S 0.00659 0.00011 -0.00020 0.00062 -0.00045 189 2S 0.01555 0.00053 -0.00022 0.00073 -0.00022 101 102 103 104 105 101 4XZ 0.00130 102 4YZ -0.00042 0.00091 103 13 H 1S -0.00740 -0.00360 0.21593 104 2S -0.00854 -0.00243 0.16994 0.16630 105 14 H 1S 0.01312 -0.00751 -0.02500 -0.05357 0.21529 106 2S 0.01252 -0.00651 -0.05206 -0.06144 0.17309 107 15 C 1S -0.00080 0.00005 0.00210 0.00287 -0.00262 108 2S 0.00161 -0.00026 -0.00547 -0.00626 0.00803 109 2PX 0.00571 -0.00064 -0.01760 -0.01632 0.02530 110 2PY -0.00110 0.00024 0.00283 0.00558 -0.00458 111 2PZ 0.00603 -0.00063 -0.01904 -0.03810 0.02413 112 3S 0.00100 0.00124 -0.00475 -0.01426 -0.00342 113 3PX 0.00534 -0.00131 -0.02016 -0.02393 0.03164 114 3PY -0.00189 0.00081 0.00650 0.00534 -0.01291 115 3PZ 0.00366 0.00021 -0.01304 -0.02563 0.01170 116 4XX 0.00014 -0.00006 -0.00031 -0.00458 0.00042 117 4YY -0.00004 0.00002 0.00002 0.00153 -0.00006 118 4ZZ -0.00017 0.00005 0.00078 0.00305 -0.00121 119 4XY 0.00001 -0.00004 0.00019 0.00009 0.00009 120 4XZ -0.00002 0.00003 0.00020 -0.00037 -0.00066 121 4YZ -0.00001 -0.00004 0.00044 -0.00013 0.00003 122 16 H 1S -0.00130 0.00010 0.00506 0.01531 -0.00510 123 2S -0.00175 0.00041 0.00719 0.01710 -0.00974 124 17 C 1S -0.00018 0.00019 0.00009 -0.00156 -0.00125 125 2S 0.00024 0.00007 0.00016 0.00335 0.00105 126 2PX 0.00165 -0.00050 0.00262 -0.00531 0.00605 127 2PY 0.00062 -0.00022 0.00031 -0.00815 0.00206 128 2PZ 0.00135 -0.00023 0.00230 -0.00191 0.00384 129 3S 0.00188 -0.00163 0.00046 0.00729 0.01568 130 3PX 0.00007 0.00037 0.00972 0.00633 -0.00284 131 3PY -0.00044 0.00061 0.00530 -0.00237 -0.00665 132 3PZ 0.00093 -0.00080 0.00139 0.00012 0.00495 133 4XX -0.00004 -0.00002 0.00008 0.00074 -0.00012 134 4YY 0.00006 0.00002 -0.00031 -0.00072 0.00033 135 4ZZ -0.00010 0.00001 0.00031 0.00003 -0.00055 136 4XY -0.00029 0.00005 0.00088 0.00119 -0.00128 137 4XZ -0.00008 -0.00005 0.00045 0.00037 -0.00051 138 4YZ -0.00030 0.00005 0.00090 0.00185 -0.00126 139 18 H 1S 0.00044 -0.00009 -0.00257 -0.00623 0.00249 140 2S 0.00083 -0.00029 -0.00698 -0.01089 0.00466 141 19 O 1S -0.00013 0.00001 0.00248 -0.00390 -0.00177 142 2S 0.00031 0.00011 -0.00572 0.00520 0.00219 143 2PX 0.00009 0.00011 -0.00292 0.03408 0.00116 144 2PY 0.00041 -0.00024 0.00146 -0.03732 0.00041 145 2PZ -0.00040 0.00069 -0.00478 0.06462 -0.00144 146 3S 0.00116 -0.00073 -0.01335 0.00938 0.01641 147 3PX -0.00035 -0.00011 0.00016 0.02982 0.00080 148 3PY 0.00063 -0.00034 -0.00175 -0.02637 0.00446 149 3PZ -0.00110 0.00072 -0.00078 0.04876 -0.00561 150 4XX 0.00016 0.00002 -0.00054 0.00006 0.00021 151 4YY 0.00000 0.00004 -0.00055 -0.00277 -0.00032 152 4ZZ -0.00024 0.00005 0.00098 0.00099 -0.00157 153 4XY 0.00003 -0.00002 -0.00014 0.00087 0.00023 154 4XZ -0.00005 0.00001 0.00117 0.00114 -0.00065 155 4YZ 0.00007 0.00002 -0.00064 0.00220 0.00028 156 20 O 1S 0.00011 -0.00014 -0.00029 -0.00186 0.00058 157 2S -0.00016 0.00015 0.00059 0.00406 -0.00069 158 2PX -0.00059 0.00081 0.00035 -0.00764 -0.00313 159 2PY -0.00033 0.00016 0.00238 -0.00835 -0.00274 160 2PZ -0.00133 0.00077 0.00407 -0.00689 -0.00692 161 3S -0.00111 0.00109 0.00244 0.01128 -0.00617 162 3PX -0.00059 0.00079 -0.00060 -0.00766 -0.00335 163 3PY -0.00009 -0.00008 0.00185 -0.00726 -0.00131 164 3PZ -0.00109 0.00050 0.00296 -0.00399 -0.00539 165 4XX 0.00003 -0.00003 0.00050 0.00018 0.00001 166 4YY 0.00006 -0.00005 -0.00015 0.00006 0.00039 167 4ZZ 0.00004 -0.00005 -0.00026 -0.00049 0.00029 168 4XY 0.00002 -0.00005 0.00004 0.00018 0.00021 169 4XZ -0.00001 -0.00001 0.00001 -0.00030 0.00001 170 4YZ -0.00002 -0.00001 0.00004 0.00058 -0.00001 171 21 C 1S -0.00031 0.00004 0.00189 0.00272 -0.00112 172 2S 0.00060 -0.00002 -0.00551 -0.00662 0.00309 173 2PX 0.00058 -0.00003 -0.00398 -0.00749 0.00252 174 2PY -0.00013 -0.00015 0.00121 0.00479 0.00028 175 2PZ 0.00055 0.00014 -0.00843 -0.00090 0.00309 176 3S 0.00098 -0.00007 -0.00813 -0.01073 0.00385 177 3PX -0.00021 0.00001 0.00445 0.00291 -0.00343 178 3PY 0.00028 -0.00003 -0.00430 -0.00729 0.00247 179 3PZ 0.00007 0.00027 -0.00992 0.00070 0.00143 180 4XX -0.00008 0.00003 0.00060 0.00161 -0.00055 181 4YY -0.00005 0.00002 0.00010 0.00113 -0.00024 182 4ZZ 0.00010 -0.00005 -0.00050 -0.00257 0.00047 183 4XY 0.00001 0.00001 -0.00027 -0.00147 0.00017 184 4XZ -0.00002 0.00000 0.00039 0.00094 -0.00018 185 4YZ 0.00002 0.00002 -0.00016 -0.00313 0.00005 186 22 H 1S -0.00048 0.00012 0.00266 0.00728 -0.00241 187 2S -0.00118 0.00027 0.00703 0.01621 -0.00705 188 23 H 1S 0.00073 -0.00012 -0.00402 -0.00758 0.00355 189 2S 0.00062 -0.00042 0.00595 -0.00845 0.00220 106 107 108 109 110 106 2S 0.15894 107 15 C 1S -0.00279 2.05255 108 2S 0.01136 -0.06339 0.33290 109 2PX 0.05153 -0.01202 0.01859 0.34624 110 2PY -0.00984 -0.00509 0.01307 -0.04018 0.43068 111 2PZ 0.05073 0.01512 -0.02722 0.02212 0.02895 112 3S 0.00307 -0.17196 0.27240 0.09824 -0.01729 113 3PX 0.05084 -0.01876 0.03662 0.16687 -0.03763 114 3PY -0.02064 -0.00738 0.00401 -0.05109 0.12291 115 3PZ 0.02778 0.00258 -0.01656 0.08141 -0.01251 116 4XX 0.00044 -0.01177 -0.01308 -0.01163 -0.00702 117 4YY -0.00015 -0.01725 -0.00102 0.00621 0.01259 118 4ZZ -0.00138 -0.01571 -0.00410 0.00187 -0.01308 119 4XY 0.00071 0.00020 -0.00034 -0.00115 -0.00496 120 4XZ -0.00051 0.00345 -0.00810 0.01109 0.00918 121 4YZ 0.00017 -0.00424 0.00860 0.01263 -0.00763 122 16 H 1S -0.01064 -0.06821 0.13567 0.06586 -0.16908 123 2S -0.01714 -0.02048 0.04650 0.03969 -0.13835 124 17 C 1S -0.00321 0.01947 -0.04084 -0.01346 -0.08011 125 2S 0.00343 -0.04084 0.07591 0.02576 0.16574 126 2PX 0.02197 -0.01337 0.02558 0.16094 -0.01960 127 2PY 0.00737 0.08017 -0.16587 0.01930 -0.32464 128 2PZ 0.01341 -0.01078 0.01958 0.09936 -0.03431 129 3S 0.02781 0.00179 0.02807 0.06639 0.12932 130 3PX 0.00370 -0.00341 0.00362 0.09437 -0.01950 131 3PY -0.00431 0.00108 -0.01891 0.02429 -0.10081 132 3PZ 0.01377 -0.00659 0.01813 0.06392 -0.03864 133 4XX 0.00000 0.00325 -0.00760 0.00047 -0.01313 134 4YY 0.00034 -0.00653 0.01193 -0.00091 0.00800 135 4ZZ -0.00111 0.00345 -0.00793 -0.00234 -0.01007 136 4XY -0.00256 0.00006 -0.00036 -0.01259 0.00564 137 4XZ -0.00036 -0.00132 0.00307 0.00016 0.00448 138 4YZ -0.00282 -0.00083 0.00174 -0.00512 -0.00033 139 18 H 1S 0.00448 0.01654 -0.03647 -0.00835 -0.04028 140 2S 0.00592 0.02040 -0.04061 -0.02371 -0.06415 141 19 O 1S -0.00270 0.00537 -0.00688 0.02953 0.00844 142 2S 0.00418 -0.00989 0.01075 -0.06594 -0.03102 143 2PX 0.00434 -0.05683 0.12362 -0.16678 -0.10844 144 2PY -0.00208 -0.02553 0.05175 -0.09879 -0.03187 145 2PZ 0.00442 0.03477 -0.06519 0.17838 0.07021 146 3S 0.01707 0.01400 -0.02636 -0.06856 0.04041 147 3PX 0.00079 -0.02659 0.06227 -0.10144 -0.05736 148 3PY 0.00282 -0.01948 0.03883 -0.07150 -0.02516 149 3PZ -0.00444 0.01512 -0.02654 0.08267 0.04079 150 4XX 0.00130 -0.00368 0.00604 0.00642 -0.00824 151 4YY -0.00042 -0.00126 0.00121 -0.00467 -0.00050 152 4ZZ -0.00217 -0.00089 0.00059 -0.00145 -0.00487 153 4XY 0.00037 -0.00464 0.00907 -0.00889 0.00339 154 4XZ -0.00047 0.00489 -0.00779 0.00430 0.00310 155 4YZ 0.00097 0.00277 -0.00505 0.01130 -0.00410 156 20 O 1S 0.00121 -0.00177 0.00495 -0.00445 0.00161 157 2S -0.00103 0.00717 -0.01547 0.01395 -0.01725 158 2PX -0.01763 0.01255 -0.02724 -0.07075 -0.03226 159 2PY -0.00412 -0.02271 0.05460 -0.02748 0.05825 160 2PZ -0.02055 0.00196 -0.00180 -0.04869 0.05133 161 3S -0.01246 -0.00337 -0.00397 0.01641 0.03059 162 3PX -0.01543 0.00940 -0.02044 -0.05942 -0.01725 163 3PY -0.00141 -0.01410 0.03730 -0.01905 0.03991 164 3PZ -0.01638 0.00232 -0.00380 -0.04772 0.04124 165 4XX 0.00042 0.00027 0.00014 0.00368 -0.00416 166 4YY 0.00062 0.00139 -0.00234 0.00091 -0.00259 167 4ZZ 0.00048 0.00101 -0.00119 -0.00256 -0.00249 168 4XY 0.00079 0.00070 -0.00154 0.00302 -0.00608 169 4XZ 0.00008 0.00006 -0.00020 0.00117 -0.00136 170 4YZ 0.00007 -0.00092 0.00213 -0.00170 0.00473 171 21 C 1S -0.00173 -0.00316 0.00630 -0.00913 0.01013 172 2S 0.00488 0.00672 -0.01757 0.02191 -0.03217 173 2PX 0.00482 0.01114 -0.02807 0.02079 -0.01613 174 2PY 0.00067 -0.00216 0.00472 -0.03527 -0.02095 175 2PZ 0.00345 -0.00867 0.02123 -0.03435 0.02125 176 3S 0.00721 0.00989 -0.01228 0.04433 -0.05396 177 3PX -0.00267 0.00779 -0.01318 0.01208 -0.01700 178 3PY 0.00304 -0.00138 0.00392 -0.03150 -0.00050 179 3PZ -0.00120 -0.00627 0.01182 -0.03282 0.02177 180 4XX -0.00102 -0.00162 0.00400 -0.00734 -0.00167 181 4YY -0.00017 0.00217 -0.00464 0.00889 0.00518 182 4ZZ 0.00082 -0.00094 0.00176 -0.00480 -0.00206 183 4XY -0.00030 0.00103 -0.00239 0.00014 -0.00067 184 4XZ 0.00000 0.00005 -0.00046 0.00444 -0.00026 185 4YZ -0.00052 0.00001 -0.00012 -0.00417 0.00251 186 22 H 1S -0.00500 -0.00481 0.01265 -0.02123 -0.00580 187 2S -0.01207 -0.00437 0.01311 -0.04170 0.00555 188 23 H 1S 0.00647 -0.00289 0.00541 -0.00917 -0.00539 189 2S 0.00728 -0.00328 0.00505 0.00162 -0.00263 111 112 113 114 115 111 2PZ 0.37886 112 3S -0.02425 0.30218 113 3PX 0.08370 0.06502 0.10753 114 3PY -0.01637 0.00113 -0.03281 0.05314 115 3PZ 0.16320 0.01242 0.06595 -0.02386 0.09331 116 4XX 0.01128 -0.01109 -0.00268 -0.00135 0.00337 117 4YY -0.00555 -0.00004 -0.00020 0.00171 -0.00081 118 4ZZ -0.00482 -0.00312 0.00076 -0.00225 -0.00239 119 4XY 0.01135 -0.00071 0.00124 -0.00301 0.00446 120 4XZ -0.00700 -0.00263 0.00148 0.00128 0.00020 121 4YZ -0.00938 0.01358 0.00464 -0.00211 -0.00057 122 16 H 1S -0.19084 0.13824 0.01468 -0.04019 -0.06420 123 2S -0.15454 0.05310 -0.00281 -0.02939 -0.05322 124 17 C 1S -0.01101 0.00180 -0.00347 -0.00102 -0.00663 125 2S 0.02005 0.02807 0.00374 0.01879 0.01824 126 2PX 0.09939 0.06611 0.09439 -0.02438 0.06396 127 2PY 0.03342 -0.12958 0.01932 -0.10076 0.03837 128 2PZ 0.11879 0.07381 0.05074 -0.02200 0.08169 129 3S 0.07429 -0.02100 0.03386 -0.01294 0.04423 130 3PX 0.05078 0.03368 0.04460 -0.01946 0.04242 131 3PY 0.02175 0.01274 0.01941 -0.02619 0.02096 132 3PZ 0.08159 0.04407 0.04239 -0.02100 0.04846 133 4XX -0.00042 -0.00418 0.00001 -0.00386 0.00090 134 4YY 0.00079 0.01064 0.00135 0.00339 -0.00131 135 4ZZ -0.00383 -0.00858 -0.00232 -0.00223 -0.00164 136 4XY -0.00419 -0.00611 -0.00720 0.00242 -0.00480 137 4XZ 0.00034 0.00376 0.00085 0.00203 -0.00145 138 4YZ -0.01435 0.00376 -0.00559 0.00311 -0.00723 139 18 H 1S 0.00074 -0.06702 0.00166 -0.02501 0.00184 140 2S 0.00803 -0.06604 -0.00133 -0.02215 -0.00052 141 19 O 1S -0.02341 0.03365 -0.00190 0.00927 0.00882 142 2S 0.05396 -0.08565 0.00927 -0.02011 -0.02164 143 2PX 0.18555 0.03602 -0.02838 -0.01437 0.03336 144 2PY 0.06640 0.06393 0.00550 0.04342 0.00090 145 2PZ -0.08060 -0.07380 0.06530 0.02441 -0.03152 146 3S 0.04692 -0.14496 0.00225 -0.00577 -0.03626 147 3PX 0.09083 0.00385 -0.02096 -0.00218 0.00666 148 3PY 0.04920 0.04541 0.00213 0.02760 0.00150 149 3PZ -0.05650 -0.04402 0.02603 0.01820 -0.02939 150 4XX 0.00738 0.00706 0.00485 -0.00343 0.00474 151 4YY 0.00290 0.00256 -0.00001 0.00238 0.00049 152 4ZZ -0.00970 0.00267 -0.00309 -0.00096 -0.00348 153 4XY 0.01056 0.00460 -0.00132 0.00224 0.00177 154 4XZ 0.00129 -0.00512 0.00089 0.00065 0.00175 155 4YZ -0.00183 -0.00392 0.00492 -0.00177 0.00036 156 20 O 1S 0.00858 -0.01910 0.00040 -0.00865 0.00034 157 2S -0.01592 0.03950 0.00019 0.01380 0.00415 158 2PX -0.04715 -0.05188 -0.06279 0.00292 -0.01594 159 2PY 0.01358 0.11863 0.01234 0.06999 -0.02558 160 2PZ -0.05760 -0.02244 -0.04574 0.04212 -0.04498 161 3S -0.06692 0.06990 -0.00816 0.04759 -0.02586 162 3PX -0.04763 -0.04010 -0.05123 0.00649 -0.02008 163 3PY 0.01444 0.07832 0.00951 0.04589 -0.01459 164 3PZ -0.05140 -0.02352 -0.03958 0.03265 -0.03823 165 4XX 0.00503 0.00129 0.00203 -0.00205 0.00335 166 4YY 0.00125 -0.00668 0.00009 -0.00370 0.00189 167 4ZZ -0.00056 -0.00189 -0.00056 -0.00107 -0.00081 168 4XY 0.00085 0.00119 0.00307 -0.00152 0.00019 169 4XZ -0.00027 0.00024 0.00084 0.00009 -0.00043 170 4YZ 0.00040 0.00089 -0.00049 0.00055 0.00013 171 21 C 1S 0.00382 0.00670 -0.00601 0.00711 0.00105 172 2S -0.01023 -0.01118 0.01085 -0.01567 0.00196 173 2PX -0.02274 -0.04028 0.01472 -0.00222 -0.01111 174 2PY 0.03812 -0.01440 -0.02859 -0.02782 0.02412 175 2PZ 0.00274 0.03381 -0.02621 0.00353 -0.00500 176 3S -0.00803 0.00695 0.01789 -0.02482 0.01202 177 3PX -0.01132 -0.01714 0.00542 -0.00310 -0.00397 178 3PY 0.03295 -0.00615 -0.00955 -0.00235 0.00881 179 3PZ -0.00864 0.00196 -0.02104 0.01079 -0.01369 180 4XX 0.00611 0.00033 -0.00298 0.00046 0.00145 181 4YY -0.00718 -0.00421 0.00355 0.00211 -0.00332 182 4ZZ 0.00339 0.00361 -0.00142 -0.00189 0.00199 183 4XY -0.00422 -0.00110 -0.00345 -0.00191 0.00079 184 4XZ -0.00261 0.00243 0.00084 -0.00050 -0.00028 185 4YZ -0.00146 0.00005 -0.00060 0.00299 -0.00241 186 22 H 1S 0.01275 0.00895 -0.01223 -0.00077 0.00416 187 2S 0.00476 -0.00500 -0.02402 0.00972 -0.00725 188 23 H 1S 0.00811 0.02075 -0.00569 -0.00941 0.00565 189 2S 0.02478 0.03059 0.00485 -0.01304 0.01771 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00081 0.00124 118 4ZZ -0.00057 -0.00025 0.00166 119 4XY 0.00068 -0.00016 -0.00042 0.00146 120 4XZ -0.00036 0.00086 -0.00048 -0.00038 0.00146 121 4YZ -0.00059 0.00001 0.00006 -0.00046 0.00023 122 16 H 1S -0.01029 -0.00134 0.00728 -0.00492 -0.00221 123 2S -0.00708 -0.00115 0.00780 -0.00505 -0.00107 124 17 C 1S 0.00324 -0.00653 0.00346 -0.00007 -0.00133 125 2S -0.00759 0.01193 -0.00794 0.00038 0.00307 126 2PX 0.00050 -0.00093 -0.00232 0.01259 0.00018 127 2PY 0.01313 -0.00798 0.01007 0.00562 -0.00448 128 2PZ -0.00038 0.00072 -0.00375 0.00420 0.00034 129 3S -0.00418 0.01065 -0.00858 0.00614 0.00379 130 3PX 0.00004 0.00132 -0.00230 0.00720 0.00086 131 3PY 0.00387 -0.00340 0.00224 0.00241 -0.00203 132 3PZ 0.00091 -0.00133 -0.00160 0.00480 -0.00144 133 4XX 0.00057 -0.00034 0.00024 -0.00016 0.00000 134 4YY -0.00034 -0.00010 -0.00026 0.00009 -0.00023 135 4ZZ 0.00023 -0.00026 0.00074 0.00003 -0.00019 136 4XY 0.00016 -0.00008 -0.00004 0.00000 -0.00036 137 4XZ 0.00000 -0.00023 -0.00019 0.00036 0.00004 138 4YZ -0.00047 0.00007 0.00022 -0.00055 0.00017 139 18 H 1S 0.00286 0.00068 0.00199 0.00224 -0.00135 140 2S 0.00381 -0.00246 0.00396 0.00105 -0.00287 141 19 O 1S -0.00408 0.00186 -0.00015 -0.00472 0.00481 142 2S 0.01018 -0.00415 0.00084 0.01095 -0.01111 143 2PX -0.00969 -0.00835 0.01392 0.00472 -0.02045 144 2PY 0.01249 -0.01672 0.00483 -0.01111 -0.01398 145 2PZ -0.02964 0.00732 0.02319 -0.01511 0.00359 146 3S 0.00913 -0.00035 -0.00056 0.01374 -0.00831 147 3PX -0.00840 -0.00482 0.01120 0.00029 -0.01238 148 3PY 0.00828 -0.01110 0.00302 -0.00643 -0.00953 149 3PZ -0.02040 0.00452 0.01586 -0.00911 0.00056 150 4XX -0.00053 -0.00009 0.00032 0.00036 -0.00026 151 4YY 0.00073 -0.00087 0.00021 -0.00085 -0.00067 152 4ZZ -0.00006 0.00012 -0.00011 0.00000 0.00029 153 4XY -0.00044 -0.00033 0.00031 0.00003 -0.00095 154 4XZ -0.00015 0.00020 0.00014 -0.00023 0.00045 155 4YZ -0.00104 0.00016 0.00112 -0.00036 0.00013 156 20 O 1S 0.00017 -0.00113 -0.00041 0.00019 -0.00019 157 2S -0.00013 0.00172 0.00103 -0.00005 0.00040 158 2PX -0.00182 0.00322 0.00312 -0.00571 -0.00061 159 2PY 0.00128 -0.00525 -0.00023 0.00352 -0.00129 160 2PZ -0.00149 -0.00191 0.00375 0.00396 -0.00218 161 3S -0.00332 0.00284 0.00163 -0.00090 0.00219 162 3PX -0.00100 0.00166 0.00236 -0.00407 -0.00033 163 3PY 0.00137 -0.00393 -0.00032 0.00219 -0.00113 164 3PZ -0.00132 -0.00071 0.00283 0.00123 -0.00133 165 4XX -0.00005 0.00009 -0.00001 0.00046 -0.00004 166 4YY 0.00012 0.00005 0.00004 -0.00039 -0.00013 167 4ZZ 0.00028 -0.00010 -0.00004 0.00010 0.00003 168 4XY 0.00034 -0.00045 0.00017 0.00033 -0.00009 169 4XZ 0.00007 -0.00027 0.00014 0.00002 -0.00007 170 4YZ -0.00012 0.00028 -0.00037 -0.00037 0.00016 171 21 C 1S -0.00035 0.00097 -0.00114 0.00146 0.00001 172 2S 0.00109 -0.00241 0.00264 -0.00346 -0.00075 173 2PX 0.00363 -0.00311 0.00372 -0.00387 -0.00315 174 2PY 0.00022 0.00267 -0.00409 0.00847 0.00030 175 2PZ -0.00250 0.00293 -0.00354 0.00434 0.00327 176 3S -0.00050 -0.00182 0.00212 -0.00259 0.00119 177 3PX -0.00005 -0.00128 0.00288 -0.00192 -0.00119 178 3PY 0.00246 -0.00101 -0.00153 0.00350 -0.00166 179 3PZ -0.00320 0.00132 0.00095 0.00043 -0.00021 180 4XX -0.00073 -0.00007 0.00058 -0.00016 -0.00060 181 4YY -0.00023 0.00019 0.00040 -0.00003 0.00024 182 4ZZ 0.00112 -0.00013 -0.00110 0.00034 0.00016 183 4XY 0.00018 0.00054 -0.00069 0.00038 0.00063 184 4XZ -0.00044 0.00030 -0.00005 0.00031 0.00052 185 4YZ 0.00103 -0.00052 -0.00027 -0.00013 -0.00022 186 22 H 1S -0.00346 0.00043 0.00137 -0.00038 -0.00037 187 2S -0.00562 0.00071 0.00374 -0.00106 -0.00177 188 23 H 1S 0.00242 0.00013 -0.00360 0.00183 0.00183 189 2S 0.00650 0.00011 -0.00764 0.00380 0.00289 121 122 123 124 125 121 4YZ 0.00192 122 16 H 1S 0.01374 0.21548 123 2S 0.00998 0.15283 0.12393 124 17 C 1S 0.00080 0.01654 0.02041 2.05255 125 2S -0.00168 -0.03649 -0.04065 -0.06338 0.33286 126 2PX 0.00512 -0.00830 -0.02369 -0.01204 0.01863 127 2PY -0.00042 0.04033 0.06423 0.00503 -0.01298 128 2PZ 0.01435 0.00086 0.00822 0.01510 -0.02720 129 3S -0.00370 -0.06700 -0.06605 -0.17210 0.27255 130 3PX 0.00559 0.00165 -0.00134 -0.01880 0.03669 131 3PY 0.00308 0.02500 0.02217 0.00734 -0.00392 132 3PZ 0.00722 0.00191 -0.00045 0.00253 -0.01643 133 4XX 0.00047 0.00286 0.00383 -0.01177 -0.01308 134 4YY -0.00007 0.00065 -0.00249 -0.01725 -0.00101 135 4ZZ -0.00022 0.00201 0.00397 -0.01570 -0.00411 136 4XY -0.00055 -0.00225 -0.00106 -0.00020 0.00034 137 4XZ -0.00018 -0.00136 -0.00287 0.00344 -0.00808 138 4YZ 0.00062 0.00731 0.00648 0.00424 -0.00860 139 18 H 1S -0.00733 -0.01120 -0.00665 -0.06819 0.13564 140 2S -0.00651 -0.00664 0.00087 -0.02048 0.04650 141 19 O 1S 0.00419 0.01459 0.01573 -0.00177 0.00495 142 2S -0.00917 -0.02982 -0.03190 0.00716 -0.01548 143 2PX -0.01407 -0.01403 -0.01602 0.01258 -0.02731 144 2PY 0.00986 0.01732 0.02193 0.02271 -0.05457 145 2PZ -0.00087 0.04333 0.07304 0.00204 -0.00200 146 3S -0.01643 -0.07740 -0.06869 -0.00338 -0.00398 147 3PX -0.00878 -0.00238 0.00172 0.00942 -0.02049 148 3PY 0.00551 0.00921 0.01052 0.01409 -0.03727 149 3PZ -0.00239 0.03205 0.04913 0.00239 -0.00396 150 4XX 0.00009 0.00288 0.00109 0.00027 0.00014 151 4YY 0.00082 0.00090 0.00185 0.00139 -0.00233 152 4ZZ 0.00035 0.00570 0.00403 0.00102 -0.00121 153 4XY -0.00054 -0.00312 -0.00327 -0.00070 0.00154 154 4XZ -0.00007 -0.00366 -0.00124 0.00006 -0.00019 155 4YZ 0.00011 0.00318 0.00428 0.00092 -0.00213 156 20 O 1S -0.00025 -0.00352 -0.00323 0.00536 -0.00686 157 2S 0.00048 0.00990 0.00967 -0.00987 0.01072 158 2PX 0.00497 0.02876 0.05948 -0.05682 0.12358 159 2PY -0.00300 -0.01996 -0.04330 0.02543 -0.05155 160 2PZ -0.00361 -0.00592 0.00645 0.03477 -0.06521 161 3S 0.00023 0.01896 0.01360 0.01406 -0.02644 162 3PX 0.00223 0.02011 0.04088 -0.02657 0.06224 163 3PY -0.00193 -0.01569 -0.03100 0.01943 -0.03874 164 3PZ -0.00308 -0.00334 0.00713 0.01513 -0.02658 165 4XX 0.00020 -0.00004 0.00016 -0.00369 0.00605 166 4YY 0.00029 0.00061 0.00204 -0.00126 0.00119 167 4ZZ -0.00046 -0.00074 -0.00140 -0.00090 0.00061 168 4XY -0.00023 0.00076 -0.00066 0.00463 -0.00906 169 4XZ 0.00019 0.00092 0.00084 0.00490 -0.00780 170 4YZ -0.00001 -0.00109 -0.00142 -0.00277 0.00504 171 21 C 1S -0.00168 -0.00735 -0.00777 -0.00315 0.00630 172 2S 0.00393 0.02026 0.02247 0.00671 -0.01755 173 2PX 0.00431 0.01913 0.02701 0.01114 -0.02806 174 2PY -0.00716 -0.03005 -0.03198 0.00218 -0.00476 175 2PZ -0.00376 -0.01939 -0.03250 -0.00866 0.02119 176 3S 0.00486 0.02999 0.02717 0.00987 -0.01224 177 3PX 0.00177 0.01341 0.01776 0.00779 -0.01318 178 3PY -0.00356 -0.02407 -0.02344 0.00140 -0.00394 179 3PZ -0.00290 -0.00667 -0.00702 -0.00625 0.01178 180 4XX -0.00034 -0.00057 0.00090 -0.00162 0.00400 181 4YY -0.00008 0.00081 0.00129 0.00217 -0.00464 182 4ZZ 0.00022 -0.00195 -0.00370 -0.00094 0.00176 183 4XY 0.00005 -0.00002 0.00015 -0.00103 0.00239 184 4XZ -0.00015 0.00069 -0.00044 0.00004 -0.00046 185 4YZ 0.00040 -0.00062 -0.00037 0.00000 0.00011 186 22 H 1S -0.00170 -0.00083 0.00155 -0.00480 0.01263 187 2S -0.00353 -0.00208 0.00582 -0.00435 0.01307 188 23 H 1S 0.00071 -0.00729 -0.01726 -0.00290 0.00541 189 2S 0.00149 -0.01838 -0.03267 -0.00329 0.00507 126 127 128 129 130 126 2PX 0.34619 127 2PY 0.04012 0.43072 128 2PZ 0.02230 -0.02888 0.37876 129 3S 0.09845 0.01745 -0.02407 0.30259 130 3PX 0.16689 0.03754 0.08372 0.06520 0.10752 131 3PY 0.05098 0.12295 0.01634 -0.00104 0.03275 132 3PZ 0.08140 0.01235 0.16312 0.01257 0.06589 133 4XX -0.01164 0.00699 0.01133 -0.01111 -0.00269 134 4YY 0.00625 -0.01259 -0.00559 0.00000 -0.00019 135 4ZZ 0.00182 0.01309 -0.00482 -0.00314 0.00074 136 4XY 0.00111 -0.00496 -0.01132 0.00069 -0.00125 137 4XZ 0.01111 -0.00915 -0.00705 -0.00260 0.00148 138 4YZ -0.01261 -0.00773 0.00936 -0.01358 -0.00465 139 18 H 1S 0.06555 0.16935 -0.19070 0.13824 0.01459 140 2S 0.03945 0.13855 -0.15448 0.05308 -0.00290 141 19 O 1S -0.00446 -0.00163 0.00858 -0.01913 0.00040 142 2S 0.01397 0.01729 -0.01588 0.03956 0.00017 143 2PX -0.07079 0.03235 -0.04707 -0.05191 -0.06280 144 2PY 0.02761 0.05841 -0.01335 -0.11868 -0.01215 145 2PZ -0.04872 -0.05113 -0.05775 -0.02272 -0.04587 146 3S 0.01645 -0.03053 -0.06698 0.06993 -0.00818 147 3PX -0.05946 0.01732 -0.04759 -0.04016 -0.05126 148 3PY 0.01918 0.04002 -0.01428 -0.07833 -0.00936 149 3PZ -0.04775 -0.04105 -0.05151 -0.02374 -0.03968 150 4XX 0.00368 0.00415 0.00503 0.00130 0.00203 151 4YY 0.00091 0.00258 0.00126 -0.00668 0.00010 152 4ZZ -0.00256 0.00251 -0.00056 -0.00190 -0.00056 153 4XY -0.00303 -0.00608 -0.00086 -0.00119 -0.00307 154 4XZ 0.00117 0.00135 -0.00027 0.00024 0.00084 155 4YZ 0.00170 0.00473 -0.00039 -0.00089 0.00049 156 20 O 1S 0.02953 -0.00838 -0.02341 0.03366 -0.00188 157 2S -0.06593 0.03087 0.05397 -0.08566 0.00923 158 2PX -0.16705 0.10806 0.18564 0.03607 -0.02847 159 2PY 0.09840 -0.03158 -0.06623 -0.06374 -0.00560 160 2PZ 0.17837 -0.07002 -0.08089 -0.07378 0.06530 161 3S -0.06860 -0.04045 0.04688 -0.14506 0.00218 162 3PX -0.10161 0.05720 0.09091 0.00385 -0.02100 163 3PY 0.07135 -0.02498 -0.04911 -0.04529 -0.00215 164 3PZ 0.08269 -0.04070 -0.05671 -0.04403 0.02603 165 4XX 0.00641 0.00822 0.00739 0.00708 0.00484 166 4YY -0.00463 0.00050 0.00289 0.00254 0.00000 167 4ZZ -0.00147 0.00487 -0.00968 0.00268 -0.00310 168 4XY 0.00889 0.00341 -0.01055 -0.00459 0.00132 169 4XZ 0.00432 -0.00310 0.00126 -0.00513 0.00090 170 4YZ -0.01129 -0.00411 0.00185 0.00391 -0.00492 171 21 C 1S -0.00914 -0.01014 0.00380 0.00667 -0.00601 172 2S 0.02192 0.03220 -0.01018 -0.01114 0.01086 173 2PX 0.02081 0.01618 -0.02269 -0.04029 0.01477 174 2PY 0.03536 -0.02084 -0.03818 0.01435 0.02865 175 2PZ -0.03427 -0.02131 0.00265 0.03384 -0.02617 176 3S 0.04433 0.05398 -0.00795 0.00701 0.01790 177 3PX 0.01209 0.01702 -0.01127 -0.01714 0.00545 178 3PY 0.03160 -0.00039 -0.03293 0.00616 0.00962 179 3PZ -0.03278 -0.02175 -0.00874 0.00195 -0.02104 180 4XX -0.00735 0.00166 0.00610 0.00033 -0.00299 181 4YY 0.00888 -0.00517 -0.00719 -0.00421 0.00355 182 4ZZ -0.00478 0.00206 0.00340 0.00360 -0.00141 183 4XY -0.00016 -0.00067 0.00422 0.00110 0.00345 184 4XZ 0.00443 0.00026 -0.00260 0.00244 0.00084 185 4YZ 0.00420 0.00249 0.00144 -0.00006 0.00062 186 22 H 1S -0.02128 0.00578 0.01275 0.00896 -0.01227 187 2S -0.04177 -0.00555 0.00475 -0.00502 -0.02406 188 23 H 1S -0.00914 0.00536 0.00814 0.02078 -0.00568 189 2S 0.00170 0.00256 0.02481 0.03062 0.00488 131 132 133 134 135 131 3PY 0.05312 132 3PZ 0.02377 0.09319 133 4XX 0.00135 0.00336 0.00284 134 4YY -0.00171 -0.00081 -0.00081 0.00124 135 4ZZ 0.00225 -0.00239 -0.00057 -0.00025 0.00166 136 4XY -0.00301 -0.00445 -0.00067 0.00016 0.00042 137 4XZ -0.00128 0.00018 -0.00036 0.00086 -0.00048 138 4YZ -0.00214 0.00057 0.00059 -0.00001 -0.00006 139 18 H 1S 0.04029 -0.06419 -0.01031 -0.00132 0.00727 140 2S 0.02946 -0.05325 -0.00711 -0.00113 0.00780 141 19 O 1S 0.00867 0.00034 0.00017 -0.00114 -0.00041 142 2S -0.01383 0.00415 -0.00013 0.00172 0.00103 143 2PX -0.00295 -0.01587 -0.00181 0.00323 0.00311 144 2PY 0.07011 0.02574 -0.00128 0.00526 0.00022 145 2PZ -0.04200 -0.04487 -0.00149 -0.00191 0.00376 146 3S -0.04761 -0.02589 -0.00334 0.00285 0.00163 147 3PX -0.00650 -0.02005 -0.00099 0.00167 0.00235 148 3PY 0.04597 0.01471 -0.00137 0.00393 0.00031 149 3PZ -0.03256 -0.03815 -0.00131 -0.00071 0.00284 150 4XX 0.00205 0.00335 -0.00005 0.00009 -0.00001 151 4YY 0.00370 0.00190 0.00012 0.00005 0.00004 152 4ZZ 0.00107 -0.00081 0.00028 -0.00010 -0.00004 153 4XY -0.00153 -0.00019 -0.00034 0.00045 -0.00018 154 4XZ -0.00009 -0.00043 0.00007 -0.00027 0.00014 155 4YZ 0.00056 -0.00012 0.00012 -0.00028 0.00037 156 20 O 1S -0.00926 0.00879 -0.00408 0.00188 -0.00016 157 2S 0.02009 -0.02158 0.01019 -0.00418 0.00086 158 2PX 0.01426 0.03346 -0.00965 -0.00840 0.01395 159 2PY 0.04339 -0.00072 -0.01244 0.01666 -0.00483 160 2PZ -0.02434 -0.03143 -0.02968 0.00735 0.02319 161 3S 0.00576 -0.03617 0.00916 -0.00040 -0.00053 162 3PX 0.00215 0.00675 -0.00837 -0.00486 0.01122 163 3PY 0.02758 -0.00138 -0.00825 0.01107 -0.00302 164 3PZ -0.01816 -0.02931 -0.02043 0.00453 0.01586 165 4XX 0.00342 0.00474 -0.00053 -0.00009 0.00032 166 4YY -0.00237 0.00048 0.00073 -0.00086 0.00021 167 4ZZ 0.00096 -0.00347 -0.00005 0.00012 -0.00011 168 4XY 0.00224 -0.00177 0.00044 0.00033 -0.00031 169 4XZ -0.00065 0.00174 -0.00015 0.00020 0.00014 170 4YZ -0.00177 -0.00035 0.00104 -0.00017 -0.00112 171 21 C 1S -0.00710 0.00103 -0.00035 0.00096 -0.00113 172 2S 0.01567 0.00198 0.00108 -0.00240 0.00263 173 2PX 0.00228 -0.01112 0.00362 -0.00309 0.00370 174 2PY -0.02778 -0.02416 -0.00023 -0.00265 0.00408 175 2PZ -0.00362 -0.00502 -0.00250 0.00291 -0.00352 176 3S 0.02482 0.01203 -0.00051 -0.00181 0.00210 177 3PX 0.00313 -0.00395 -0.00005 -0.00127 0.00287 178 3PY -0.00231 -0.00878 -0.00246 0.00102 0.00152 179 3PZ -0.01080 -0.01368 -0.00320 0.00131 0.00097 180 4XX -0.00047 0.00146 -0.00073 -0.00007 0.00058 181 4YY -0.00211 -0.00333 -0.00023 0.00019 0.00040 182 4ZZ 0.00190 0.00199 0.00112 -0.00013 -0.00110 183 4XY -0.00191 -0.00079 -0.00018 -0.00054 0.00069 184 4XZ 0.00049 -0.00028 -0.00044 0.00030 -0.00005 185 4YZ 0.00298 0.00240 -0.00103 0.00052 0.00028 186 22 H 1S 0.00073 0.00419 -0.00346 0.00042 0.00137 187 2S -0.00975 -0.00720 -0.00561 0.00069 0.00375 188 23 H 1S 0.00940 0.00564 0.00242 0.00013 -0.00360 189 2S 0.01304 0.01767 0.00650 0.00011 -0.00765 136 137 138 139 140 136 4XY 0.00146 137 4XZ 0.00038 0.00147 138 4YZ -0.00045 -0.00023 0.00192 139 18 H 1S 0.00489 -0.00218 -0.01376 0.21550 140 2S 0.00502 -0.00104 -0.01000 0.15288 0.12401 141 19 O 1S -0.00019 -0.00019 0.00025 -0.00352 -0.00324 142 2S 0.00005 0.00040 -0.00048 0.00990 0.00968 143 2PX 0.00570 -0.00060 -0.00497 0.02879 0.05951 144 2PY 0.00352 0.00130 -0.00300 0.01996 0.04323 145 2PZ -0.00394 -0.00219 0.00359 -0.00581 0.00669 146 3S 0.00089 0.00220 -0.00022 0.01899 0.01367 147 3PX 0.00407 -0.00032 -0.00223 0.02013 0.04090 148 3PY 0.00218 0.00114 -0.00193 0.01569 0.03096 149 3PZ -0.00122 -0.00133 0.00307 -0.00326 0.00731 150 4XX -0.00047 -0.00004 -0.00020 -0.00004 0.00016 151 4YY 0.00039 -0.00013 -0.00029 0.00060 0.00203 152 4ZZ -0.00010 0.00003 0.00046 -0.00074 -0.00139 153 4XY 0.00033 0.00009 -0.00023 -0.00077 0.00066 154 4XZ -0.00002 -0.00007 -0.00020 0.00091 0.00084 155 4YZ -0.00037 -0.00016 -0.00002 0.00110 0.00143 156 20 O 1S 0.00471 0.00482 -0.00418 0.01458 0.01570 157 2S -0.01092 -0.01113 0.00915 -0.02980 -0.03184 158 2PX -0.00469 -0.02048 0.01400 -0.01397 -0.01590 159 2PY -0.01117 0.01393 0.00990 -0.01739 -0.02199 160 2PZ 0.01506 0.00362 0.00086 0.04334 0.07317 161 3S -0.01371 -0.00835 0.01642 -0.07739 -0.06861 162 3PX -0.00027 -0.01240 0.00874 -0.00234 0.00180 163 3PY -0.00647 0.00950 0.00554 -0.00925 -0.01055 164 3PZ 0.00908 0.00058 0.00238 0.03209 0.04926 165 4XX -0.00036 -0.00026 -0.00009 0.00288 0.00108 166 4YY 0.00086 -0.00067 -0.00082 0.00091 0.00186 167 4ZZ 0.00000 0.00029 -0.00035 0.00569 0.00403 168 4XY 0.00003 0.00095 -0.00054 0.00313 0.00327 169 4XZ 0.00023 0.00045 0.00007 -0.00366 -0.00123 170 4YZ -0.00036 -0.00013 0.00011 -0.00319 -0.00429 171 21 C 1S -0.00146 0.00001 0.00168 -0.00734 -0.00777 172 2S 0.00346 -0.00074 -0.00394 0.02026 0.02245 173 2PX 0.00387 -0.00314 -0.00432 0.01910 0.02695 174 2PY 0.00847 -0.00028 -0.00717 0.03008 0.03204 175 2PZ -0.00432 0.00326 0.00376 -0.01931 -0.03242 176 3S 0.00258 0.00120 -0.00487 0.02998 0.02715 177 3PX 0.00192 -0.00119 -0.00177 0.01340 0.01775 178 3PY 0.00349 0.00167 -0.00356 0.02407 0.02345 179 3PZ -0.00042 -0.00022 0.00289 -0.00659 -0.00692 180 4XX 0.00016 -0.00060 0.00033 -0.00057 0.00091 181 4YY 0.00003 0.00024 0.00008 0.00081 0.00129 182 4ZZ -0.00034 0.00016 -0.00022 -0.00195 -0.00371 183 4XY 0.00038 -0.00063 0.00005 0.00002 -0.00014 184 4XZ -0.00031 0.00052 0.00015 0.00069 -0.00044 185 4YZ -0.00013 0.00021 0.00040 0.00063 0.00038 186 22 H 1S 0.00038 -0.00037 0.00170 -0.00081 0.00160 187 2S 0.00106 -0.00177 0.00352 -0.00205 0.00589 188 23 H 1S -0.00183 0.00182 -0.00070 -0.00730 -0.01730 189 2S -0.00380 0.00289 -0.00147 -0.01842 -0.03276 141 142 143 144 145 141 19 O 1S 2.07557 142 2S -0.17799 0.50359 143 2PX 0.01250 -0.02848 0.64792 144 2PY 0.03973 -0.07465 0.02578 0.66572 145 2PZ -0.00477 0.00372 0.13783 -0.04098 0.71641 146 3S -0.24522 0.59249 -0.04935 -0.22004 0.05272 147 3PX 0.00937 -0.02092 0.40597 0.03477 0.15874 148 3PY 0.02573 -0.04922 0.03527 0.42243 -0.03762 149 3PZ -0.00452 0.00462 0.14602 -0.04614 0.46269 150 4XX -0.01520 -0.00285 0.01347 -0.00531 0.00322 151 4YY -0.01267 -0.00834 -0.00250 0.04106 -0.00245 152 4ZZ -0.01397 -0.00547 -0.00533 -0.00589 -0.00730 153 4XY 0.00149 -0.00343 0.02796 0.00807 0.00450 154 4XZ 0.00372 -0.00792 -0.00235 -0.00090 0.00742 155 4YZ -0.00139 0.00292 0.00402 -0.00306 0.02923 156 20 O 1S 0.00092 -0.00175 0.00451 0.01105 -0.00931 157 2S -0.00175 0.00434 -0.00771 -0.02889 0.01772 158 2PX 0.00452 -0.00773 0.00554 -0.00097 0.01627 159 2PY -0.01104 0.02886 0.00088 0.13550 -0.00559 160 2PZ -0.00934 0.01776 0.01622 0.00586 0.00702 161 3S -0.01294 0.02674 -0.03681 -0.05941 0.07057 162 3PX 0.00662 -0.01439 0.00625 -0.00137 0.00569 163 3PY -0.00452 0.01239 0.00190 0.10448 -0.01073 164 3PZ -0.01028 0.02059 0.00997 0.00182 0.01672 165 4XX 0.00031 -0.00032 0.00140 -0.00226 -0.00269 166 4YY 0.00035 -0.00119 -0.00051 0.00223 0.00073 167 4ZZ -0.00024 0.00068 0.00158 -0.00197 -0.00341 168 4XY -0.00079 0.00193 -0.00037 0.00332 -0.00069 169 4XZ -0.00022 0.00068 -0.00132 0.00299 0.00072 170 4YZ 0.00075 -0.00177 -0.00020 -0.00194 -0.00060 171 21 C 1S 0.00354 -0.00655 0.02525 -0.05973 -0.02426 172 2S -0.00182 0.00255 -0.05129 0.13121 0.04949 173 2PX -0.01530 0.03728 -0.05320 0.13980 0.05342 174 2PY 0.02796 -0.06674 0.12290 -0.21969 -0.13964 175 2PZ 0.01504 -0.03603 0.05837 -0.14529 -0.05286 176 3S 0.02924 -0.07391 -0.03116 0.09638 0.02275 177 3PX 0.00402 -0.00862 0.00235 0.05243 0.04084 178 3PY 0.00234 -0.00203 0.04745 -0.01926 -0.06256 179 3PZ -0.00332 0.00685 0.06075 -0.05205 0.03528 180 4XX 0.00248 -0.00539 0.02408 0.00103 0.00835 181 4YY -0.00615 0.01469 -0.01376 -0.00409 0.01597 182 4ZZ 0.00216 -0.00416 -0.00782 0.00114 -0.02693 183 4XY 0.00392 -0.00925 -0.00687 -0.01983 -0.01750 184 4XZ 0.00149 -0.00369 -0.00133 -0.01288 0.00132 185 4YZ -0.00459 0.01107 -0.01704 0.02150 -0.00882 186 22 H 1S 0.01026 -0.02490 0.06500 -0.01389 0.02891 187 2S 0.00569 -0.01481 0.11692 -0.03144 0.07567 188 23 H 1S 0.00889 -0.02015 -0.02510 -0.01446 -0.07387 189 2S 0.00532 -0.01017 -0.08180 -0.02779 -0.15908 146 147 148 149 150 146 3S 0.75616 147 3PX -0.03224 0.26576 148 3PY -0.14008 0.03216 0.26986 149 3PZ 0.04136 0.13783 -0.03453 0.30839 150 4XX -0.00420 0.00784 -0.00286 0.00301 0.00104 151 4YY -0.01836 -0.00029 0.02560 -0.00326 -0.00033 152 4ZZ -0.00645 -0.00400 -0.00371 -0.00471 0.00002 153 4XY -0.00489 0.01726 0.00593 0.00506 0.00037 154 4XZ -0.00741 -0.00076 -0.00086 0.00424 -0.00009 155 4YZ 0.00412 0.00508 -0.00251 0.01811 0.00023 156 20 O 1S -0.01295 0.00662 0.00454 -0.01027 0.00031 157 2S 0.02677 -0.01437 -0.01242 0.02057 -0.00032 158 2PX -0.03680 0.00628 -0.00196 0.01000 0.00140 159 2PY 0.05938 0.00132 0.10448 -0.00164 0.00226 160 2PZ 0.07080 0.00568 0.01094 0.01671 -0.00269 161 3S 0.08395 -0.02856 -0.02905 0.05942 -0.00148 162 3PX -0.02856 0.00661 -0.00118 0.00631 0.00031 163 3PY 0.02902 0.00114 0.07828 -0.00610 0.00118 164 3PZ 0.05957 0.00632 0.00624 0.02060 -0.00184 165 4XX -0.00148 0.00031 -0.00118 -0.00183 0.00050 166 4YY -0.00513 0.00009 0.00014 -0.00021 -0.00026 167 4ZZ 0.00135 0.00074 -0.00094 -0.00229 -0.00004 168 4XY 0.00244 0.00008 0.00244 -0.00040 0.00010 169 4XZ 0.00059 -0.00070 0.00180 0.00023 -0.00005 170 4YZ -0.00258 0.00036 -0.00155 -0.00015 0.00000 171 21 C 1S 0.02100 0.00731 -0.03519 -0.00648 0.00031 172 2S -0.05475 -0.01641 0.07585 0.01417 -0.00092 173 2PX 0.02478 -0.03751 0.08015 0.01340 -0.00985 174 2PY -0.03595 0.04933 -0.13377 -0.06663 0.00248 175 2PZ -0.02668 0.01739 -0.08595 -0.03977 0.00035 176 3S -0.13767 -0.00868 0.05609 -0.00197 0.00126 177 3PX -0.01707 0.00188 0.03030 0.02005 -0.00281 178 3PY 0.00627 0.02065 -0.00866 -0.03359 0.00039 179 3PZ 0.01927 0.03709 -0.03010 0.02602 0.00025 180 4XX -0.00774 0.01644 0.00130 0.00820 0.00094 181 4YY 0.02321 -0.00748 -0.00303 0.00989 -0.00058 182 4ZZ -0.00866 -0.00799 0.00072 -0.01914 -0.00039 183 4XY -0.00752 -0.00699 -0.01252 -0.01069 -0.00007 184 4XZ -0.00156 -0.00097 -0.00777 0.00087 0.00035 185 4YZ 0.00929 -0.01035 0.01359 -0.00782 -0.00048 186 22 H 1S -0.04013 0.05427 -0.00602 0.03094 0.00638 187 2S -0.01080 0.08764 -0.01567 0.06849 0.00588 188 23 H 1S -0.04564 -0.02836 -0.00970 -0.06365 -0.00188 189 2S -0.02900 -0.07362 -0.01824 -0.12019 -0.00272 151 152 153 154 155 151 4YY 0.00294 152 4ZZ -0.00023 0.00079 153 4XY 0.00030 -0.00034 0.00161 154 4XZ 0.00005 -0.00011 -0.00008 0.00045 155 4YZ -0.00015 -0.00019 -0.00006 0.00028 0.00151 156 20 O 1S 0.00035 -0.00024 0.00079 -0.00022 -0.00075 157 2S -0.00120 0.00068 -0.00193 0.00068 0.00177 158 2PX -0.00051 0.00158 0.00037 -0.00132 0.00019 159 2PY -0.00223 0.00197 0.00332 -0.00299 -0.00195 160 2PZ 0.00072 -0.00342 0.00070 0.00072 0.00060 161 3S -0.00514 0.00136 -0.00244 0.00058 0.00256 162 3PX 0.00009 0.00074 -0.00007 -0.00070 -0.00036 163 3PY -0.00014 0.00093 0.00244 -0.00179 -0.00156 164 3PZ -0.00022 -0.00230 0.00041 0.00023 0.00015 165 4XX -0.00026 -0.00004 -0.00010 -0.00005 0.00000 166 4YY 0.00085 -0.00029 -0.00011 0.00015 0.00014 167 4ZZ -0.00029 0.00025 0.00002 -0.00008 -0.00005 168 4XY 0.00011 -0.00002 -0.00029 -0.00001 0.00012 169 4XZ 0.00015 -0.00008 0.00001 0.00004 0.00002 170 4YZ -0.00014 0.00004 0.00012 -0.00002 -0.00034 171 21 C 1S -0.00711 0.00032 0.00305 0.00130 -0.00369 172 2S 0.01320 -0.00063 -0.00578 -0.00170 0.00688 173 2PX 0.01103 0.00020 0.00348 0.00298 0.00515 174 2PY -0.01048 0.00108 0.00263 0.00093 -0.00523 175 2PZ -0.01122 0.00932 0.00411 -0.00265 0.00217 176 3S 0.00986 0.00119 -0.00446 -0.00062 0.00523 177 3PX 0.00395 0.00003 0.00213 0.00170 0.00268 178 3PY -0.00111 -0.00050 0.00188 -0.00024 -0.00254 179 3PZ -0.00408 0.00221 0.00299 -0.00123 0.00262 180 4XX -0.00003 -0.00048 0.00079 -0.00011 0.00001 181 4YY -0.00031 -0.00042 -0.00053 0.00031 0.00060 182 4ZZ 0.00013 0.00081 -0.00004 -0.00027 -0.00083 183 4XY -0.00082 0.00036 -0.00052 0.00012 -0.00065 184 4XZ -0.00098 0.00037 -0.00029 -0.00004 0.00020 185 4YZ 0.00102 -0.00007 -0.00044 -0.00032 -0.00038 186 22 H 1S -0.00047 -0.00215 -0.00191 -0.00194 0.00018 187 2S -0.00281 -0.00286 0.00179 -0.00098 0.00080 188 23 H 1S 0.00010 0.00617 -0.00032 -0.00216 0.00168 189 2S -0.00145 0.00636 -0.00176 -0.00178 -0.00307 156 157 158 159 160 156 20 O 1S 2.07557 157 2S -0.17799 0.50358 158 2PX 0.01251 -0.02849 0.64786 159 2PY -0.03972 0.07464 -0.02603 0.66548 160 2PZ -0.00482 0.00384 0.13784 0.04096 0.71669 161 3S -0.24523 0.59250 -0.04938 0.21995 0.05291 162 3PX 0.00937 -0.02091 0.40595 -0.03508 0.15868 163 3PY -0.02573 0.04922 -0.03556 0.42224 0.03767 164 3PZ -0.00455 0.00468 0.14598 0.04615 0.46302 165 4XX -0.01520 -0.00285 0.01348 0.00530 0.00323 166 4YY -0.01268 -0.00833 -0.00248 -0.04104 -0.00243 167 4ZZ -0.01397 -0.00548 -0.00534 0.00589 -0.00735 168 4XY -0.00150 0.00344 -0.02795 0.00808 -0.00450 169 4XZ 0.00371 -0.00792 -0.00240 0.00090 0.00742 170 4YZ 0.00140 -0.00292 -0.00401 -0.00310 -0.02923 171 21 C 1S 0.00354 -0.00656 0.02524 0.05980 -0.02416 172 2S -0.00182 0.00256 -0.05127 -0.13137 0.04926 173 2PX -0.01529 0.03726 -0.05312 -0.13989 0.05313 174 2PY -0.02800 0.06683 -0.12297 -0.22027 0.13937 175 2PZ 0.01498 -0.03591 0.05809 0.14502 -0.05230 176 3S 0.02924 -0.07391 -0.03116 -0.09646 0.02261 177 3PX 0.00403 -0.00863 0.00240 -0.05250 0.04076 178 3PY -0.00234 0.00203 -0.04758 -0.01948 0.06249 179 3PZ -0.00333 0.00686 0.06068 0.05197 0.03555 180 4XX 0.00248 -0.00540 0.02408 -0.00103 0.00834 181 4YY -0.00616 0.01473 -0.01381 0.00400 0.01596 182 4ZZ 0.00217 -0.00419 -0.00778 -0.00102 -0.02692 183 4XY -0.00392 0.00925 0.00689 -0.01988 0.01747 184 4XZ 0.00149 -0.00367 -0.00132 0.01284 0.00137 185 4YZ 0.00457 -0.01103 0.01702 0.02150 0.00897 186 22 H 1S 0.01026 -0.02490 0.06500 0.01385 0.02896 187 2S 0.00569 -0.01481 0.11696 0.03133 0.07579 188 23 H 1S 0.00889 -0.02015 -0.02514 0.01458 -0.07388 189 2S 0.00532 -0.01017 -0.08188 0.02806 -0.15913 161 162 163 164 165 161 3S 0.75617 162 3PX -0.03227 0.26574 163 3PY 0.14003 -0.03244 0.26973 164 3PZ 0.04147 0.13777 0.03457 0.30868 165 4XX -0.00420 0.00785 0.00285 0.00301 0.00104 166 4YY -0.01835 -0.00028 -0.02559 -0.00326 -0.00033 167 4ZZ -0.00647 -0.00402 0.00371 -0.00475 0.00002 168 4XY 0.00491 -0.01726 0.00594 -0.00505 -0.00037 169 4XZ -0.00741 -0.00078 0.00087 0.00424 -0.00009 170 4YZ -0.00414 -0.00508 -0.00254 -0.01812 -0.00023 171 21 C 1S 0.02100 0.00730 0.03521 -0.00642 0.00031 172 2S -0.05476 -0.01640 -0.07591 0.01404 -0.00092 173 2PX 0.02477 -0.03747 -0.08018 0.01322 -0.00985 174 2PY 0.03598 -0.04934 -0.13407 0.06649 -0.00249 175 2PZ -0.02658 0.01726 0.08580 -0.03947 0.00035 176 3S -0.13768 -0.00867 -0.05611 -0.00205 0.00126 177 3PX -0.01708 0.00191 -0.03033 0.02001 -0.00281 178 3PY -0.00630 -0.02074 -0.00878 0.03355 -0.00040 179 3PZ 0.01926 0.03706 0.03006 0.02618 0.00025 180 4XX -0.00775 0.01644 -0.00130 0.00819 0.00094 181 4YY 0.02323 -0.00751 0.00297 0.00988 -0.00058 182 4ZZ -0.00868 -0.00796 -0.00064 -0.01913 -0.00039 183 4XY 0.00751 0.00701 -0.01256 0.01067 0.00007 184 4XZ -0.00154 -0.00096 0.00775 0.00090 0.00035 185 4YZ -0.00923 0.01035 0.01359 0.00792 0.00048 186 22 H 1S -0.04015 0.05427 0.00598 0.03098 0.00638 187 2S -0.01084 0.08766 0.01557 0.06858 0.00588 188 23 H 1S -0.04559 -0.02839 0.00980 -0.06367 -0.00188 189 2S -0.02892 -0.07367 0.01843 -0.12025 -0.00272 166 167 168 169 170 166 4YY 0.00294 167 4ZZ -0.00023 0.00079 168 4XY -0.00030 0.00034 0.00161 169 4XZ 0.00005 -0.00011 0.00008 0.00045 170 4YZ 0.00015 0.00019 -0.00006 -0.00028 0.00151 171 21 C 1S -0.00713 0.00033 -0.00305 0.00130 0.00367 172 2S 0.01323 -0.00065 0.00578 -0.00169 -0.00686 173 2PX 0.01105 0.00018 -0.00350 0.00297 -0.00513 174 2PY 0.01053 -0.00111 0.00263 -0.00092 -0.00520 175 2PZ -0.01119 0.00931 -0.00410 -0.00265 -0.00223 176 3S 0.00988 0.00117 0.00446 -0.00061 -0.00522 177 3PX 0.00396 0.00002 -0.00214 0.00170 -0.00267 178 3PY 0.00112 0.00048 0.00188 0.00025 -0.00254 179 3PZ -0.00407 0.00220 -0.00298 -0.00123 -0.00264 180 4XX -0.00003 -0.00048 -0.00079 -0.00011 -0.00001 181 4YY -0.00031 -0.00043 0.00054 0.00031 -0.00059 182 4ZZ 0.00013 0.00081 0.00004 -0.00027 0.00083 183 4XY 0.00082 -0.00037 -0.00053 -0.00012 -0.00065 184 4XZ -0.00098 0.00037 0.00029 -0.00004 -0.00020 185 4YZ -0.00102 0.00007 -0.00044 0.00032 -0.00038 186 22 H 1S -0.00046 -0.00214 0.00192 -0.00194 -0.00018 187 2S -0.00280 -0.00286 -0.00179 -0.00098 -0.00080 188 23 H 1S 0.00010 0.00616 0.00033 -0.00215 -0.00169 189 2S -0.00146 0.00636 0.00177 -0.00178 0.00306 171 172 173 174 175 171 21 C 1S 2.04980 172 2S -0.06512 0.34291 173 2PX 0.01455 -0.02588 0.42800 174 2PY 0.00001 -0.00001 0.00000 0.29269 175 2PZ -0.01513 0.02463 0.04321 -0.00015 0.42493 176 3S -0.14988 0.26011 -0.04460 -0.00005 0.05590 177 3PX 0.00857 -0.01869 0.15537 0.00000 0.01403 178 3PY 0.00002 -0.00003 0.00001 0.07095 -0.00008 179 3PZ -0.01235 0.02303 0.00828 -0.00007 0.14522 180 4XX -0.01781 0.00026 -0.02405 0.00000 -0.00913 181 4YY -0.01312 -0.01025 0.01563 0.00006 -0.01615 182 4ZZ -0.01764 -0.00043 0.01019 -0.00006 0.02328 183 4XY 0.00000 0.00000 0.00000 0.02089 0.00001 184 4XZ -0.00060 0.00098 -0.01143 0.00001 0.01231 185 4YZ 0.00001 -0.00001 0.00000 -0.02049 -0.00006 186 22 H 1S -0.05970 0.12410 -0.27095 0.00002 -0.06531 187 2S -0.01231 0.03558 -0.21703 0.00004 -0.07298 188 23 H 1S -0.05992 0.12294 0.07204 -0.00026 0.26778 189 2S -0.01152 0.03387 0.08269 -0.00022 0.21792 176 177 178 179 180 176 3S 0.23348 177 3PX -0.01607 0.06205 178 3PY -0.00003 0.00001 0.02606 179 3PZ 0.02152 0.00376 -0.00004 0.06494 180 4XX 0.00239 -0.00680 0.00000 0.00047 0.00335 181 4YY -0.01289 0.00513 0.00001 -0.00463 -0.00124 182 4ZZ 0.00320 0.00204 -0.00001 0.00358 -0.00166 183 4XY 0.00000 0.00000 0.00389 0.00000 0.00000 184 4XZ 0.00369 -0.00378 0.00000 0.00399 0.00011 185 4YZ -0.00002 0.00000 -0.00288 -0.00001 0.00000 186 22 H 1S 0.10661 -0.09598 -0.00002 -0.00320 0.02033 187 2S 0.03009 -0.06959 -0.00001 0.00207 0.02111 188 23 H 1S 0.11638 0.01750 -0.00009 0.08285 -0.01122 189 2S 0.04306 0.01690 -0.00005 0.04492 -0.01622 181 182 183 184 185 181 4YY 0.00343 182 4ZZ -0.00138 0.00350 183 4XY 0.00000 0.00000 0.00248 184 4XZ -0.00051 0.00014 0.00000 0.00106 185 4YZ 0.00000 0.00000 -0.00102 0.00000 0.00274 186 22 H 1S -0.01191 -0.01176 0.00000 0.00525 0.00000 187 2S -0.00689 -0.01530 0.00001 0.00339 0.00001 188 23 H 1S -0.01262 0.02042 -0.00001 0.00573 -0.00004 189 2S -0.00902 0.02416 -0.00001 0.00382 -0.00004 186 187 188 189 186 22 H 1S 0.22350 187 2S 0.17401 0.16577 188 23 H 1S -0.04299 -0.08220 0.22401 189 2S -0.08901 -0.12034 0.18437 0.19872 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05498 2 2S -0.01344 0.32634 3 2PX 0.00000 0.00000 0.35439 4 2PY 0.00000 0.00000 0.00000 0.41152 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38402 6 3S -0.03644 0.23607 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11192 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09696 10 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 11 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 12 4ZZ -0.00111 -0.00518 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S -0.00196 0.03098 0.00105 0.09691 0.00071 17 2S -0.00121 0.01238 0.00024 0.06456 0.00050 18 3 C 1S 0.00000 -0.00054 -0.00131 -0.00068 -0.00092 19 2S -0.00058 0.01134 0.02019 0.00940 0.01358 20 2PX -0.00143 0.02090 -0.00060 0.01830 0.03412 21 2PY -0.00063 0.00939 0.01795 -0.00035 0.00936 22 2PZ -0.00090 0.01263 0.03909 0.00748 0.00059 23 3S 0.00070 0.00575 0.00747 0.01241 0.00721 24 3PX -0.00061 0.01222 0.00369 0.00806 0.01434 25 3PY -0.00036 0.00250 0.01212 0.00130 0.00370 26 3PZ 0.00034 0.00197 0.01591 0.00065 0.00349 27 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 28 4YY 0.00001 -0.00046 -0.00033 -0.00027 -0.00033 29 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 30 4XY -0.00009 0.00084 0.00020 -0.00002 0.00121 31 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 32 4YZ -0.00007 0.00069 0.00124 -0.00001 0.00005 33 4 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 34 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00551 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00000 -0.00009 -0.00011 -0.00024 -0.00005 37 2PX 0.00000 -0.00001 0.00001 -0.00002 -0.00006 38 2PY 0.00000 -0.00030 -0.00025 -0.00053 -0.00010 39 2PZ 0.00000 -0.00005 -0.00008 -0.00005 0.00000 40 3S -0.00002 -0.00118 0.00136 -0.00557 0.00025 41 3PX -0.00006 0.00040 -0.00042 -0.00005 -0.00025 42 3PY 0.00010 -0.00274 0.00143 -0.00580 -0.00045 43 3PZ -0.00004 -0.00007 0.00025 0.00007 -0.00044 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00002 0.00001 0.00006 0.00002 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00002 0.00000 0.00006 0.00004 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00001 0.00005 0.00002 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 0.00013 0.00023 0.00019 0.00011 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 54 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 55 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 57 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 58 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 59 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 60 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00002 0.00000 0.00006 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 71 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 72 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 73 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 74 3S 0.00000 -0.00058 -0.00039 -0.00335 0.00006 75 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 76 3PY 0.00009 -0.00203 -0.00020 -0.00449 -0.00131 77 3PZ 0.00000 -0.00047 -0.00018 -0.00024 -0.00028 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00006 0.00001 0.00010 0.00023 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00009 0.00011 0.00014 0.00006 88 12 C 1S 0.00000 -0.00019 -0.00012 -0.00023 -0.00095 89 2S -0.00020 0.00510 0.00226 0.00422 0.01885 90 2PX -0.00009 0.00177 0.00002 0.00094 0.00651 91 2PY -0.00019 0.00370 0.00070 -0.00062 0.01253 92 2PZ -0.00117 0.02399 0.00793 0.01385 0.04488 93 3S 0.00013 0.00692 0.00566 0.00979 0.01745 94 3PX -0.00008 0.00180 -0.00001 0.00068 0.00366 95 3PY -0.00024 0.00224 0.00058 0.00036 0.00757 96 3PZ -0.00127 0.01982 0.00426 0.00818 0.01551 97 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 98 4YY 0.00000 -0.00018 -0.00003 -0.00005 -0.00029 99 4ZZ -0.00007 0.00166 0.00058 0.00107 0.00023 100 4XY 0.00000 0.00007 0.00004 0.00001 0.00021 101 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 102 4YZ -0.00005 0.00082 0.00023 0.00006 0.00129 103 13 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 104 2S 0.00020 -0.00287 -0.00585 -0.00011 -0.00246 105 14 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 106 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 109 2PX 0.00000 0.00003 0.00203 0.00028 0.00071 110 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 111 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 112 3S 0.00016 -0.00064 0.00234 0.00089 -0.00066 113 3PX 0.00003 -0.00040 0.00812 0.00149 0.00511 114 3PY 0.00000 -0.00033 0.00105 0.00025 0.00060 115 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 116 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 117 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 119 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 120 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 121 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 122 16 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 123 2S 0.00003 -0.00064 -0.00107 0.00000 -0.00122 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 130 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 131 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 132 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00002 0.00003 0.00003 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 147 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 148 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 149 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 6 7 8 9 10 6 3S 0.30042 7 3PX 0.00000 0.12493 8 3PY 0.00000 0.00000 0.05320 9 3PZ 0.00000 0.00000 0.00000 0.09658 10 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 11 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 12 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 H 1S 0.04240 0.00025 0.04296 0.00018 -0.00103 17 2S 0.02341 -0.00063 0.04178 -0.00010 -0.00176 18 3 C 1S -0.00055 -0.00101 -0.00059 -0.00032 -0.00004 19 2S 0.01144 0.01275 0.00678 0.00386 0.00057 20 2PX 0.02142 0.00244 0.00704 0.01526 -0.00099 21 2PY 0.00593 0.00818 -0.00074 0.00377 0.00080 22 2PZ 0.01307 0.02057 0.00274 0.00259 0.00132 23 3S -0.01469 -0.00314 0.00543 0.00232 0.00122 24 3PX 0.01145 0.01827 0.00361 0.01265 -0.00161 25 3PY 0.00032 0.01059 0.00089 -0.00004 0.00080 26 3PZ 0.00072 0.01513 -0.00047 0.01140 0.00174 27 4XX 0.00112 -0.00122 0.00038 0.00142 -0.00002 28 4YY -0.00075 0.00008 -0.00056 -0.00054 -0.00003 29 4ZZ -0.00045 0.00087 -0.00013 -0.00080 0.00002 30 4XY 0.00046 0.00000 0.00001 0.00025 0.00000 31 4XZ 0.00026 -0.00001 0.00009 0.00002 0.00000 32 4YZ 0.00036 0.00030 0.00001 0.00004 -0.00007 33 4 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 34 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 35 5 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 36 2S -0.00122 -0.00089 -0.00155 -0.00048 0.00000 37 2PX -0.00102 -0.00004 -0.00011 -0.00103 -0.00001 38 2PY -0.00148 -0.00124 0.00064 -0.00151 -0.00001 39 2PZ -0.00108 -0.00095 -0.00066 -0.00021 0.00001 40 3S -0.00157 0.00466 -0.00670 -0.00143 -0.00002 41 3PX -0.00090 -0.00294 0.00026 -0.00241 -0.00013 42 3PY -0.00347 0.00395 -0.00165 -0.00328 -0.00004 43 3PZ -0.00043 -0.00052 -0.00011 -0.00242 0.00017 44 4XX 0.00000 0.00010 0.00004 -0.00007 0.00000 45 4YY 0.00009 -0.00006 0.00012 0.00006 0.00000 46 4ZZ 0.00005 -0.00002 0.00000 0.00005 0.00000 47 4XY 0.00014 0.00001 0.00014 0.00012 0.00000 48 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 49 4YZ 0.00009 0.00018 0.00006 0.00002 0.00000 50 6 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 51 2S 0.00169 0.00167 0.00108 0.00063 0.00000 52 7 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 53 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 54 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 55 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 57 3S -0.00468 0.00000 -0.00139 0.00000 0.00001 58 3PX 0.00000 -0.00749 0.00000 0.00000 0.00000 59 3PY -0.00137 0.00000 0.00481 0.00000 -0.00001 60 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 61 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 62 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 63 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 64 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 67 8 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 68 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 69 9 C 1S 0.00002 0.00001 0.00005 0.00002 0.00000 70 2S -0.00040 -0.00010 -0.00095 -0.00046 0.00000 71 2PX -0.00011 -0.00004 0.00000 0.00005 0.00000 72 2PY -0.00123 -0.00020 -0.00107 -0.00158 0.00000 73 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 74 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 75 3PX -0.00034 0.00051 -0.00015 0.00022 0.00000 76 3PY -0.00425 -0.00084 -0.00384 -0.00215 -0.00003 77 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 78 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 79 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 80 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 81 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 82 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 83 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 84 10 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 85 2S 0.00004 0.00006 -0.00015 0.00192 0.00001 86 11 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 87 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 88 12 C 1S -0.00008 -0.00013 -0.00030 -0.00056 0.00000 89 2S 0.00439 0.00144 0.00326 0.01094 -0.00025 90 2PX 0.00233 0.00001 0.00013 0.00152 0.00003 91 2PY 0.00316 0.00032 -0.00169 0.00721 -0.00003 92 2PZ 0.02221 0.00380 0.00266 0.01201 -0.00056 93 3S 0.00013 0.00759 0.00648 -0.00034 -0.00076 94 3PX 0.00181 -0.00075 -0.00003 0.00123 -0.00020 95 3PY 0.00224 0.00009 -0.00188 0.00560 -0.00013 96 3PZ 0.01209 0.00264 0.00064 0.00191 -0.00046 97 4XX -0.00096 -0.00026 0.00001 0.00004 0.00002 98 4YY -0.00038 -0.00014 -0.00033 -0.00006 0.00000 99 4ZZ 0.00238 0.00065 0.00047 -0.00049 -0.00005 100 4XY 0.00004 0.00005 0.00002 0.00003 0.00000 101 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 102 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 103 13 H 1S -0.00230 -0.00206 0.00009 0.00033 0.00003 104 2S -0.01152 -0.01244 -0.00013 0.00543 0.00057 105 14 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 106 2S -0.00380 -0.00091 0.00030 -0.01807 -0.00008 107 15 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 108 2S 0.00013 -0.00038 0.00038 0.00063 0.00003 109 2PX 0.00060 0.00776 0.00085 0.00474 0.00009 110 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 111 2PZ 0.00128 0.00548 0.00059 0.00007 0.00004 112 3S 0.00125 0.00245 0.00171 0.00106 0.00037 113 3PX 0.00339 0.01264 0.00220 0.01180 0.00046 114 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 115 3PZ 0.00206 0.01155 0.00087 -0.00216 0.00026 116 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 117 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 118 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 119 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 120 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 122 16 H 1S -0.00059 -0.00157 -0.00001 -0.00084 0.00000 123 2S -0.00381 -0.00489 -0.00003 -0.00394 0.00006 124 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 125 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 126 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 127 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 128 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 129 3S -0.00008 -0.00064 -0.00001 0.00038 0.00004 130 3PX 0.00010 -0.00161 0.00158 -0.00078 0.00010 131 3PY -0.00080 0.00021 -0.00060 -0.00008 -0.00008 132 3PZ 0.00042 -0.00176 0.00093 -0.00006 0.00007 133 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 134 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 135 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 136 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 137 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 138 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 139 18 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 140 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 141 19 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 142 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 143 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 144 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 145 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 146 3S 0.00003 0.00079 0.00005 -0.00007 -0.00001 147 3PX -0.00339 -0.00510 -0.00042 -0.00053 0.00003 148 3PY -0.00013 0.00011 0.00011 -0.00002 0.00000 149 3PZ -0.00044 -0.00047 -0.00005 0.00118 0.00000 150 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 151 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 152 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 158 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 162 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 163 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 164 3PZ 0.00000 0.00000 -0.00002 0.00002 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 174 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 177 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 178 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 179 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 180 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 188 23 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 189 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 11 12 13 14 15 11 4YY 0.00186 12 4ZZ -0.00024 0.00145 13 4XY 0.00000 0.00000 0.00042 14 4XZ 0.00000 0.00000 0.00000 0.00069 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 16 2 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 17 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 18 3 C 1S 0.00002 0.00000 -0.00008 -0.00011 -0.00006 19 2S -0.00045 -0.00019 0.00083 0.00116 0.00066 20 2PX -0.00023 0.00033 0.00030 0.00033 0.00117 21 2PY -0.00025 0.00013 -0.00003 0.00096 -0.00002 22 2PZ -0.00019 -0.00071 0.00117 0.00003 0.00009 23 3S -0.00157 0.00062 0.00021 0.00039 0.00021 24 3PX -0.00022 0.00152 0.00001 -0.00002 0.00018 25 3PY -0.00043 -0.00031 0.00000 0.00016 -0.00002 26 3PZ -0.00022 -0.00113 0.00013 0.00002 0.00003 27 4XX -0.00004 0.00005 -0.00003 -0.00001 0.00000 28 4YY 0.00004 -0.00005 0.00000 -0.00005 0.00000 29 4ZZ -0.00006 0.00002 -0.00005 0.00001 -0.00002 30 4XY 0.00000 -0.00010 0.00001 -0.00001 0.00000 31 4XZ -0.00010 0.00001 0.00000 0.00003 0.00000 32 4YZ 0.00000 -0.00002 0.00001 0.00000 0.00000 33 4 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 34 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 35 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2S 0.00003 0.00000 0.00001 0.00000 0.00001 37 2PX 0.00001 0.00001 0.00000 0.00000 0.00001 38 2PY 0.00014 -0.00001 0.00006 -0.00001 0.00004 39 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 40 3S 0.00046 -0.00017 0.00008 -0.00002 0.00005 41 3PX 0.00005 0.00010 0.00000 -0.00001 0.00005 42 3PY 0.00070 -0.00027 0.00010 -0.00001 0.00006 43 3PZ -0.00004 -0.00007 0.00004 0.00001 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 46 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S -0.00002 0.00000 0.00000 0.00000 0.00000 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00000 0.00000 0.00000 0.00000 54 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 55 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 56 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 3S 0.00002 0.00001 0.00000 0.00000 0.00000 58 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 59 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 60 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 61 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00000 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00001 0.00000 0.00000 0.00000 0.00001 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 75 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 76 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 77 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00001 0.00001 0.00000 0.00000 0.00000 88 12 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 89 2S -0.00028 0.00173 0.00008 0.00027 0.00071 90 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 91 2PY -0.00005 0.00112 0.00000 0.00016 0.00007 92 2PZ -0.00047 -0.00015 0.00023 0.00037 0.00126 93 3S -0.00148 0.00324 0.00007 0.00015 0.00037 94 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 95 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 96 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 97 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 98 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 99 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 100 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 101 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 102 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 104 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 105 14 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 106 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00002 0.00000 109 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 112 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 113 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 114 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 115 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00002 0.00003 0.00000 0.00002 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 130 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 131 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 132 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21713 17 2S 0.11577 0.16496 18 3 C 1S 0.00000 0.00019 2.05271 19 2S -0.00019 -0.00267 -0.01361 0.32497 20 2PX -0.00019 -0.00255 0.00000 0.00000 0.36894 21 2PY -0.00048 -0.00652 0.00000 0.00000 0.00000 22 2PZ -0.00007 -0.00039 0.00000 0.00000 0.00000 23 3S -0.00450 -0.01535 -0.02960 0.20114 0.00000 24 3PX -0.00158 -0.00581 0.00000 0.00000 0.10335 25 3PY -0.00036 -0.00204 0.00000 0.00000 0.00000 26 3PZ -0.00043 -0.00017 0.00000 0.00000 0.00000 27 4XX -0.00001 -0.00025 -0.00113 -0.00673 0.00000 28 4YY 0.00009 0.00097 -0.00134 -0.00219 0.00000 29 4ZZ -0.00001 -0.00025 -0.00128 -0.00379 0.00000 30 4XY 0.00004 0.00009 0.00000 0.00000 0.00000 31 4XZ -0.00001 -0.00008 0.00000 0.00000 0.00000 32 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00105 -0.00198 0.03084 0.02438 34 2S -0.00104 -0.00590 -0.00120 0.01190 0.01603 35 5 C 1S 0.00000 0.00000 0.00000 -0.00047 0.00000 36 2S 0.00000 0.00013 -0.00047 0.00970 0.00000 37 2PX 0.00000 0.00003 0.00000 0.00000 0.01116 38 2PY 0.00000 0.00051 -0.00258 0.04008 0.00000 39 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 40 3S 0.00015 0.00219 -0.00027 0.01148 0.00000 41 3PX 0.00000 0.00017 0.00000 0.00000 0.01911 42 3PY 0.00033 0.00392 -0.00172 0.02370 0.00000 43 3PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 44 4XX 0.00000 0.00000 0.00000 -0.00042 0.00000 45 4YY 0.00000 -0.00001 -0.00026 0.00362 0.00000 46 4ZZ 0.00000 -0.00001 0.00000 -0.00047 0.00000 47 4XY 0.00000 -0.00001 0.00000 0.00000 0.00201 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00000 0.00000 0.00000 -0.00017 -0.00007 51 2S 0.00000 -0.00014 0.00019 -0.00265 -0.00091 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00002 0.00000 -0.00009 -0.00001 54 2PX 0.00000 0.00000 0.00000 -0.00011 0.00001 55 2PY 0.00000 0.00006 0.00000 -0.00024 -0.00002 56 2PZ 0.00000 0.00000 0.00000 -0.00005 -0.00006 57 3S 0.00000 0.00020 0.00004 -0.00122 -0.00102 58 3PX 0.00000 0.00003 0.00004 -0.00090 -0.00004 59 3PY -0.00003 -0.00016 0.00006 -0.00155 -0.00010 60 3PZ 0.00000 0.00001 0.00003 -0.00048 -0.00104 61 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 62 4YY 0.00000 0.00000 0.00000 0.00003 0.00001 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 64 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00001 0.00001 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 0.00013 0.00003 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00006 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00029 0.00000 0.00000 -0.00002 73 2PZ 0.00000 0.00004 0.00000 -0.00001 0.00001 74 3S 0.00007 0.00130 0.00002 -0.00039 -0.00025 75 3PX 0.00000 0.00003 0.00000 -0.00005 0.00000 76 3PY 0.00023 0.00301 0.00001 -0.00022 -0.00053 77 3PZ 0.00000 0.00018 0.00002 -0.00032 0.00017 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 -0.00011 0.00000 0.00001 -0.00002 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00015 0.00000 0.00000 0.00001 88 12 C 1S 0.00000 0.00016 0.00000 0.00000 0.00000 89 2S -0.00013 -0.00247 0.00000 -0.00004 -0.00005 90 2PX -0.00001 -0.00020 0.00000 -0.00007 0.00000 91 2PY -0.00028 -0.00445 0.00000 0.00000 0.00000 92 2PZ -0.00025 -0.00432 0.00000 -0.00017 -0.00032 93 3S -0.00400 -0.01622 0.00004 -0.00076 0.00005 94 3PX -0.00014 -0.00051 0.00004 -0.00065 0.00002 95 3PY -0.00097 -0.00526 0.00000 0.00004 0.00002 96 3PZ -0.00282 -0.00974 0.00012 -0.00217 -0.00313 97 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 98 4YY 0.00004 0.00065 0.00000 0.00000 0.00000 99 4ZZ -0.00001 -0.00038 0.00000 0.00000 0.00004 100 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 101 4XZ 0.00000 -0.00001 0.00000 0.00001 -0.00001 102 4YZ 0.00004 0.00010 0.00000 0.00000 0.00000 103 13 H 1S -0.00001 -0.00027 0.00000 0.00000 0.00000 104 2S -0.00039 -0.00001 0.00000 0.00015 -0.00001 105 14 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 106 2S -0.00017 -0.00034 0.00000 -0.00006 0.00013 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00009 0.00000 0.00000 -0.00002 109 2PX -0.00001 -0.00061 0.00000 -0.00002 -0.00008 110 2PY -0.00001 -0.00044 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00017 0.00000 0.00000 0.00000 112 3S -0.00055 -0.00322 0.00001 -0.00021 -0.00140 113 3PX -0.00060 -0.00284 0.00004 -0.00065 -0.00045 114 3PY 0.00020 0.00071 0.00000 0.00000 -0.00001 115 3PZ -0.00018 -0.00110 0.00000 -0.00006 -0.00019 116 4XX 0.00000 -0.00002 0.00000 0.00000 0.00001 117 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 -0.00011 0.00000 0.00000 -0.00001 123 2S -0.00011 -0.00015 0.00000 -0.00003 -0.00048 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00001 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00001 0.00000 0.00000 -0.00003 127 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00001 0.00040 0.00000 -0.00005 -0.00055 130 3PX -0.00001 0.00008 0.00000 -0.00017 -0.00188 131 3PY 0.00003 0.00045 0.00000 -0.00002 0.00051 132 3PZ 0.00000 0.00007 0.00000 0.00000 -0.00014 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00003 0.00000 0.00000 0.00011 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00002 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00026 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00011 0.00000 0.00000 0.00001 148 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 150 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 177 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 178 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.41338 22 2PZ 0.00000 0.39021 23 3S 0.00000 0.00000 0.25001 24 3PX 0.00000 0.00000 0.00000 0.11994 25 3PY 0.07886 0.00000 0.00000 0.00000 0.06235 26 3PZ 0.00000 0.09563 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00354 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00197 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00154 0.00000 0.00000 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.02398 0.04953 0.04347 0.00829 0.00998 34 2S 0.01551 0.03428 0.03824 0.00518 0.00737 35 5 C 1S -0.00258 0.00000 -0.00027 0.00000 -0.00172 36 2S 0.04008 0.00000 0.01147 0.00000 0.02368 37 2PX 0.00000 0.00000 0.00000 0.01910 0.00000 38 2PY 0.09681 0.00000 0.03099 0.00000 0.01764 39 2PZ 0.00000 0.00839 -0.00001 0.00000 0.00000 40 3S 0.03097 0.00001 -0.00963 0.00000 0.00843 41 3PX 0.00000 0.00000 0.00000 0.02602 0.00001 42 3PY 0.01764 0.00000 0.00846 -0.00001 0.00146 43 3PZ 0.00001 0.01654 -0.00001 0.00000 0.00000 44 4XX -0.00106 0.00000 -0.00148 0.00000 -0.00162 45 4YY 0.00223 0.00000 0.00401 0.00000 0.00113 46 4ZZ -0.00112 0.00000 -0.00135 0.00000 -0.00110 47 4XY 0.00000 0.00000 0.00000 0.00097 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00210 0.00000 0.00000 0.00000 50 6 H 1S -0.00057 -0.00007 -0.00417 0.00012 -0.00334 51 2S -0.00840 -0.00152 -0.01700 0.00059 -0.01421 52 7 C 1S 0.00000 0.00000 -0.00002 -0.00006 0.00010 53 2S -0.00030 -0.00005 -0.00118 0.00040 -0.00274 54 2PX -0.00025 -0.00008 0.00136 -0.00041 0.00142 55 2PY -0.00052 -0.00005 -0.00557 -0.00006 -0.00578 56 2PZ -0.00010 0.00000 0.00025 -0.00025 -0.00046 57 3S -0.00147 -0.00108 -0.00157 -0.00090 -0.00347 58 3PX -0.00125 -0.00095 0.00466 -0.00291 0.00393 59 3PY 0.00064 -0.00066 -0.00669 0.00028 -0.00163 60 3PZ -0.00151 -0.00021 -0.00143 -0.00242 -0.00328 61 4XX -0.00001 0.00001 -0.00002 -0.00013 -0.00004 62 4YY 0.00014 0.00000 0.00046 0.00005 0.00070 63 4ZZ -0.00001 0.00000 -0.00017 0.00010 -0.00027 64 4XY 0.00006 0.00001 0.00008 0.00000 0.00010 65 4XZ -0.00001 0.00000 -0.00002 -0.00001 -0.00001 66 4YZ 0.00004 0.00000 0.00005 0.00005 0.00006 67 8 H 1S 0.00000 0.00000 0.00015 0.00000 0.00033 68 2S 0.00051 0.00001 0.00219 0.00018 0.00392 69 9 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 70 2S 0.00000 -0.00001 -0.00036 0.00006 -0.00018 71 2PX 0.00000 -0.00001 -0.00014 0.00004 -0.00033 72 2PY 0.00001 0.00000 -0.00023 -0.00038 0.00008 73 2PZ -0.00002 -0.00002 -0.00137 -0.00006 -0.00076 74 3S -0.00036 -0.00017 -0.00468 -0.00148 -0.00259 75 3PX -0.00003 -0.00005 -0.00064 0.00000 -0.00082 76 3PY 0.00010 0.00006 -0.00149 -0.00157 0.00001 77 3PZ -0.00075 -0.00016 -0.00523 -0.00028 -0.00249 78 4XX 0.00000 0.00000 0.00004 0.00001 0.00003 79 4YY 0.00000 0.00000 0.00001 0.00001 0.00003 80 4ZZ 0.00000 0.00000 -0.00005 -0.00002 -0.00009 81 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 82 4XZ 0.00000 0.00000 0.00000 0.00001 0.00001 83 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 84 10 H 1S 0.00000 0.00000 0.00004 0.00000 -0.00002 85 2S -0.00001 0.00010 0.00052 -0.00015 -0.00030 86 11 H 1S 0.00000 0.00000 0.00001 0.00001 0.00002 87 2S 0.00001 -0.00001 0.00036 0.00036 0.00040 88 12 C 1S 0.00000 0.00000 0.00002 0.00001 0.00000 89 2S 0.00000 -0.00015 -0.00042 0.00002 -0.00004 90 2PX 0.00000 -0.00022 -0.00082 0.00015 -0.00008 91 2PY 0.00000 0.00000 -0.00002 -0.00002 0.00019 92 2PZ 0.00000 -0.00022 -0.00010 -0.00079 -0.00014 93 3S 0.00002 -0.00378 0.00248 0.00383 -0.00019 94 3PX -0.00002 -0.00115 -0.00096 0.00004 -0.00014 95 3PY 0.00013 0.00009 0.00010 -0.00003 0.00105 96 3PZ 0.00004 -0.00217 0.00150 -0.00198 -0.00017 97 4XX 0.00000 0.00002 0.00006 -0.00008 0.00001 98 4YY 0.00000 0.00000 -0.00007 -0.00007 0.00000 99 4ZZ 0.00000 -0.00001 0.00005 0.00033 -0.00001 100 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 101 4XZ 0.00000 0.00008 0.00006 -0.00006 0.00001 102 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 103 13 H 1S 0.00000 0.00000 0.00005 -0.00005 0.00005 104 2S 0.00002 0.00041 0.00079 -0.00100 0.00048 105 14 H 1S 0.00000 -0.00001 -0.00011 0.00013 -0.00002 106 2S 0.00000 -0.00054 -0.00080 0.00059 -0.00011 107 15 C 1S 0.00000 0.00000 0.00001 0.00006 0.00000 108 2S 0.00000 0.00000 -0.00029 -0.00143 0.00000 109 2PX 0.00000 0.00000 0.00030 -0.00168 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 111 2PZ 0.00000 0.00000 -0.00001 -0.00008 0.00000 112 3S 0.00000 -0.00006 -0.00021 -0.00783 0.00001 113 3PX 0.00000 0.00001 0.00036 -0.00255 0.00001 114 3PY -0.00001 0.00000 0.00000 -0.00002 -0.00005 115 3PZ 0.00000 -0.00011 0.00007 -0.00044 0.00000 116 4XX 0.00000 0.00000 -0.00004 0.00027 0.00000 117 4YY 0.00000 0.00000 0.00001 -0.00003 0.00000 118 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 120 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 -0.00008 -0.00081 0.00003 123 2S 0.00002 -0.00005 -0.00017 -0.00194 0.00021 124 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 125 2S 0.00000 0.00000 0.00003 -0.00038 -0.00004 126 2PX 0.00000 0.00000 -0.00037 -0.00238 -0.00037 127 2PY 0.00000 0.00000 0.00001 0.00019 -0.00001 128 2PZ 0.00000 0.00000 -0.00002 -0.00018 -0.00002 129 3S -0.00007 -0.00003 -0.00076 -0.00414 -0.00081 130 3PX -0.00021 -0.00012 -0.00190 -0.00955 -0.00164 131 3PY 0.00001 0.00004 -0.00002 0.00281 0.00000 132 3PZ -0.00002 0.00020 -0.00020 -0.00095 -0.00013 133 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 134 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 135 4ZZ 0.00000 0.00000 0.00001 0.00003 0.00000 136 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 137 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00002 0.00006 0.00002 140 2S 0.00000 0.00003 0.00017 0.00120 0.00023 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00024 0.00001 147 3PX 0.00000 0.00000 0.00008 0.00030 0.00004 148 3PY 0.00000 0.00000 -0.00002 -0.00003 0.00001 149 3PZ 0.00000 0.00000 -0.00003 -0.00005 0.00000 150 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00002 0.00006 0.00001 162 3PX 0.00000 0.00000 0.00004 0.00032 0.00005 163 3PY 0.00000 0.00000 0.00001 0.00002 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 -0.00004 0.00000 177 3PX 0.00000 0.00000 0.00000 -0.00003 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 -0.00005 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00001 -0.00005 0.00000 26 27 28 29 30 26 3PZ 0.09323 27 4XX 0.00000 0.00092 28 4YY 0.00000 -0.00008 0.00114 29 4ZZ 0.00000 0.00007 -0.00007 0.00089 30 4XY 0.00000 0.00000 0.00000 0.00000 0.00095 31 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 4 H 1S 0.02194 -0.00039 -0.00082 0.00160 0.00113 34 2S 0.02136 0.00026 -0.00135 0.00255 0.00027 35 5 C 1S 0.00000 0.00000 -0.00026 0.00000 0.00000 36 2S 0.00000 -0.00042 0.00361 -0.00047 0.00000 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00201 38 2PY -0.00001 -0.00106 0.00223 -0.00112 0.00000 39 2PZ 0.01656 0.00000 0.00000 0.00000 0.00000 40 3S 0.00001 -0.00148 0.00401 -0.00135 0.00000 41 3PX 0.00000 0.00000 0.00000 0.00000 0.00097 42 3PY 0.00000 -0.00163 0.00113 -0.00110 0.00000 43 3PZ 0.02466 0.00000 0.00000 0.00000 0.00000 44 4XX 0.00000 0.00001 -0.00004 0.00001 0.00000 45 4YY 0.00000 -0.00004 -0.00008 -0.00004 0.00000 46 4ZZ 0.00000 0.00001 -0.00004 0.00002 0.00000 47 4XY 0.00000 0.00000 0.00000 0.00000 -0.00012 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00084 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00019 0.00000 0.00002 0.00000 0.00003 51 2S -0.00032 0.00011 -0.00017 0.00014 0.00012 52 7 C 1S -0.00004 0.00000 0.00000 0.00000 0.00000 53 2S -0.00007 0.00000 0.00002 0.00000 0.00002 54 2PX 0.00025 0.00000 0.00001 0.00000 0.00000 55 2PY 0.00006 0.00000 0.00006 0.00000 0.00006 56 2PZ -0.00044 0.00000 0.00002 0.00000 0.00004 57 3S -0.00043 0.00000 0.00009 0.00005 0.00014 58 3PX -0.00051 0.00010 -0.00006 -0.00002 0.00001 59 3PY -0.00011 0.00004 0.00012 0.00000 0.00014 60 3PZ -0.00241 -0.00007 0.00006 0.00005 0.00012 61 4XX 0.00017 0.00000 0.00000 0.00000 0.00000 62 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 63 4ZZ -0.00007 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00004 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00004 0.00000 -0.00001 -0.00001 -0.00001 69 9 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 70 2S -0.00043 0.00000 0.00000 0.00000 0.00000 71 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00010 0.00000 0.00000 0.00000 0.00000 73 2PZ -0.00117 0.00000 0.00000 0.00000 0.00000 74 3S -0.00056 -0.00002 0.00003 0.00003 0.00000 75 3PX 0.00000 -0.00001 0.00000 0.00001 0.00000 76 3PY 0.00079 -0.00003 0.00004 -0.00002 0.00000 77 3PZ -0.00211 0.00001 -0.00002 0.00003 -0.00003 78 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 79 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 81 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 82 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00010 0.00000 0.00000 0.00000 0.00000 85 2S 0.00142 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00009 0.00000 0.00000 0.00000 0.00000 88 12 C 1S 0.00012 0.00000 0.00000 0.00000 0.00000 89 2S -0.00177 0.00000 0.00000 0.00001 0.00000 90 2PX -0.00219 0.00000 0.00000 0.00002 0.00000 91 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00070 0.00001 0.00000 0.00006 0.00000 93 3S -0.00949 0.00010 -0.00012 0.00019 0.00000 94 3PX -0.00300 0.00000 -0.00003 0.00015 0.00000 95 3PY 0.00014 0.00000 0.00000 -0.00001 -0.00003 96 3PZ 0.00127 0.00004 -0.00015 0.00050 -0.00001 97 4XX 0.00026 0.00000 0.00000 0.00000 0.00000 98 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 99 4ZZ -0.00022 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00029 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00015 0.00000 0.00000 0.00000 0.00000 104 2S 0.00247 -0.00001 0.00000 -0.00001 0.00000 105 14 H 1S -0.00096 0.00000 0.00000 0.00000 0.00000 106 2S -0.00405 0.00002 0.00000 -0.00004 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00004 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00016 0.00001 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 112 3S -0.00039 0.00005 -0.00002 0.00000 0.00000 113 3PX -0.00020 0.00034 -0.00007 -0.00008 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 115 3PZ 0.00051 0.00003 0.00000 0.00000 0.00000 116 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00026 0.00000 0.00000 0.00000 0.00000 123 2S -0.00063 -0.00004 0.00000 0.00002 -0.00001 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S -0.00003 0.00000 0.00000 0.00000 0.00000 126 2PX -0.00012 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00015 0.00000 0.00000 0.00000 0.00000 129 3S -0.00022 0.00000 0.00000 0.00000 -0.00001 130 3PX -0.00060 0.00000 -0.00001 0.00000 0.00001 131 3PY 0.00017 0.00000 0.00001 0.00000 0.00000 132 3PZ 0.00122 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00027 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00002 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00002 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 164 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 4XZ 0.00067 32 4YZ 0.00000 0.00117 33 4 H 1S 0.00172 0.00226 0.21693 34 2S 0.00030 0.00052 0.11783 0.17165 35 5 C 1S 0.00000 0.00000 0.00000 0.00019 2.05271 36 2S 0.00000 0.00000 -0.00017 -0.00265 -0.01361 37 2PX 0.00000 0.00000 -0.00007 -0.00091 0.00000 38 2PY 0.00000 0.00000 -0.00057 -0.00839 0.00000 39 2PZ 0.00000 0.00210 -0.00007 -0.00153 0.00000 40 3S 0.00000 0.00000 -0.00417 -0.01699 -0.02961 41 3PX 0.00000 0.00000 0.00012 0.00059 0.00000 42 3PY 0.00000 0.00000 -0.00334 -0.01421 0.00000 43 3PZ 0.00000 0.00085 0.00018 -0.00034 0.00000 44 4XX 0.00000 0.00000 0.00000 0.00011 -0.00113 45 4YY 0.00000 0.00000 0.00002 -0.00017 -0.00134 46 4ZZ 0.00000 0.00000 0.00000 0.00014 -0.00127 47 4XY 0.00000 0.00000 0.00003 0.00012 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 -0.00022 0.00005 0.00026 0.00000 50 6 H 1S 0.00000 0.00005 -0.00001 -0.00093 -0.00198 51 2S 0.00000 0.00026 -0.00093 -0.00553 -0.00120 52 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00001 0.00000 0.00013 -0.00054 54 2PX 0.00000 0.00005 0.00000 0.00023 -0.00132 55 2PY 0.00000 0.00002 0.00000 0.00019 -0.00067 56 2PZ 0.00000 0.00000 0.00000 0.00011 -0.00092 57 3S 0.00000 0.00009 0.00011 0.00169 -0.00055 58 3PX 0.00000 0.00018 0.00012 0.00167 -0.00102 59 3PY 0.00001 0.00006 0.00006 0.00108 -0.00058 60 3PZ 0.00000 0.00002 0.00007 0.00063 -0.00032 61 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 62 4YY 0.00000 0.00000 0.00000 -0.00002 0.00002 63 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 -0.00008 65 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00012 66 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00006 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00000 0.00000 -0.00014 0.00019 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00001 -0.00004 0.00000 -0.00001 0.00004 75 3PX 0.00000 -0.00001 0.00000 -0.00005 0.00004 76 3PY -0.00002 0.00001 0.00000 -0.00001 0.00000 77 3PZ 0.00000 -0.00001 0.00000 -0.00008 0.00012 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 0.00002 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00000 0.00008 0.00000 90 2PX 0.00001 0.00000 0.00000 0.00009 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 92 2PZ 0.00005 0.00000 0.00000 0.00033 0.00000 93 3S 0.00008 -0.00001 0.00008 0.00142 0.00002 94 3PX 0.00001 0.00000 0.00002 0.00048 0.00000 95 3PY 0.00000 -0.00001 0.00001 0.00015 0.00001 96 3PZ 0.00018 0.00000 0.00020 0.00283 0.00002 97 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 -0.00019 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 -0.00001 0.00000 -0.00005 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00009 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 112 3S 0.00000 0.00000 0.00001 0.00027 0.00000 113 3PX 0.00000 0.00000 0.00001 0.00048 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 115 3PZ 0.00000 0.00000 -0.00002 -0.00021 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00003 0.00027 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 -0.00007 0.00001 130 3PX 0.00000 0.00000 0.00000 -0.00003 0.00004 131 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00004 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00002 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.32494 37 2PX 0.00000 0.36898 38 2PY 0.00000 0.00000 0.41333 39 2PZ 0.00000 0.00000 0.00000 0.39025 40 3S 0.20118 0.00000 0.00000 0.00000 0.25018 41 3PX 0.00000 0.10337 0.00000 0.00000 0.00000 42 3PY 0.00000 0.00000 0.07887 0.00000 0.00000 43 3PZ 0.00000 0.00000 0.00000 0.09571 0.00000 44 4XX -0.00672 0.00000 0.00000 0.00000 -0.00354 45 4YY -0.00218 0.00000 0.00000 0.00000 -0.00195 46 4ZZ -0.00380 0.00000 0.00000 0.00000 -0.00155 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.03084 0.02434 0.02413 0.04942 0.04348 51 2S 0.01191 0.01599 0.01561 0.03421 0.03825 52 7 C 1S -0.00058 -0.00143 -0.00062 -0.00090 0.00070 53 2S 0.01133 0.02095 0.00932 0.01263 0.00573 54 2PX 0.02023 -0.00055 0.01787 0.03921 0.00752 55 2PY 0.00933 0.01821 -0.00038 0.00743 0.01234 56 2PZ 0.01359 0.03422 0.00930 0.00060 0.00723 57 3S 0.01142 0.02148 0.00587 0.01306 -0.01479 58 3PX 0.01278 0.00240 0.00815 0.02064 -0.00311 59 3PY 0.00673 0.00700 -0.00072 0.00273 0.00538 60 3PZ 0.00387 0.01530 0.00375 0.00258 0.00231 61 4XX 0.00058 -0.00099 0.00080 0.00134 0.00123 62 4YY -0.00045 -0.00024 -0.00025 -0.00020 -0.00158 63 4ZZ -0.00019 0.00034 0.00013 -0.00071 0.00062 64 4XY 0.00082 0.00030 -0.00003 0.00116 0.00021 65 4XZ 0.00116 0.00034 0.00095 0.00003 0.00039 66 4YZ 0.00065 0.00116 -0.00001 0.00009 0.00020 67 8 H 1S -0.00019 -0.00019 -0.00047 -0.00007 -0.00450 68 2S -0.00267 -0.00256 -0.00650 -0.00039 -0.01535 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 70 2S -0.00004 -0.00005 0.00000 -0.00015 -0.00042 71 2PX -0.00007 0.00000 0.00000 -0.00022 -0.00083 72 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 73 2PZ -0.00017 -0.00033 0.00000 -0.00022 -0.00011 74 3S -0.00076 0.00005 0.00002 -0.00379 0.00249 75 3PX -0.00064 0.00002 -0.00002 -0.00115 -0.00096 76 3PY 0.00003 0.00002 0.00013 0.00009 0.00009 77 3PZ -0.00216 -0.00313 0.00004 -0.00216 0.00151 78 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 79 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 80 4ZZ 0.00000 0.00004 0.00000 -0.00001 0.00005 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00001 -0.00001 0.00000 0.00008 0.00006 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00011 85 2S -0.00006 0.00013 0.00000 -0.00054 -0.00081 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 87 2S 0.00015 -0.00001 0.00002 0.00041 0.00079 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 89 2S 0.00000 0.00000 0.00000 -0.00001 -0.00036 90 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00014 91 2PY 0.00000 -0.00002 0.00001 0.00000 -0.00023 92 2PZ -0.00001 0.00001 -0.00002 -0.00002 -0.00137 93 3S -0.00039 -0.00025 -0.00037 -0.00016 -0.00468 94 3PX -0.00005 0.00000 -0.00004 -0.00005 -0.00064 95 3PY -0.00022 -0.00053 0.00010 0.00006 -0.00149 96 3PZ -0.00032 0.00017 -0.00076 -0.00016 -0.00522 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00004 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00005 100 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 104 2S 0.00000 0.00001 0.00001 -0.00001 0.00036 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00004 106 2S 0.00001 -0.00002 -0.00001 0.00010 0.00051 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00003 109 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00037 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 112 3S -0.00005 -0.00055 -0.00007 -0.00003 -0.00077 113 3PX -0.00017 -0.00188 -0.00021 -0.00012 -0.00191 114 3PY -0.00002 0.00051 0.00001 0.00004 -0.00001 115 3PZ 0.00000 -0.00014 -0.00002 0.00020 -0.00021 116 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 123 2S 0.00000 0.00011 0.00000 0.00003 0.00017 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 125 2S 0.00000 -0.00002 0.00000 0.00000 -0.00029 126 2PX -0.00002 -0.00008 0.00000 0.00000 0.00029 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 129 3S -0.00022 -0.00141 0.00000 -0.00006 -0.00023 130 3PX -0.00065 -0.00046 0.00000 0.00001 0.00033 131 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 132 3PZ -0.00006 -0.00019 0.00000 -0.00011 0.00006 133 4XX 0.00000 0.00001 0.00000 0.00000 -0.00004 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00007 140 2S -0.00003 -0.00049 0.00002 -0.00005 -0.00016 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00002 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00001 0.00000 0.00000 0.00008 163 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 41 42 43 44 45 41 3PX 0.12006 42 3PY 0.00000 0.06239 43 3PZ 0.00000 0.00000 0.09333 44 4XX 0.00000 0.00000 0.00000 0.00092 45 4YY 0.00000 0.00000 0.00000 -0.00008 0.00114 46 4ZZ 0.00000 0.00000 0.00000 0.00007 -0.00006 47 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 6 H 1S 0.00827 0.01004 0.02189 -0.00039 -0.00082 51 2S 0.00515 0.00742 0.02133 0.00025 -0.00134 52 7 C 1S -0.00061 -0.00036 0.00035 -0.00003 0.00001 53 2S 0.01225 0.00248 0.00195 0.00051 -0.00046 54 2PX 0.00364 0.01208 0.01597 -0.00076 -0.00034 55 2PY 0.00804 0.00133 0.00064 0.00066 -0.00027 56 2PZ 0.01439 0.00368 0.00348 0.00099 -0.00033 57 3S 0.01147 0.00030 0.00067 0.00113 -0.00076 58 3PX 0.01819 0.01056 0.01520 -0.00122 0.00007 59 3PY 0.00358 0.00090 -0.00047 0.00038 -0.00056 60 3PZ 0.01267 -0.00004 0.01138 0.00142 -0.00054 61 4XX -0.00161 0.00080 0.00174 -0.00002 -0.00003 62 4YY -0.00023 -0.00043 -0.00022 -0.00004 0.00004 63 4ZZ 0.00152 -0.00031 -0.00113 0.00005 -0.00005 64 4XY 0.00001 0.00000 0.00013 -0.00003 0.00000 65 4XZ -0.00002 0.00016 0.00002 -0.00001 -0.00005 66 4YZ 0.00018 -0.00002 0.00003 0.00000 0.00000 67 8 H 1S -0.00159 -0.00036 -0.00043 -0.00001 0.00009 68 2S -0.00583 -0.00202 -0.00017 -0.00026 0.00097 69 9 C 1S 0.00001 0.00000 0.00012 0.00000 0.00000 70 2S 0.00002 -0.00003 -0.00177 0.00000 0.00000 71 2PX 0.00015 -0.00008 -0.00219 0.00000 0.00000 72 2PY -0.00002 0.00019 0.00001 0.00000 0.00000 73 2PZ -0.00079 -0.00014 0.00070 0.00001 0.00000 74 3S 0.00384 -0.00018 -0.00951 0.00010 -0.00012 75 3PX 0.00004 -0.00013 -0.00300 0.00000 -0.00003 76 3PY -0.00002 0.00105 0.00013 0.00000 0.00000 77 3PZ -0.00198 -0.00016 0.00127 0.00004 -0.00015 78 4XX -0.00008 0.00001 0.00026 0.00000 0.00000 79 4YY -0.00007 0.00000 -0.00002 0.00000 0.00000 80 4ZZ 0.00033 -0.00001 -0.00022 0.00000 0.00000 81 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 82 4XZ -0.00006 0.00001 0.00029 0.00000 0.00000 83 4YZ 0.00000 -0.00005 0.00000 0.00000 0.00000 84 10 H 1S 0.00013 -0.00002 -0.00097 0.00000 0.00000 85 2S 0.00059 -0.00011 -0.00406 0.00002 0.00000 86 11 H 1S -0.00005 0.00005 0.00015 0.00000 0.00000 87 2S -0.00099 0.00047 0.00248 -0.00001 0.00000 88 12 C 1S 0.00000 0.00001 0.00001 0.00000 0.00000 89 2S 0.00006 -0.00018 -0.00042 0.00000 0.00000 90 2PX 0.00004 -0.00033 -0.00003 0.00000 0.00000 91 2PY -0.00038 0.00008 0.00010 0.00000 0.00000 92 2PZ -0.00006 -0.00076 -0.00116 0.00000 0.00000 93 3S -0.00148 -0.00260 -0.00055 -0.00002 0.00003 94 3PX 0.00000 -0.00082 0.00000 -0.00001 0.00000 95 3PY -0.00158 0.00001 0.00079 -0.00003 0.00004 96 3PZ -0.00027 -0.00250 -0.00210 0.00001 -0.00002 97 4XX 0.00001 0.00003 0.00004 0.00000 0.00000 98 4YY 0.00001 0.00003 -0.00005 0.00000 0.00000 99 4ZZ -0.00002 -0.00009 0.00001 0.00000 0.00000 100 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 101 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00000 102 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 103 13 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 104 2S 0.00036 0.00040 -0.00010 0.00000 0.00000 105 14 H 1S 0.00000 -0.00002 0.00010 0.00000 0.00000 106 2S -0.00015 -0.00030 0.00142 0.00000 0.00000 107 15 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 108 2S -0.00038 -0.00004 -0.00003 0.00000 0.00000 109 2PX -0.00239 -0.00037 -0.00012 0.00000 0.00000 110 2PY 0.00020 -0.00001 0.00002 0.00000 0.00000 111 2PZ -0.00018 -0.00002 0.00015 0.00000 0.00000 112 3S -0.00413 -0.00081 -0.00023 0.00000 0.00000 113 3PX -0.00958 -0.00165 -0.00061 0.00000 -0.00001 114 3PY 0.00283 0.00000 0.00017 0.00000 0.00001 115 3PZ -0.00097 -0.00014 0.00122 0.00000 0.00000 116 4XX -0.00001 -0.00001 0.00000 0.00000 0.00000 117 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 119 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00006 0.00002 0.00000 0.00000 0.00000 123 2S 0.00120 0.00023 0.00028 0.00000 0.00000 124 17 C 1S 0.00006 0.00000 0.00000 0.00000 0.00000 125 2S -0.00144 0.00000 -0.00004 0.00000 0.00000 126 2PX -0.00170 0.00000 -0.00016 0.00001 0.00000 127 2PY -0.00001 -0.00003 0.00000 0.00000 0.00000 128 2PZ -0.00008 0.00000 0.00001 0.00000 0.00000 129 3S -0.00790 0.00001 -0.00039 0.00005 -0.00002 130 3PX -0.00260 0.00001 -0.00020 0.00034 -0.00007 131 3PY -0.00002 -0.00005 0.00000 0.00000 0.00000 132 3PZ -0.00045 0.00000 0.00051 0.00003 0.00000 133 4XX 0.00027 0.00000 0.00003 0.00000 0.00000 134 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 135 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 137 4XZ 0.00002 0.00000 -0.00001 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S -0.00081 0.00003 -0.00026 0.00000 0.00000 140 2S -0.00194 0.00021 -0.00063 -0.00004 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00006 0.00001 0.00000 0.00000 0.00000 147 3PX 0.00032 0.00005 -0.00003 0.00000 0.00000 148 3PY 0.00002 0.00000 0.00001 0.00000 0.00000 149 3PZ -0.00004 0.00000 -0.00001 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00024 0.00001 -0.00003 0.00000 0.00000 162 3PX 0.00030 0.00004 0.00002 0.00000 0.00000 163 3PY -0.00003 0.00001 0.00000 0.00000 0.00000 164 3PZ -0.00005 0.00000 0.00003 0.00000 0.00000 165 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00004 0.00000 0.00000 0.00000 0.00000 177 3PX -0.00003 0.00000 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ -0.00005 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00005 0.00000 0.00001 0.00000 0.00000 46 47 48 49 50 46 4ZZ 0.00089 47 4XY 0.00000 0.00095 48 4XZ 0.00000 0.00000 0.00067 49 4YZ 0.00000 0.00000 0.00000 0.00117 50 6 H 1S 0.00159 0.00114 0.00171 0.00226 0.21693 51 2S 0.00254 0.00027 0.00030 0.00053 0.11782 52 7 C 1S 0.00000 -0.00008 -0.00009 -0.00007 0.00000 53 2S 0.00001 0.00083 0.00097 0.00068 -0.00020 54 2PX 0.00041 0.00020 0.00031 0.00123 -0.00035 55 2PY 0.00025 -0.00002 0.00104 -0.00001 0.00000 56 2PZ -0.00055 0.00121 -0.00005 0.00005 -0.00037 57 3S -0.00044 0.00045 0.00026 0.00036 -0.00410 58 3PX 0.00087 0.00000 -0.00001 0.00030 -0.00228 59 3PY -0.00013 0.00002 0.00009 0.00001 -0.00011 60 3PZ -0.00080 0.00025 0.00002 0.00004 -0.00102 61 4XX 0.00002 0.00000 0.00000 -0.00007 0.00002 62 4YY -0.00006 0.00000 -0.00010 0.00000 -0.00001 63 4ZZ 0.00002 -0.00010 0.00001 -0.00002 0.00006 64 4XY -0.00005 0.00001 0.00000 0.00001 0.00000 65 4XZ 0.00001 -0.00001 0.00003 0.00000 0.00005 66 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00001 0.00004 -0.00001 0.00002 -0.00001 68 2S -0.00025 0.00009 -0.00008 0.00008 -0.00105 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00001 0.00000 0.00001 0.00000 0.00000 71 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00006 0.00000 0.00005 0.00000 0.00000 74 3S 0.00018 0.00000 0.00008 -0.00001 0.00008 75 3PX 0.00015 0.00000 0.00001 0.00000 0.00002 76 3PY -0.00001 -0.00003 0.00000 -0.00001 0.00001 77 3PZ 0.00050 -0.00001 0.00018 0.00000 0.00020 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 80 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00004 0.00000 -0.00001 -0.00001 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00001 0.00000 0.00000 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00003 0.00000 -0.00001 -0.00004 0.00000 94 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 95 3PY -0.00002 0.00000 -0.00002 0.00001 0.00000 96 3PZ 0.00003 -0.00003 0.00000 -0.00001 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 0.00000 0.00001 130 3PX -0.00009 0.00000 0.00000 0.00000 0.00001 131 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00002 -0.00001 0.00000 0.00000 0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.17163 52 7 C 1S 0.00026 2.05499 53 2S -0.00341 -0.01343 0.32633 54 2PX -0.00577 0.00000 0.00000 0.35438 55 2PY 0.00001 0.00000 0.00000 0.00000 0.41150 56 2PZ -0.00550 0.00000 0.00000 0.00000 0.00000 57 3S -0.01508 -0.03646 0.23618 0.00000 0.00000 58 3PX -0.01065 0.00000 0.00000 0.11186 0.00000 59 3PY -0.00026 0.00000 0.00000 0.00000 0.07408 60 3PZ -0.00394 0.00000 0.00000 0.00000 0.00000 61 4XX 0.00015 -0.00090 -0.00921 0.00000 0.00000 62 4YY -0.00035 -0.00145 0.00112 0.00000 0.00000 63 4ZZ 0.00070 -0.00111 -0.00519 0.00000 0.00000 64 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00009 0.00000 0.00000 0.00000 0.00000 66 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00104 -0.00196 0.03098 0.00106 0.09693 68 2S -0.00589 -0.00121 0.01237 0.00024 0.06457 69 9 C 1S 0.00000 0.00000 -0.00019 -0.00012 -0.00024 70 2S 0.00008 -0.00020 0.00510 0.00224 0.00425 71 2PX 0.00009 -0.00009 0.00176 0.00003 0.00094 72 2PY 0.00001 -0.00019 0.00373 0.00070 -0.00061 73 2PZ 0.00033 -0.00117 0.02396 0.00786 0.01395 74 3S 0.00142 0.00013 0.00691 0.00562 0.00985 75 3PX 0.00047 -0.00008 0.00178 0.00000 0.00068 76 3PY 0.00015 -0.00024 0.00227 0.00058 0.00033 77 3PZ 0.00283 -0.00127 0.01979 0.00423 0.00825 78 4XX -0.00001 0.00000 -0.00030 0.00003 -0.00008 79 4YY 0.00000 0.00000 -0.00018 -0.00003 -0.00006 80 4ZZ 0.00000 -0.00007 0.00165 0.00057 0.00108 81 4XY 0.00000 0.00000 0.00007 0.00004 0.00000 82 4XZ -0.00001 -0.00002 0.00038 0.00047 0.00020 83 4YZ 0.00000 -0.00005 0.00083 0.00023 0.00005 84 10 H 1S 0.00000 0.00000 -0.00019 0.00001 -0.00001 85 2S -0.00005 0.00018 -0.00333 -0.00013 -0.00013 86 11 H 1S 0.00000 0.00000 -0.00015 -0.00026 0.00000 87 2S -0.00019 0.00020 -0.00288 -0.00584 -0.00012 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 -0.00002 0.00000 -0.00008 90 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 91 2PY 0.00000 0.00000 -0.00011 0.00000 -0.00027 92 2PZ 0.00000 0.00000 -0.00004 0.00000 -0.00004 93 3S -0.00001 0.00000 -0.00058 -0.00039 -0.00336 94 3PX -0.00005 0.00000 -0.00008 0.00020 -0.00018 95 3PY -0.00001 0.00009 -0.00203 -0.00019 -0.00451 96 3PZ -0.00008 0.00000 -0.00047 -0.00017 -0.00023 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00003 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00002 0.00000 0.00009 0.00011 0.00015 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00006 0.00001 0.00010 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00001 0.00000 -0.00001 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00007 0.00000 -0.00020 -0.00015 -0.00051 113 3PX -0.00003 0.00001 -0.00047 -0.00029 -0.00024 114 3PY -0.00001 -0.00001 0.00003 -0.00009 -0.00035 115 3PZ 0.00004 0.00000 -0.00022 -0.00033 -0.00015 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00002 0.00000 0.00002 0.00003 0.00003 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00008 0.00013 0.00001 126 2PX 0.00009 0.00000 0.00003 0.00205 0.00028 127 2PY 0.00001 0.00000 -0.00002 0.00020 -0.00001 128 2PZ -0.00001 0.00000 0.00008 0.00112 0.00010 129 3S 0.00027 0.00016 -0.00065 0.00235 0.00090 130 3PX 0.00048 0.00003 -0.00040 0.00813 0.00149 131 3PY 0.00001 0.00000 -0.00033 0.00105 0.00026 132 3PZ -0.00021 0.00004 0.00025 0.00633 0.00056 133 4XX 0.00000 0.00000 0.00003 0.00012 0.00002 134 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 135 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00000 136 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 137 4XZ 0.00000 0.00000 0.00002 0.00007 0.00001 138 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 139 18 H 1S 0.00000 0.00000 -0.00002 -0.00005 0.00000 140 2S 0.00027 0.00003 -0.00065 -0.00108 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 -0.00009 0.00000 162 3PX -0.00001 0.00000 -0.00011 -0.00099 -0.00002 163 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 164 3PZ 0.00000 0.00000 -0.00001 -0.00009 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00002 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00003 0.00000 56 57 58 59 60 56 2PZ 0.38398 57 3S 0.00000 0.30081 58 3PX 0.00000 0.00000 0.12483 59 3PY 0.00000 0.00000 0.00000 0.05323 60 3PZ 0.09697 0.00000 0.00000 0.00000 0.09657 61 4XX 0.00000 -0.00711 0.00000 0.00000 0.00000 62 4YY 0.00000 0.00243 0.00000 0.00000 0.00000 63 4ZZ 0.00000 -0.00427 0.00000 0.00000 0.00000 64 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00068 0.04241 0.00025 0.04297 0.00017 68 2S 0.00047 0.02339 -0.00063 0.04179 -0.00011 69 9 C 1S -0.00094 -0.00008 -0.00013 -0.00030 -0.00056 70 2S 0.01883 0.00439 0.00143 0.00328 0.01093 71 2PX 0.00645 0.00231 0.00002 0.00013 0.00150 72 2PY 0.01262 0.00319 0.00032 -0.00170 0.00726 73 2PZ 0.04478 0.02221 0.00378 0.00270 0.01199 74 3S 0.01742 0.00013 0.00755 0.00650 -0.00032 75 3PX 0.00363 0.00179 -0.00074 -0.00003 0.00122 76 3PY 0.00763 0.00226 0.00009 -0.00190 0.00564 77 3PZ 0.01547 0.01205 0.00262 0.00066 0.00189 78 4XX -0.00039 -0.00097 -0.00026 0.00001 0.00003 79 4YY -0.00029 -0.00038 -0.00014 -0.00034 -0.00005 80 4ZZ 0.00022 0.00238 0.00065 0.00048 -0.00049 81 4XY 0.00021 0.00004 0.00006 0.00001 0.00003 82 4XZ 0.00058 0.00013 0.00054 0.00001 0.00015 83 4YZ 0.00129 0.00035 0.00005 0.00023 0.00018 84 10 H 1S -0.00045 -0.00122 -0.00012 0.00015 -0.00578 85 2S -0.00665 -0.00381 -0.00091 0.00030 -0.01805 86 11 H 1S -0.00029 -0.00231 -0.00205 0.00010 0.00032 87 2S -0.00246 -0.01154 -0.01240 -0.00013 0.00540 88 12 C 1S 0.00000 0.00002 0.00001 0.00005 0.00001 89 2S -0.00005 -0.00040 -0.00009 -0.00095 -0.00046 90 2PX 0.00000 -0.00011 -0.00005 0.00000 0.00006 91 2PY -0.00017 -0.00123 -0.00020 -0.00108 -0.00158 92 2PZ -0.00006 0.00017 -0.00019 0.00177 -0.00044 93 3S 0.00006 -0.00142 -0.00183 -0.00547 0.00200 94 3PX 0.00002 -0.00033 0.00051 -0.00014 0.00022 95 3PY -0.00131 -0.00425 -0.00083 -0.00386 -0.00215 96 3PZ -0.00028 0.00049 -0.00061 0.00274 -0.00014 97 4XX 0.00000 0.00001 0.00001 -0.00005 0.00000 98 4YY 0.00000 0.00002 0.00003 0.00004 -0.00010 99 4ZZ 0.00000 -0.00002 -0.00004 0.00006 0.00006 100 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 101 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 102 4YZ 0.00002 0.00005 0.00002 0.00002 0.00006 103 13 H 1S 0.00000 0.00004 0.00005 -0.00005 0.00002 104 2S 0.00006 0.00041 0.00088 -0.00026 -0.00010 105 14 H 1S 0.00000 -0.00001 0.00000 -0.00011 0.00024 106 2S 0.00023 0.00004 0.00006 -0.00014 0.00192 107 15 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 108 2S 0.00000 -0.00008 -0.00017 -0.00005 -0.00007 109 2PX 0.00000 0.00018 -0.00033 0.00062 0.00000 110 2PY 0.00000 -0.00011 -0.00054 -0.00002 -0.00031 111 2PZ 0.00000 0.00003 -0.00034 0.00023 0.00000 112 3S 0.00013 -0.00008 -0.00065 -0.00001 0.00038 113 3PX -0.00026 0.00010 -0.00162 0.00160 -0.00079 114 3PY 0.00017 -0.00080 0.00023 -0.00060 -0.00008 115 3PZ 0.00000 0.00043 -0.00178 0.00094 -0.00006 116 4XX 0.00000 0.00001 -0.00002 0.00002 -0.00001 117 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 118 4ZZ 0.00000 -0.00001 0.00001 -0.00002 0.00000 119 4XY 0.00000 0.00001 0.00007 0.00002 0.00004 120 4XZ 0.00000 0.00000 -0.00002 0.00001 0.00000 121 4YZ 0.00000 0.00001 0.00005 0.00001 0.00000 122 16 H 1S 0.00000 0.00000 0.00004 -0.00001 0.00002 123 2S 0.00003 0.00009 0.00051 -0.00013 0.00041 124 17 C 1S 0.00000 0.00004 0.00004 -0.00002 -0.00005 125 2S 0.00005 0.00014 -0.00038 0.00039 0.00064 126 2PX 0.00072 0.00062 0.00777 0.00086 0.00476 127 2PY 0.00004 0.00007 0.00086 -0.00007 0.00059 128 2PZ 0.00022 0.00129 0.00550 0.00059 0.00007 129 3S -0.00066 0.00127 0.00243 0.00173 0.00107 130 3PX 0.00514 0.00342 0.01259 0.00220 0.01183 131 3PY 0.00060 0.00015 0.00213 -0.00001 0.00151 132 3PZ 0.00003 0.00207 0.01153 0.00088 -0.00216 133 4XX 0.00006 0.00056 0.00070 0.00021 0.00049 134 4YY 0.00000 -0.00011 -0.00015 -0.00003 -0.00009 135 4ZZ -0.00001 -0.00023 -0.00026 -0.00012 -0.00012 136 4XY 0.00001 -0.00001 0.00006 0.00004 0.00003 137 4XZ 0.00001 0.00006 0.00018 0.00002 0.00001 138 4YZ 0.00000 0.00000 0.00007 0.00001 0.00000 139 18 H 1S -0.00005 -0.00059 -0.00157 0.00000 -0.00084 140 2S -0.00123 -0.00384 -0.00491 -0.00002 -0.00396 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 143 2PX 0.00000 0.00000 0.00001 -0.00001 0.00000 144 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00007 -0.00005 -0.00008 -0.00001 147 3PX 0.00000 -0.00007 0.00013 -0.00022 0.00000 148 3PY 0.00000 -0.00007 0.00010 -0.00003 0.00000 149 3PZ 0.00000 -0.00001 0.00000 -0.00002 0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 0.00004 0.00008 0.00001 -0.00002 158 2PX 0.00000 -0.00039 -0.00078 -0.00007 -0.00008 159 2PY 0.00000 -0.00002 0.00002 0.00001 0.00000 160 2PZ 0.00000 -0.00005 -0.00005 -0.00001 0.00012 161 3S 0.00001 0.00004 0.00080 0.00005 -0.00007 162 3PX -0.00003 -0.00342 -0.00509 -0.00042 -0.00053 163 3PY 0.00000 -0.00013 0.00011 0.00010 -0.00002 164 3PZ 0.00005 -0.00044 -0.00047 -0.00005 0.00119 165 4XX 0.00000 -0.00002 0.00010 0.00000 0.00001 166 4YY 0.00000 0.00002 -0.00003 0.00000 0.00000 167 4ZZ 0.00000 0.00000 -0.00005 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00001 -0.00001 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00002 0.00001 0.00001 -0.00001 174 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00009 0.00016 0.00004 -0.00002 177 3PX 0.00000 0.00001 -0.00008 -0.00005 -0.00002 178 3PY 0.00000 -0.00005 -0.00006 0.00000 0.00000 179 3PZ 0.00000 0.00002 0.00004 0.00002 0.00010 180 4XX 0.00000 -0.00001 -0.00001 -0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00003 -0.00003 -0.00002 0.00000 188 23 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 189 2S -0.00001 0.00037 0.00025 0.00025 -0.00019 61 62 63 64 65 61 4XX 0.00150 62 4YY -0.00017 0.00186 63 4ZZ 0.00002 -0.00024 0.00145 64 4XY 0.00000 0.00000 0.00000 0.00042 65 4XZ 0.00000 0.00000 0.00000 0.00000 0.00069 66 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 8 H 1S -0.00103 0.00754 -0.00119 0.00009 0.00001 68 2S -0.00176 0.00685 -0.00308 0.00002 0.00000 69 9 C 1S 0.00000 0.00001 -0.00008 0.00000 -0.00002 70 2S -0.00025 -0.00028 0.00172 0.00008 0.00027 71 2PX 0.00003 -0.00004 0.00057 0.00002 0.00055 72 2PY -0.00003 -0.00005 0.00113 0.00000 0.00016 73 2PZ -0.00056 -0.00046 -0.00015 0.00023 0.00036 74 3S -0.00076 -0.00147 0.00324 0.00007 0.00015 75 3PX -0.00020 -0.00007 0.00038 0.00002 0.00045 76 3PY -0.00013 -0.00036 0.00082 0.00000 0.00003 77 3PZ -0.00046 -0.00094 0.00011 0.00007 0.00003 78 4XX 0.00002 -0.00001 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00002 -0.00008 0.00000 -0.00001 80 4ZZ -0.00005 -0.00006 0.00007 0.00000 -0.00001 81 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 82 4XZ 0.00000 -0.00001 -0.00007 0.00001 -0.00005 83 4YZ -0.00002 0.00000 -0.00007 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00014 0.00000 0.00002 85 2S -0.00007 -0.00012 0.00070 0.00000 0.00008 86 11 H 1S 0.00003 0.00000 0.00001 0.00000 0.00008 87 2S 0.00057 -0.00014 -0.00023 -0.00001 0.00030 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00001 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00005 -0.00001 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S -0.00002 0.00026 -0.00011 0.00001 0.00000 94 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 95 3PY -0.00003 0.00058 -0.00029 0.00001 -0.00001 96 3PZ -0.00003 0.00000 0.00001 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00001 0.00001 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00001 -0.00002 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00004 0.00002 -0.00003 0.00000 0.00001 113 3PX 0.00010 -0.00002 -0.00004 0.00002 0.00001 114 3PY -0.00008 0.00003 0.00001 0.00000 -0.00001 115 3PZ 0.00007 -0.00001 -0.00002 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00003 0.00000 0.00000 0.00000 0.00002 126 2PX 0.00009 -0.00001 0.00000 0.00003 0.00009 127 2PY 0.00003 0.00000 0.00000 0.00000 0.00002 128 2PZ 0.00004 0.00000 0.00000 0.00001 0.00001 129 3S 0.00037 -0.00017 -0.00001 0.00003 0.00009 130 3PX 0.00047 -0.00022 0.00002 0.00005 0.00022 131 3PY 0.00013 0.00000 -0.00004 0.00000 0.00006 132 3PZ 0.00026 -0.00007 -0.00001 0.00005 0.00001 133 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00006 -0.00002 0.00003 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00003 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 4YZ 0.00065 67 8 H 1S 0.00008 0.21714 68 2S 0.00001 0.11577 0.16496 69 9 C 1S -0.00004 0.00000 0.00016 2.05092 70 2S 0.00072 -0.00013 -0.00247 -0.01170 0.30682 71 2PX 0.00018 -0.00001 -0.00020 0.00000 0.00000 72 2PY 0.00007 -0.00028 -0.00447 0.00000 0.00000 73 2PZ 0.00127 -0.00025 -0.00431 0.00000 0.00000 74 3S 0.00038 -0.00400 -0.01623 -0.03425 0.22725 75 3PX 0.00004 -0.00014 -0.00051 0.00000 0.00000 76 3PY 0.00015 -0.00098 -0.00528 0.00000 0.00000 77 3PZ 0.00018 -0.00282 -0.00971 0.00000 0.00000 78 4XX -0.00003 0.00000 -0.00003 -0.00141 0.00014 79 4YY 0.00000 0.00004 0.00065 -0.00123 -0.00365 80 4ZZ -0.00002 -0.00001 -0.00038 -0.00129 -0.00249 81 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 82 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 83 4YZ 0.00000 0.00004 0.00010 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 -0.00015 -0.00166 0.02734 85 2S -0.00003 -0.00017 -0.00034 -0.00064 0.00994 86 11 H 1S 0.00000 -0.00001 -0.00027 -0.00170 0.02785 87 2S -0.00002 -0.00039 -0.00001 -0.00043 0.00951 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 89 2S 0.00001 0.00000 0.00006 -0.00013 0.00349 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00005 0.00000 0.00029 -0.00105 0.02291 92 2PZ 0.00000 0.00000 0.00004 0.00000 0.00000 93 3S 0.00006 0.00007 0.00130 0.00028 0.00260 94 3PX 0.00000 0.00000 0.00003 0.00000 0.00000 95 3PY 0.00017 0.00023 0.00301 -0.00147 0.02052 96 3PZ 0.00001 0.00000 0.00018 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 -0.00023 98 4YY 0.00000 0.00000 0.00000 -0.00011 0.00250 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00022 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 104 2S 0.00000 0.00000 -0.00015 0.00009 -0.00166 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 106 2S -0.00001 0.00000 -0.00011 0.00013 -0.00208 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00001 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00001 0.00040 0.00000 -0.00017 113 3PX 0.00000 -0.00001 0.00008 0.00001 -0.00011 114 3PY 0.00000 0.00003 0.00046 0.00000 -0.00002 115 3PZ 0.00000 0.00000 0.00008 0.00001 -0.00033 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00003 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00009 0.00000 0.00000 126 2PX 0.00001 -0.00001 -0.00062 0.00000 -0.00001 127 2PY 0.00000 -0.00001 -0.00045 0.00000 0.00000 128 2PZ 0.00000 0.00000 -0.00017 0.00000 -0.00002 129 3S 0.00000 -0.00055 -0.00324 0.00001 -0.00003 130 3PX 0.00004 -0.00060 -0.00284 0.00002 -0.00065 131 3PY 0.00000 0.00020 0.00072 0.00000 -0.00002 132 3PZ 0.00000 -0.00018 -0.00111 0.00004 -0.00040 133 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 135 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 -0.00011 0.00000 0.00000 140 2S 0.00000 -0.00011 -0.00016 0.00000 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 -0.00001 0.00000 0.00001 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00002 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00026 0.00000 -0.00001 162 3PX 0.00000 0.00000 0.00011 0.00000 -0.00005 163 3PY 0.00000 0.00000 0.00012 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00002 165 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 0.00000 -0.00002 177 3PX 0.00000 0.00000 -0.00001 0.00000 0.00002 178 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00001 0.00000 -0.00002 71 72 73 74 75 71 2PX 0.41189 72 2PY 0.00000 0.38123 73 2PZ 0.00000 0.00000 0.38896 74 3S 0.00000 0.00000 0.00000 0.30211 75 3PX 0.10594 0.00000 0.00000 0.00000 0.08584 76 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.10249 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00324 0.00000 80 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.04272 0.00964 0.04453 0.03402 0.02650 85 2S 0.02854 0.00579 0.02891 0.01331 0.02786 86 11 H 1S 0.07932 0.01251 0.00677 0.03034 0.05113 87 2S 0.05032 0.00742 0.00406 -0.00476 0.04889 88 12 C 1S 0.00000 -0.00105 0.00000 0.00028 0.00000 89 2S 0.00000 0.02291 0.00000 0.00260 0.00000 90 2PX -0.00005 0.00000 0.00000 0.00000 -0.00094 91 2PY 0.00000 0.07729 0.00000 0.02763 0.00000 92 2PZ 0.00000 0.00000 0.00042 0.00000 0.00000 93 3S 0.00000 0.02762 0.00000 -0.01566 0.00000 94 3PX -0.00093 0.00000 0.00000 0.00000 -0.00257 95 3PY 0.00000 0.03407 0.00000 0.01958 0.00000 96 3PZ 0.00000 0.00000 -0.00123 0.00000 0.00000 97 4XX 0.00000 -0.00056 0.00000 -0.00079 0.00000 98 4YY 0.00000 0.00251 0.00000 0.00369 0.00000 99 4ZZ 0.00000 -0.00064 0.00000 -0.00124 0.00000 100 4XY 0.00114 0.00000 0.00000 0.00000 0.00074 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00104 0.00000 0.00000 103 13 H 1S -0.00012 -0.00032 0.00000 -0.00121 -0.00112 104 2S -0.00196 -0.00464 -0.00003 -0.00089 -0.00407 105 14 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 106 2S -0.00121 -0.00487 -0.00080 -0.00794 -0.00243 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00007 0.00001 109 2PX 0.00000 0.00000 0.00000 -0.00023 0.00009 110 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00002 111 2PZ 0.00000 0.00000 0.00000 -0.00031 0.00010 112 3S 0.00000 -0.00002 -0.00038 -0.00190 0.00017 113 3PX 0.00007 -0.00012 -0.00016 -0.00155 0.00026 114 3PY -0.00009 0.00002 -0.00014 -0.00027 -0.00044 115 3PZ 0.00003 -0.00001 -0.00046 -0.00264 0.00062 116 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00014 -0.00002 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 125 2S -0.00001 0.00000 -0.00001 -0.00015 -0.00016 126 2PX -0.00001 0.00000 -0.00003 -0.00017 -0.00018 127 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 128 2PZ -0.00002 0.00000 -0.00004 -0.00002 0.00018 129 3S -0.00003 -0.00001 0.00044 0.00071 -0.00008 130 3PX -0.00038 0.00000 -0.00139 -0.00065 -0.00045 131 3PY -0.00001 -0.00002 -0.00005 -0.00007 -0.00004 132 3PZ -0.00034 0.00000 -0.00007 0.00098 -0.00007 133 4XX 0.00000 0.00000 0.00000 0.00004 0.00004 134 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00001 135 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00003 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00002 140 2S 0.00001 0.00000 0.00004 -0.00002 -0.00010 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00002 -0.00001 144 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 145 2PZ 0.00000 0.00000 0.00000 0.00001 0.00002 146 3S 0.00000 0.00000 0.00000 0.00006 -0.00005 147 3PX 0.00000 0.00000 0.00001 0.00035 -0.00009 148 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00024 149 3PZ 0.00000 0.00000 0.00000 0.00016 0.00012 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00009 -0.00007 158 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00019 159 2PY 0.00000 0.00000 0.00000 0.00002 0.00004 160 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00031 161 3S -0.00010 0.00000 -0.00004 -0.00078 -0.00100 162 3PX -0.00014 -0.00001 -0.00005 -0.00048 -0.00116 163 3PY 0.00000 0.00000 -0.00001 0.00015 0.00019 164 3PZ -0.00010 -0.00001 0.00002 -0.00046 -0.00169 165 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00002 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 170 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00001 -0.00004 173 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00005 174 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 175 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00006 176 3S -0.00006 0.00000 0.00000 -0.00008 -0.00026 177 3PX 0.00014 0.00002 0.00001 0.00016 0.00044 178 3PY 0.00003 0.00000 0.00000 0.00001 -0.00001 179 3PZ -0.00013 0.00001 0.00000 -0.00013 -0.00058 180 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00002 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 -0.00008 -0.00006 189 2S 0.00018 -0.00001 0.00000 -0.00057 0.00109 76 77 78 79 80 76 3PY 0.08588 77 3PZ 0.00000 0.09075 78 4XX 0.00000 0.00000 0.00113 79 4YY 0.00000 0.00000 -0.00011 0.00121 80 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S 0.00708 0.02915 0.00063 -0.00087 0.00098 85 2S 0.00654 0.02842 0.00050 -0.00155 0.00172 86 11 H 1S 0.00785 0.00552 0.00438 -0.00079 -0.00093 87 2S 0.00644 0.00410 0.00431 -0.00102 -0.00230 88 12 C 1S -0.00147 0.00000 0.00000 -0.00011 0.00000 89 2S 0.02051 0.00000 -0.00023 0.00250 -0.00022 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.03407 0.00000 -0.00056 0.00251 -0.00064 92 2PZ 0.00001 -0.00123 0.00000 0.00000 0.00000 93 3S 0.01958 0.00000 -0.00079 0.00369 -0.00123 94 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 3PY 0.01442 -0.00001 -0.00111 0.00189 -0.00167 96 3PZ 0.00001 -0.00415 0.00000 0.00000 0.00000 97 4XX -0.00111 0.00000 0.00000 -0.00001 0.00000 98 4YY 0.00189 0.00000 -0.00001 -0.00002 -0.00001 99 4ZZ -0.00167 0.00000 0.00000 -0.00001 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00072 0.00000 0.00000 0.00000 103 13 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 104 2S -0.00870 -0.00031 -0.00005 -0.00015 0.00020 105 14 H 1S -0.00203 -0.00076 0.00000 0.00003 0.00000 106 2S -0.00760 -0.00159 0.00013 -0.00003 0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 -0.00004 0.00000 0.00000 0.00000 109 2PX -0.00007 -0.00029 0.00000 0.00000 0.00000 110 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00016 -0.00030 0.00000 0.00000 0.00000 112 3S -0.00011 -0.00171 0.00001 0.00000 0.00000 113 3PX -0.00060 -0.00095 0.00001 -0.00001 0.00000 114 3PY 0.00001 -0.00014 0.00000 0.00001 -0.00001 115 3PZ -0.00038 -0.00169 0.00002 -0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00008 0.00006 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 125 2S 0.00000 -0.00035 0.00000 0.00000 0.00000 126 2PX 0.00001 -0.00008 0.00000 0.00000 0.00000 127 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00002 -0.00038 0.00000 0.00000 0.00001 129 3S 0.00000 0.00096 0.00000 -0.00002 0.00004 130 3PX 0.00004 -0.00202 -0.00002 -0.00004 0.00017 131 3PY -0.00002 -0.00009 0.00000 0.00000 0.00000 132 3PZ 0.00005 0.00026 -0.00006 -0.00006 0.00016 133 4XX 0.00000 -0.00011 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00015 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 138 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 140 2S 0.00003 0.00049 0.00000 0.00000 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 146 3S -0.00001 0.00012 0.00000 0.00000 0.00000 147 3PX -0.00017 0.00008 0.00000 0.00000 0.00000 148 3PY -0.00002 0.00010 0.00000 0.00000 0.00000 149 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00001 0.00001 0.00000 0.00000 0.00000 158 2PX -0.00005 0.00028 0.00000 0.00000 0.00000 159 2PY -0.00002 -0.00002 0.00000 0.00000 0.00000 160 2PZ -0.00004 0.00019 0.00000 0.00000 0.00000 161 3S -0.00007 -0.00014 0.00000 0.00000 0.00000 162 3PX -0.00027 0.00167 0.00001 0.00000 -0.00001 163 3PY -0.00015 -0.00013 0.00000 0.00000 0.00000 164 3PZ -0.00024 0.00090 0.00000 0.00000 -0.00001 165 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 166 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 176 3S 0.00001 -0.00001 0.00000 0.00000 0.00000 177 3PX 0.00013 0.00005 0.00000 0.00000 0.00000 178 3PY -0.00001 0.00002 0.00000 0.00000 0.00000 179 3PZ 0.00006 -0.00007 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00002 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00010 0.00006 0.00001 0.00000 0.00000 81 82 83 84 85 81 4XY 0.00095 82 4XZ 0.00000 0.00130 83 4YZ 0.00000 0.00000 0.00091 84 10 H 1S 0.00086 0.00338 0.00098 0.21529 85 2S 0.00021 0.00078 0.00021 0.11393 0.15892 86 11 H 1S 0.00195 0.00105 0.00021 -0.00052 -0.00817 87 2S 0.00042 0.00029 0.00003 -0.00841 -0.02545 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00013 89 2S 0.00000 0.00000 0.00000 -0.00013 -0.00208 90 2PX 0.00114 0.00000 0.00000 -0.00008 -0.00121 91 2PY 0.00000 0.00000 0.00000 -0.00033 -0.00487 92 2PZ 0.00000 0.00000 0.00104 -0.00008 -0.00081 93 3S 0.00000 0.00000 0.00000 -0.00222 -0.00792 94 3PX 0.00074 0.00000 0.00000 -0.00055 -0.00243 95 3PY 0.00000 0.00000 0.00000 -0.00202 -0.00759 96 3PZ 0.00000 0.00000 0.00072 -0.00076 -0.00160 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00013 98 4YY 0.00000 0.00000 0.00000 0.00003 -0.00003 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 100 4XY -0.00016 0.00000 0.00000 0.00003 0.00017 101 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00003 102 4YZ 0.00000 0.00000 -0.00012 0.00003 0.00015 103 13 H 1S 0.00005 0.00000 0.00000 0.00000 0.00039 104 2S 0.00028 -0.00001 0.00002 0.00041 0.00361 105 14 H 1S 0.00003 0.00000 0.00003 -0.00005 -0.00202 106 2S 0.00017 -0.00003 0.00015 -0.00202 -0.00836 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00001 0.00001 0.00000 0.00012 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 115 3PZ 0.00000 0.00001 0.00001 0.00000 0.00015 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00000 0.00001 126 2PX 0.00000 0.00001 0.00000 0.00000 0.00005 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ 0.00000 0.00001 0.00000 0.00000 0.00007 129 3S 0.00000 0.00002 0.00000 0.00000 0.00004 130 3PX 0.00000 0.00009 0.00000 0.00004 0.00100 131 3PY 0.00000 0.00000 -0.00001 0.00000 0.00008 132 3PZ 0.00000 0.00014 0.00000 0.00002 0.00076 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00004 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00002 177 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 178 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00008 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.11186 0.16626 88 12 C 1S 0.00000 0.00009 2.05092 89 2S -0.00011 -0.00166 -0.01170 0.30682 90 2PX -0.00012 -0.00196 0.00000 0.00000 0.41186 91 2PY -0.00032 -0.00463 0.00000 0.00000 0.00000 92 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 93 3S -0.00122 -0.00091 -0.03425 0.22723 0.00000 94 3PX -0.00112 -0.00407 0.00000 0.00000 0.10595 95 3PY -0.00277 -0.00869 0.00000 0.00000 0.00000 96 3PZ -0.00020 -0.00032 0.00000 0.00000 0.00000 97 4XX 0.00000 -0.00005 -0.00141 0.00014 0.00000 98 4YY 0.00002 -0.00016 -0.00123 -0.00365 0.00000 99 4ZZ 0.00000 0.00020 -0.00129 -0.00250 0.00000 100 4XY 0.00005 0.00028 0.00000 0.00000 0.00000 101 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 103 13 H 1S -0.00003 -0.00165 -0.00170 0.02784 0.07933 104 2S -0.00165 -0.00907 -0.00043 0.00951 0.05033 105 14 H 1S 0.00000 0.00041 -0.00166 0.02733 0.04263 106 2S 0.00038 0.00361 -0.00064 0.00994 0.02848 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00002 0.00000 0.00000 -0.00001 109 2PX 0.00000 -0.00001 0.00000 -0.00001 -0.00001 110 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 -0.00002 -0.00002 112 3S 0.00000 0.00028 0.00001 -0.00002 -0.00003 113 3PX 0.00002 0.00011 0.00002 -0.00065 -0.00038 114 3PY -0.00004 0.00013 0.00000 -0.00002 -0.00001 115 3PZ 0.00001 0.00001 0.00004 -0.00040 -0.00034 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00005 0.00000 0.00002 0.00001 124 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 125 2S 0.00000 -0.00017 0.00000 0.00000 0.00000 126 2PX 0.00000 -0.00012 0.00000 0.00000 0.00000 127 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 128 2PZ -0.00001 -0.00126 0.00000 0.00000 0.00000 129 3S -0.00007 -0.00144 0.00000 -0.00017 0.00000 130 3PX -0.00022 -0.00105 0.00001 -0.00011 0.00007 131 3PY -0.00006 -0.00020 0.00000 -0.00002 -0.00009 132 3PZ -0.00067 -0.00524 0.00001 -0.00033 0.00003 133 4XX 0.00000 -0.00007 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00011 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 140 2S 0.00001 0.00048 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00001 0.00000 0.00000 0.00000 143 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 146 3S 0.00000 0.00016 0.00000 -0.00001 -0.00010 147 3PX 0.00000 -0.00013 0.00000 -0.00005 -0.00014 148 3PY 0.00000 0.00017 0.00000 0.00000 0.00000 149 3PZ 0.00000 -0.00008 0.00000 -0.00002 -0.00010 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 157 2S 0.00000 0.00014 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00058 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00128 0.00000 0.00000 0.00000 161 3S -0.00014 0.00092 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00352 0.00000 0.00001 0.00000 163 3PY 0.00000 0.00006 0.00000 0.00000 0.00000 164 3PZ -0.00002 0.00671 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 -0.00008 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00004 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 173 2PX 0.00000 -0.00018 0.00000 0.00000 0.00000 174 2PY 0.00000 -0.00006 0.00000 0.00000 0.00000 175 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 176 3S -0.00011 -0.00101 0.00000 -0.00002 -0.00006 177 3PX 0.00017 0.00046 0.00000 0.00002 0.00014 178 3PY 0.00009 0.00062 0.00000 0.00000 0.00003 179 3PZ -0.00022 0.00007 0.00000 -0.00001 -0.00013 180 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00004 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00002 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 187 2S 0.00001 0.00025 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 -0.00038 0.00000 0.00000 0.00000 189 2S 0.00030 -0.00171 0.00000 -0.00002 0.00018 91 92 93 94 95 91 2PY 0.38125 92 2PZ 0.00000 0.38896 93 3S 0.00000 0.00000 0.30206 94 3PX 0.00000 0.00000 0.00000 0.08586 95 3PY 0.09887 0.00000 0.00000 0.00000 0.08589 96 3PZ 0.00000 0.10248 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00022 0.00000 0.00000 98 4YY 0.00000 0.00000 -0.00323 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00010 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.01257 0.00669 0.03034 0.05116 0.00789 104 2S 0.00745 0.00401 -0.00479 0.04891 0.00648 105 14 H 1S 0.00969 0.04457 0.03402 0.02644 0.00711 106 2S 0.00582 0.02894 0.01333 0.02781 0.00657 107 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 108 2S 0.00000 -0.00001 -0.00015 -0.00016 0.00000 109 2PX 0.00000 -0.00003 -0.00017 -0.00018 0.00001 110 2PY 0.00000 0.00000 0.00000 -0.00001 0.00003 111 2PZ 0.00000 -0.00004 -0.00002 0.00018 0.00002 112 3S -0.00001 0.00044 0.00072 -0.00008 0.00000 113 3PX 0.00000 -0.00139 -0.00063 -0.00045 0.00004 114 3PY -0.00002 -0.00005 -0.00008 -0.00004 -0.00002 115 3PZ 0.00000 -0.00006 0.00101 -0.00008 0.00005 116 4XX 0.00000 0.00000 0.00004 0.00004 0.00000 117 4YY 0.00000 0.00000 -0.00002 -0.00001 0.00000 118 4ZZ 0.00000 0.00000 0.00001 -0.00003 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 122 16 H 1S 0.00000 0.00000 -0.00001 -0.00002 0.00000 123 2S 0.00000 0.00004 -0.00003 -0.00010 0.00003 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 -0.00007 0.00001 0.00001 126 2PX 0.00000 0.00000 -0.00023 0.00009 -0.00007 127 2PY 0.00000 0.00000 -0.00005 -0.00002 0.00001 128 2PZ 0.00000 0.00000 -0.00031 0.00010 -0.00016 129 3S -0.00002 -0.00038 -0.00190 0.00017 -0.00011 130 3PX -0.00012 -0.00016 -0.00154 0.00026 -0.00060 131 3PY 0.00002 -0.00014 -0.00028 -0.00044 0.00001 132 3PZ -0.00001 -0.00046 -0.00262 0.00062 -0.00038 133 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00014 -0.00002 0.00008 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 -0.00009 -0.00007 -0.00001 143 2PX 0.00000 0.00000 -0.00006 -0.00019 -0.00004 144 2PY 0.00000 0.00000 0.00002 0.00004 -0.00002 145 2PZ 0.00000 0.00000 -0.00006 -0.00031 -0.00004 146 3S 0.00000 -0.00004 -0.00078 -0.00100 -0.00007 147 3PX -0.00001 -0.00005 -0.00049 -0.00116 -0.00026 148 3PY 0.00000 -0.00001 0.00015 0.00019 -0.00015 149 3PZ -0.00001 0.00002 -0.00046 -0.00169 -0.00024 150 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 151 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00001 0.00002 0.00000 155 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00002 -0.00001 -0.00002 159 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 160 2PZ 0.00000 0.00000 0.00001 0.00002 -0.00001 161 3S 0.00000 0.00000 0.00006 -0.00005 -0.00001 162 3PX 0.00000 0.00001 0.00035 -0.00009 -0.00017 163 3PY 0.00000 0.00000 -0.00004 -0.00024 -0.00002 164 3PZ 0.00000 0.00000 0.00015 0.00012 -0.00007 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00001 -0.00004 0.00000 173 2PX 0.00000 0.00000 -0.00002 -0.00005 0.00000 174 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 175 2PZ 0.00000 0.00000 -0.00003 -0.00006 0.00001 176 3S 0.00000 0.00000 -0.00008 -0.00026 0.00001 177 3PX 0.00002 0.00001 0.00016 0.00044 0.00013 178 3PY 0.00000 0.00000 0.00001 -0.00001 -0.00001 179 3PZ 0.00001 0.00000 -0.00013 -0.00058 0.00006 180 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00002 0.00001 0.00001 188 23 H 1S 0.00000 0.00000 -0.00008 -0.00006 0.00000 189 2S -0.00001 0.00000 -0.00056 0.00109 -0.00010 96 97 98 99 100 96 3PZ 0.09072 97 4XX 0.00000 0.00113 98 4YY 0.00000 -0.00011 0.00121 99 4ZZ 0.00000 -0.00006 -0.00011 0.00105 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00096 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00546 0.00438 -0.00078 -0.00093 0.00196 104 2S 0.00406 0.00431 -0.00101 -0.00231 0.00042 105 14 H 1S 0.02917 0.00062 -0.00087 0.00099 0.00087 106 2S 0.02844 0.00050 -0.00155 0.00172 0.00021 107 15 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 108 2S -0.00034 0.00000 0.00000 0.00000 0.00000 109 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00037 0.00000 0.00000 0.00001 0.00000 112 3S 0.00097 0.00000 -0.00002 0.00004 0.00000 113 3PX -0.00200 -0.00002 -0.00004 0.00017 0.00000 114 3PY -0.00009 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00026 -0.00006 -0.00006 0.00016 0.00000 116 4XX -0.00011 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00015 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 123 2S 0.00049 0.00000 0.00000 -0.00001 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S -0.00004 0.00000 0.00000 0.00000 0.00000 126 2PX -0.00029 0.00000 0.00000 0.00000 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 128 2PZ -0.00029 0.00000 0.00000 0.00000 0.00000 129 3S -0.00170 0.00001 0.00000 0.00000 0.00000 130 3PX -0.00095 0.00001 -0.00001 0.00000 0.00000 131 3PY -0.00014 0.00000 0.00001 -0.00001 0.00000 132 3PZ -0.00168 0.00002 -0.00001 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00006 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00001 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00028 0.00000 0.00000 0.00000 0.00000 144 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00019 0.00000 0.00000 0.00000 0.00000 146 3S -0.00013 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00167 0.00001 0.00000 -0.00001 0.00000 148 3PY -0.00013 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00089 0.00000 0.00000 -0.00001 0.00000 150 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00012 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00008 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00010 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00001 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00005 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 179 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00006 0.00001 0.00000 0.00000 0.00000 101 102 103 104 105 101 4XZ 0.00130 102 4YZ 0.00000 0.00091 103 13 H 1S 0.00104 0.00021 0.21593 104 2S 0.00029 0.00003 0.11187 0.16630 105 14 H 1S 0.00338 0.00098 -0.00052 -0.00841 0.21529 106 2S 0.00078 0.00021 -0.00818 -0.02547 0.11394 107 15 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00017 0.00000 109 2PX 0.00001 0.00000 0.00000 -0.00012 0.00000 110 2PY 0.00000 0.00000 0.00000 -0.00003 0.00000 111 2PZ 0.00001 0.00000 -0.00001 -0.00126 0.00000 112 3S 0.00001 0.00000 -0.00007 -0.00144 0.00000 113 3PX 0.00009 0.00000 -0.00022 -0.00106 0.00004 114 3PY 0.00000 -0.00001 -0.00006 -0.00020 0.00000 115 3PZ 0.00014 0.00000 -0.00067 -0.00527 0.00002 116 4XX 0.00000 0.00000 0.00000 -0.00007 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00011 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 0.00000 0.00000 0.00003 0.00000 123 2S 0.00000 0.00000 0.00001 0.00048 0.00000 124 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 125 2S 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 127 2PY 0.00000 0.00000 0.00000 0.00004 0.00000 128 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 129 3S 0.00001 0.00001 0.00000 0.00028 0.00000 130 3PX 0.00000 0.00000 0.00002 0.00011 0.00000 131 3PY 0.00000 0.00000 -0.00004 0.00013 0.00000 132 3PZ 0.00001 0.00001 0.00001 0.00001 0.00000 133 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 -0.00005 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 142 2S 0.00000 0.00000 0.00000 0.00014 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00058 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00128 0.00000 146 3S 0.00000 0.00000 -0.00014 0.00093 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00353 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00007 0.00000 149 3PZ 0.00000 0.00000 -0.00002 0.00671 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 -0.00008 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00005 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00004 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 161 3S 0.00000 0.00000 0.00000 0.00016 0.00000 162 3PX 0.00000 0.00000 0.00000 -0.00013 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00017 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00016 0.00000 173 2PX 0.00000 0.00000 0.00000 -0.00018 0.00000 174 2PY 0.00000 0.00000 0.00000 -0.00006 0.00000 175 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 176 3S 0.00000 0.00000 -0.00011 -0.00101 0.00000 177 3PX 0.00000 0.00000 0.00017 0.00046 0.00000 178 3PY 0.00000 0.00000 0.00009 0.00062 0.00000 179 3PZ 0.00000 0.00000 -0.00022 0.00006 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00004 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 182 4ZZ 0.00000 0.00000 0.00000 -0.00005 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00002 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 187 2S 0.00000 0.00000 0.00001 0.00025 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 -0.00038 0.00000 189 2S 0.00000 0.00000 0.00030 -0.00172 0.00000 106 107 108 109 110 106 2S 0.15894 107 15 C 1S 0.00000 2.05255 108 2S 0.00001 -0.01389 0.33290 109 2PX 0.00005 0.00000 0.00000 0.34624 110 2PY 0.00000 0.00000 0.00000 0.00000 0.43068 111 2PZ 0.00007 0.00000 0.00000 0.00000 0.00000 112 3S 0.00003 -0.03169 0.22126 0.00000 0.00000 113 3PX 0.00100 0.00000 0.00000 0.09508 0.00000 114 3PY 0.00008 0.00000 0.00000 0.00000 0.07003 115 3PZ 0.00075 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 117 4YY 0.00000 -0.00136 -0.00073 0.00000 0.00000 118 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.00000 -0.00236 0.03823 0.00584 0.03848 123 2S -0.00006 -0.00192 0.02241 0.00248 0.02218 124 17 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 125 2S 0.00000 -0.00065 0.01384 0.00000 0.04296 126 2PX 0.00001 0.00000 0.00000 0.01640 0.00000 127 2PY 0.00000 -0.00287 0.04299 0.00000 0.10300 128 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00002 129 3S 0.00012 0.00011 0.00956 0.00000 0.03200 130 3PX 0.00003 0.00000 0.00000 0.02166 0.00000 131 3PY 0.00003 -0.00013 0.01041 0.00000 0.01886 132 3PZ 0.00015 0.00000 -0.00001 0.00000 0.00002 133 4XX 0.00000 0.00000 -0.00062 0.00000 -0.00167 134 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 135 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 136 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 140 2S 0.00000 0.00024 -0.00382 -0.00027 -0.00595 141 19 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 142 2S 0.00000 -0.00002 0.00105 0.00849 0.00172 143 2PX 0.00000 -0.00025 0.01219 0.01588 0.00664 144 2PY 0.00000 -0.00005 0.00219 0.00605 -0.00067 145 2PZ 0.00000 -0.00011 0.00478 0.01887 0.00319 146 3S 0.00004 0.00061 -0.00733 0.01468 -0.00372 147 3PX 0.00000 -0.00226 0.02342 0.01026 0.00758 148 3PY 0.00000 -0.00071 0.00628 0.00945 -0.00376 149 3PZ -0.00002 -0.00096 0.00741 0.01888 0.00400 150 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 151 4YY 0.00000 -0.00001 0.00013 0.00062 0.00000 152 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 153 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 154 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 155 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 -0.00003 -0.00003 -0.00007 158 2PX 0.00000 0.00000 -0.00005 0.00010 -0.00012 159 2PY 0.00000 0.00000 -0.00016 -0.00010 -0.00033 160 2PZ 0.00000 0.00000 0.00000 -0.00008 -0.00014 161 3S 0.00000 -0.00001 -0.00015 -0.00043 0.00138 162 3PX -0.00001 0.00004 -0.00104 0.00070 -0.00110 163 3PY 0.00000 0.00011 -0.00329 -0.00122 -0.00345 164 3PZ -0.00001 -0.00001 0.00014 -0.00131 -0.00197 165 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00005 166 4YY 0.00000 0.00000 -0.00003 -0.00001 -0.00005 167 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 168 4XY 0.00000 0.00000 0.00002 0.00002 0.00012 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 170 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00016 -0.00030 -0.00018 173 2PX 0.00000 0.00000 -0.00038 -0.00036 -0.00014 174 2PY 0.00000 0.00000 -0.00003 -0.00032 0.00000 175 2PZ 0.00000 0.00000 -0.00024 -0.00062 -0.00016 176 3S 0.00002 0.00009 -0.00099 -0.00291 -0.00149 177 3PX -0.00002 0.00018 -0.00204 -0.00095 -0.00093 178 3PY -0.00001 0.00001 -0.00026 -0.00173 -0.00001 179 3PZ 0.00000 0.00012 -0.00154 -0.00361 -0.00101 180 4XX 0.00000 0.00000 0.00004 0.00011 -0.00001 181 4YY 0.00000 0.00000 -0.00002 -0.00006 0.00000 182 4ZZ 0.00000 0.00000 0.00001 0.00007 -0.00001 183 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00001 0.00009 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00004 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00017 0.00068 0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00008 0.00000 0.00009 -0.00002 -0.00002 111 112 113 114 115 111 2PZ 0.37886 112 3S 0.00000 0.30218 113 3PX 0.00000 0.00000 0.10753 114 3PY 0.00000 0.00000 0.00000 0.05314 115 3PZ 0.09299 0.00000 0.00000 0.00000 0.09331 116 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00003 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S 0.05492 0.05283 0.00178 0.01250 0.02525 123 2S 0.03134 0.03772 -0.00038 0.01029 0.02356 124 17 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 125 2S 0.00001 0.00956 0.00000 0.01034 0.00001 126 2PX 0.00000 0.00000 0.02166 0.00000 0.00000 127 2PY -0.00002 0.03206 0.00000 0.01885 -0.00002 128 2PZ 0.01211 -0.00002 0.00000 0.00001 0.01874 129 3S 0.00002 -0.01174 0.00001 -0.00780 0.00003 130 3PX 0.00000 0.00000 0.02494 0.00000 0.00000 131 3PY -0.00001 -0.00768 0.00000 0.00238 -0.00002 132 3PZ 0.01872 -0.00003 0.00000 0.00002 0.02710 133 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 134 4YY 0.00000 0.00360 0.00000 0.00143 0.00000 135 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 136 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 139 18 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 140 2S -0.00030 -0.01562 -0.00006 -0.00811 0.00008 141 19 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 142 2S 0.00516 -0.01942 -0.00293 0.00273 -0.00508 143 2PX 0.01963 0.00360 0.00058 0.00088 0.00353 144 2PY 0.00302 0.00275 -0.00034 0.00415 0.00004 145 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00137 146 3S 0.00746 -0.06777 -0.00106 0.00117 -0.01271 147 3PX 0.02074 0.00144 -0.00163 0.00035 0.00186 148 3PY 0.00483 0.00728 -0.00035 0.01063 0.00018 149 3PZ -0.00208 0.01220 0.00728 0.00219 -0.00726 150 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 151 4YY 0.00029 0.00064 0.00000 -0.00021 0.00012 152 4ZZ -0.00046 0.00072 0.00113 0.00015 -0.00059 153 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 154 4XZ -0.00009 0.00037 0.00001 0.00003 0.00008 155 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 156 20 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 157 2S -0.00003 0.00175 -0.00001 0.00148 0.00019 158 2PX -0.00008 -0.00098 0.00024 0.00014 -0.00032 159 2PY -0.00004 -0.00391 0.00058 -0.00410 0.00089 160 2PZ 0.00003 0.00032 -0.00092 -0.00147 -0.00037 161 3S -0.00129 0.01002 0.00118 0.01200 -0.00279 162 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00173 163 3PY -0.00069 -0.01561 0.00191 -0.00969 0.00219 164 3PZ -0.00024 0.00200 -0.00341 -0.00489 -0.00288 165 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 166 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 167 4ZZ 0.00000 -0.00010 0.00004 -0.00014 -0.00003 168 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 171 21 C 1S 0.00000 0.00006 0.00014 0.00007 0.00002 172 2S -0.00012 -0.00090 -0.00168 -0.00102 0.00026 173 2PX -0.00041 -0.00264 -0.00116 -0.00012 -0.00122 174 2PY -0.00029 0.00040 -0.00157 -0.00079 -0.00112 175 2PZ -0.00003 -0.00187 -0.00288 -0.00016 0.00021 176 3S -0.00045 0.00149 -0.00488 -0.00286 0.00277 177 3PX -0.00124 -0.00468 -0.00073 -0.00046 -0.00117 178 3PY -0.00153 0.00071 -0.00140 -0.00036 -0.00109 179 3PZ 0.00036 -0.00045 -0.00620 -0.00134 0.00048 180 4XX 0.00010 0.00003 0.00036 0.00003 0.00020 181 4YY -0.00004 -0.00023 -0.00041 0.00006 -0.00032 182 4ZZ 0.00003 0.00025 0.00021 -0.00012 0.00017 183 4XY 0.00004 0.00002 -0.00009 -0.00004 -0.00003 184 4XZ 0.00004 -0.00010 0.00005 0.00002 0.00001 185 4YZ -0.00001 0.00000 0.00002 -0.00005 -0.00004 186 22 H 1S 0.00000 0.00006 0.00029 0.00000 0.00004 187 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 188 23 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 189 2S 0.00051 0.00239 -0.00041 -0.00053 0.00259 116 117 118 119 120 116 4XX 0.00284 117 4YY -0.00027 0.00124 118 4ZZ -0.00019 -0.00008 0.00166 119 4XY 0.00000 0.00000 0.00000 0.00146 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00146 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 H 1S -0.00145 -0.00033 0.00234 0.00042 0.00024 123 2S -0.00255 -0.00044 0.00314 0.00010 0.00003 124 17 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 125 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 126 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 127 2PY -0.00167 0.00314 -0.00128 0.00000 0.00000 128 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 130 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 131 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 134 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 135 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 140 2S 0.00023 -0.00026 0.00027 0.00001 0.00001 141 19 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 142 2S 0.00138 -0.00019 0.00007 0.00090 0.00157 143 2PX -0.00096 -0.00048 0.00157 0.00038 0.00288 144 2PY 0.00097 0.00017 0.00023 0.00025 0.00116 145 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 146 3S 0.00243 -0.00007 -0.00013 0.00096 0.00100 147 3PX -0.00195 -0.00142 0.00390 0.00001 0.00088 148 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 149 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 150 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 151 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 152 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 153 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 154 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 155 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 161 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 162 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 163 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 164 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 -0.00001 0.00002 0.00002 0.00001 173 2PX 0.00005 -0.00002 0.00006 0.00004 0.00006 174 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 175 2PZ 0.00004 -0.00002 0.00003 0.00004 0.00005 176 3S -0.00004 -0.00010 0.00015 0.00005 -0.00005 177 3PX -0.00001 -0.00015 0.00042 0.00005 0.00006 178 3PY -0.00017 0.00003 0.00009 -0.00007 -0.00006 179 3PZ 0.00044 -0.00013 -0.00008 0.00002 -0.00001 180 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00001 184 4XZ 0.00001 0.00000 0.00000 0.00000 0.00001 185 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00009 0.00001 0.00003 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 121 122 123 124 125 121 4YZ 0.00192 122 16 H 1S 0.00376 0.21548 123 2S 0.00063 0.10060 0.12393 124 17 C 1S 0.00000 0.00000 0.00024 2.05255 125 2S 0.00000 -0.00020 -0.00382 -0.01388 0.33286 126 2PX 0.00000 -0.00001 -0.00027 0.00000 0.00000 127 2PY 0.00000 -0.00045 -0.00595 0.00000 0.00000 128 2PZ 0.00234 0.00000 -0.00031 0.00000 0.00000 129 3S 0.00000 -0.00418 -0.01561 -0.03171 0.22139 130 3PX 0.00000 0.00003 -0.00006 0.00000 0.00000 131 3PY 0.00000 -0.00396 -0.00811 0.00000 0.00000 132 3PZ 0.00113 -0.00012 0.00007 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00023 -0.00093 -0.00929 134 4YY 0.00000 0.00001 -0.00027 -0.00136 -0.00071 135 4ZZ 0.00000 0.00000 0.00027 -0.00124 -0.00292 136 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 4YZ -0.00018 0.00004 0.00022 0.00000 0.00000 139 18 H 1S 0.00004 0.00000 -0.00015 -0.00236 0.03822 140 2S 0.00022 -0.00015 0.00011 -0.00192 0.02241 141 19 O 1S -0.00003 0.00000 0.00016 0.00000 0.00000 142 2S 0.00056 -0.00006 -0.00225 0.00000 -0.00003 143 2PX 0.00117 -0.00004 -0.00058 0.00000 -0.00005 144 2PY 0.00016 -0.00001 -0.00012 0.00000 -0.00016 145 2PZ -0.00003 -0.00014 -0.00325 0.00000 0.00000 146 3S 0.00085 -0.00308 -0.01370 -0.00001 -0.00015 147 3PX 0.00071 -0.00017 0.00033 0.00004 -0.00104 148 3PY 0.00045 -0.00010 -0.00030 0.00011 -0.00329 149 3PZ 0.00002 -0.00288 -0.01156 -0.00001 0.00015 150 4XX -0.00001 0.00003 0.00011 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00014 0.00000 -0.00003 152 4ZZ -0.00001 0.00008 0.00047 0.00000 0.00000 153 4XY -0.00003 0.00001 0.00002 0.00000 0.00002 154 4XZ 0.00000 0.00006 0.00007 0.00000 0.00000 155 4YZ 0.00000 0.00001 0.00003 0.00000 0.00002 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00006 157 2S 0.00000 0.00000 0.00003 -0.00002 0.00104 158 2PX 0.00001 0.00000 0.00010 -0.00024 0.01219 159 2PY 0.00001 0.00000 0.00014 -0.00005 0.00217 160 2PZ 0.00000 0.00000 -0.00001 -0.00011 0.00478 161 3S 0.00000 0.00001 0.00029 0.00061 -0.00735 162 3PX 0.00007 0.00002 0.00085 -0.00226 0.02341 163 3PY 0.00009 0.00003 0.00122 -0.00071 0.00623 164 3PZ -0.00001 0.00000 -0.00018 -0.00096 0.00743 165 4XX 0.00000 0.00000 0.00000 -0.00009 0.00127 166 4YY 0.00000 0.00000 0.00002 -0.00001 0.00012 167 4ZZ 0.00000 0.00000 -0.00001 -0.00001 0.00009 168 4XY 0.00000 0.00000 0.00000 -0.00008 0.00087 169 4XZ 0.00000 0.00000 0.00000 -0.00015 0.00131 170 4YZ 0.00000 0.00000 -0.00001 -0.00004 0.00036 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00000 0.00020 0.00000 -0.00016 173 2PX 0.00004 0.00000 0.00020 0.00000 -0.00038 174 2PY 0.00000 0.00000 0.00017 0.00000 -0.00003 175 2PZ 0.00002 0.00000 0.00029 0.00000 -0.00024 176 3S 0.00008 0.00014 0.00131 0.00009 -0.00098 177 3PX 0.00006 0.00015 0.00123 0.00018 -0.00204 178 3PY -0.00006 0.00018 0.00115 0.00001 -0.00026 179 3PZ 0.00004 0.00008 0.00057 0.00012 -0.00154 180 4XX 0.00000 0.00000 0.00001 0.00000 0.00004 181 4YY 0.00000 0.00000 0.00001 0.00000 -0.00002 182 4ZZ 0.00000 0.00000 -0.00003 0.00000 0.00001 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00008 0.00000 0.00017 188 23 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 189 2S 0.00001 -0.00001 -0.00038 0.00000 0.00009 126 127 128 129 130 126 2PX 0.34619 127 2PY 0.00000 0.43072 128 2PZ 0.00000 0.00000 0.37876 129 3S 0.00000 0.00000 0.00000 0.30259 130 3PX 0.09509 0.00000 0.00000 0.00000 0.10752 131 3PY 0.00000 0.07005 0.00000 0.00000 0.00000 132 3PZ 0.00000 0.00000 0.09294 0.00000 0.00000 133 4XX 0.00000 0.00000 0.00000 -0.00700 0.00000 134 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4ZZ 0.00000 0.00000 0.00000 -0.00198 0.00000 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00578 0.03860 0.05485 0.05282 0.00176 140 2S 0.00245 0.02225 0.03131 0.03770 -0.00039 141 19 O 1S 0.00000 0.00000 0.00000 -0.00011 0.00000 142 2S -0.00003 -0.00007 -0.00003 0.00175 -0.00001 143 2PX 0.00010 -0.00012 -0.00007 -0.00098 0.00024 144 2PY -0.00010 -0.00034 -0.00004 -0.00391 0.00057 145 2PZ -0.00008 -0.00014 0.00002 0.00032 -0.00091 146 3S -0.00043 0.00138 -0.00129 0.01002 0.00118 147 3PX 0.00070 -0.00111 -0.00130 -0.00459 -0.00122 148 3PY -0.00123 -0.00347 -0.00068 -0.01562 0.00189 149 3PZ -0.00130 -0.00195 -0.00025 0.00201 -0.00340 150 4XX -0.00001 -0.00005 0.00002 0.00008 -0.00011 151 4YY -0.00001 -0.00005 0.00001 -0.00056 -0.00001 152 4ZZ 0.00001 -0.00002 0.00000 -0.00011 0.00004 153 4XY 0.00002 0.00012 -0.00001 -0.00004 0.00001 154 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 155 4YZ 0.00002 0.00007 0.00000 0.00002 0.00002 156 20 O 1S -0.00048 -0.00006 -0.00028 0.00128 0.00011 157 2S 0.00849 0.00170 0.00516 -0.01941 -0.00292 158 2PX 0.01592 0.00658 0.01964 0.00361 0.00059 159 2PY 0.00600 -0.00067 0.00300 0.00273 -0.00034 160 2PZ 0.01887 0.00317 0.00254 0.00548 0.00691 161 3S 0.01469 -0.00371 0.00746 -0.06780 -0.00103 162 3PX 0.01031 0.00753 0.02078 0.00144 -0.00163 163 3PY 0.00939 -0.00374 0.00480 0.00723 -0.00035 164 3PZ 0.01890 0.00398 -0.00207 0.01221 0.00729 165 4XX -0.00098 0.00103 0.00161 0.00210 -0.00128 166 4YY 0.00061 0.00000 0.00028 0.00064 0.00000 167 4ZZ 0.00030 0.00043 -0.00046 0.00073 0.00114 168 4XY 0.00084 0.00020 0.00115 0.00019 0.00001 169 4XZ 0.00071 0.00034 -0.00008 0.00037 0.00001 170 4YZ 0.00123 0.00018 0.00005 0.00012 0.00021 171 21 C 1S 0.00000 0.00000 0.00000 0.00006 0.00014 172 2S -0.00030 -0.00018 -0.00012 -0.00089 -0.00168 173 2PX -0.00036 -0.00015 -0.00041 -0.00264 -0.00116 174 2PY -0.00032 0.00000 -0.00029 0.00040 -0.00158 175 2PZ -0.00061 -0.00016 -0.00003 -0.00187 -0.00287 176 3S -0.00291 -0.00150 -0.00044 0.00150 -0.00489 177 3PX -0.00095 -0.00094 -0.00124 -0.00468 -0.00074 178 3PY -0.00174 -0.00001 -0.00153 0.00071 -0.00142 179 3PZ -0.00360 -0.00101 0.00036 -0.00045 -0.00619 180 4XX 0.00011 -0.00001 0.00010 0.00003 0.00036 181 4YY -0.00006 0.00000 -0.00004 -0.00023 -0.00041 182 4ZZ 0.00007 -0.00001 0.00003 0.00025 0.00021 183 4XY 0.00000 0.00000 0.00004 0.00002 -0.00009 184 4XZ 0.00009 0.00000 0.00004 -0.00010 0.00005 185 4YZ 0.00004 0.00000 -0.00001 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00006 0.00030 187 2S 0.00068 0.00002 0.00003 -0.00032 0.00313 188 23 H 1S 0.00000 0.00000 0.00000 0.00021 0.00010 189 2S -0.00002 -0.00001 0.00051 0.00239 -0.00042 131 132 133 134 135 131 3PY 0.05312 132 3PZ 0.00000 0.09319 133 4XX 0.00000 0.00000 0.00284 134 4YY 0.00000 0.00000 -0.00027 0.00124 135 4ZZ 0.00000 0.00000 -0.00019 -0.00008 0.00166 136 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.01255 0.02524 -0.00145 -0.00033 0.00234 140 2S 0.01033 0.02356 -0.00256 -0.00043 0.00314 141 19 O 1S -0.00014 0.00000 0.00000 0.00000 0.00000 142 2S 0.00149 0.00019 0.00000 0.00000 0.00000 143 2PX 0.00014 -0.00032 0.00000 0.00001 0.00000 144 2PY -0.00411 0.00089 0.00000 0.00002 0.00000 145 2PZ -0.00146 -0.00037 0.00000 0.00000 0.00000 146 3S 0.01201 -0.00278 -0.00009 0.00013 0.00004 147 3PX 0.00131 -0.00172 -0.00002 0.00012 0.00008 148 3PY -0.00974 0.00219 -0.00010 0.00036 0.00002 149 3PZ -0.00486 -0.00290 0.00004 0.00004 -0.00004 150 4XX -0.00029 0.00020 0.00000 0.00000 0.00000 151 4YY -0.00055 0.00016 0.00000 0.00000 0.00000 152 4ZZ -0.00014 -0.00003 0.00000 0.00000 0.00000 153 4XY 0.00009 -0.00001 0.00000 0.00001 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00024 0.00040 -0.00006 0.00001 0.00000 157 2S 0.00272 -0.00507 0.00138 -0.00019 0.00007 158 2PX 0.00087 0.00354 -0.00096 -0.00048 0.00158 159 2PY 0.00416 0.00003 0.00096 0.00017 0.00023 160 2PZ 0.00110 -0.00136 0.00397 -0.00031 -0.00055 161 3S 0.00116 -0.01269 0.00244 -0.00008 -0.00012 162 3PX 0.00035 0.00189 -0.00195 -0.00143 0.00391 163 3PY 0.01064 0.00017 0.00146 -0.00054 0.00045 164 3PZ 0.00218 -0.00723 0.00628 -0.00099 -0.00197 165 4XX 0.00059 0.00141 -0.00007 -0.00001 0.00008 166 4YY -0.00021 0.00012 0.00010 -0.00004 0.00002 167 4ZZ 0.00015 -0.00059 -0.00001 0.00001 -0.00001 168 4XY 0.00021 0.00007 -0.00005 0.00001 0.00004 169 4XZ 0.00003 0.00008 0.00003 -0.00003 -0.00001 170 4YZ 0.00012 0.00001 0.00016 0.00000 -0.00003 171 21 C 1S 0.00007 0.00002 0.00000 0.00000 0.00000 172 2S -0.00102 0.00026 0.00001 -0.00001 0.00002 173 2PX -0.00013 -0.00122 0.00005 -0.00002 0.00005 174 2PY -0.00078 -0.00112 0.00000 0.00000 0.00003 175 2PZ -0.00017 0.00021 0.00004 -0.00002 0.00003 176 3S -0.00287 0.00277 -0.00004 -0.00010 0.00015 177 3PX -0.00046 -0.00116 -0.00001 -0.00015 0.00042 178 3PY -0.00035 -0.00109 -0.00017 0.00003 0.00009 179 3PZ -0.00134 0.00047 0.00044 -0.00013 -0.00008 180 4XX 0.00003 0.00020 -0.00001 0.00000 0.00001 181 4YY 0.00006 -0.00032 0.00000 0.00000 0.00000 182 4ZZ -0.00012 0.00017 0.00001 0.00000 -0.00001 183 4XY -0.00004 -0.00003 0.00000 0.00000 0.00001 184 4XZ 0.00002 0.00001 0.00001 0.00000 0.00000 185 4YZ -0.00005 -0.00004 0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00004 0.00000 0.00000 0.00000 187 2S 0.00032 -0.00041 -0.00009 0.00001 0.00003 188 23 H 1S -0.00008 0.00018 0.00000 0.00000 0.00000 189 2S -0.00054 0.00258 0.00009 0.00000 -0.00016 136 137 138 139 140 136 4XY 0.00146 137 4XZ 0.00000 0.00147 138 4YZ 0.00000 0.00000 0.00192 139 18 H 1S 0.00041 0.00023 0.00377 0.21550 140 2S 0.00010 0.00003 0.00064 0.10064 0.12401 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00003 143 2PX 0.00001 0.00000 0.00001 0.00000 0.00010 144 2PY 0.00001 0.00000 0.00001 0.00000 0.00014 145 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00001 146 3S 0.00003 -0.00003 0.00000 0.00001 0.00029 147 3PX 0.00007 0.00000 0.00007 0.00002 0.00085 148 3PY 0.00013 -0.00004 0.00009 0.00003 0.00122 149 3PZ 0.00004 0.00000 -0.00001 0.00000 -0.00019 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00001 0.00000 0.00000 0.00000 0.00002 152 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 156 20 O 1S -0.00005 -0.00008 -0.00003 0.00000 0.00016 157 2S 0.00089 0.00157 0.00055 -0.00006 -0.00225 158 2PX 0.00038 0.00289 0.00116 -0.00004 -0.00058 159 2PY 0.00025 0.00115 0.00017 -0.00001 -0.00012 160 2PZ 0.00124 0.00027 -0.00003 -0.00014 -0.00326 161 3S 0.00095 0.00101 0.00085 -0.00308 -0.01369 162 3PX 0.00001 0.00088 0.00070 -0.00017 0.00035 163 3PY 0.00071 0.00076 0.00045 -0.00010 -0.00031 164 3PZ 0.00073 -0.00001 0.00002 -0.00289 -0.01159 165 4XX 0.00004 0.00005 -0.00001 0.00003 0.00011 166 4YY 0.00002 0.00009 0.00001 0.00000 0.00015 167 4ZZ 0.00000 -0.00002 -0.00001 0.00008 0.00047 168 4XY 0.00000 0.00013 -0.00003 0.00001 0.00002 169 4XZ 0.00003 0.00005 0.00000 0.00006 0.00007 170 4YZ -0.00002 0.00001 0.00000 0.00001 0.00004 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00001 0.00002 0.00000 0.00020 173 2PX 0.00004 0.00006 0.00004 0.00000 0.00020 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00017 175 2PZ 0.00004 0.00005 0.00002 0.00000 0.00029 176 3S 0.00005 -0.00005 0.00008 0.00014 0.00131 177 3PX 0.00005 0.00006 0.00006 0.00015 0.00123 178 3PY -0.00007 -0.00006 -0.00006 0.00019 0.00115 179 3PZ 0.00002 -0.00001 0.00004 0.00008 0.00056 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00001 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 182 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 183 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00001 -0.00001 0.00000 0.00008 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 189 2S -0.00001 -0.00003 0.00001 -0.00001 -0.00038 141 142 143 144 145 141 19 O 1S 2.07557 142 2S -0.04159 0.50359 143 2PX 0.00000 0.00000 0.64792 144 2PY 0.00000 0.00000 0.00000 0.66572 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.71641 146 3S -0.04102 0.45245 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.20360 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.21186 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.23205 150 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 151 4YY -0.00042 -0.00456 0.00000 0.00000 0.00000 152 4ZZ -0.00047 -0.00299 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 -0.00001 0.00000 -0.00009 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00002 0.00039 0.00000 -0.00113 0.00000 162 3PX 0.00000 0.00000 0.00005 0.00000 0.00000 163 3PY 0.00002 -0.00063 0.00000 -0.00629 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00014 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00005 -0.00022 -0.00005 172 2S -0.00001 0.00022 0.00252 0.01255 0.00250 173 2PX -0.00012 0.00238 -0.00015 0.01062 0.00214 174 2PY -0.00042 0.00831 0.00934 0.02335 0.01091 175 2PZ -0.00012 0.00237 0.00234 0.01135 -0.00003 176 3S 0.00106 -0.01601 0.00166 0.00999 0.00124 177 3PX 0.00013 -0.00145 0.00017 0.00431 0.00177 178 3PY -0.00015 0.00067 0.00390 0.00084 0.00528 179 3PZ 0.00011 -0.00118 0.00263 0.00440 0.00253 180 4XX 0.00001 -0.00028 0.00005 0.00007 0.00032 181 4YY -0.00008 0.00198 0.00137 -0.00048 0.00163 182 4ZZ 0.00001 -0.00022 0.00030 0.00008 0.00002 183 4XY -0.00004 0.00093 -0.00007 0.00224 0.00136 184 4XZ -0.00001 0.00020 -0.00001 0.00100 -0.00001 185 4YZ -0.00005 0.00114 0.00132 0.00250 -0.00012 186 22 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 187 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 188 23 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 189 2S 0.00005 -0.00073 0.00089 -0.00090 -0.00756 146 147 148 149 150 146 3S 0.75616 147 3PX 0.00000 0.26576 148 3PY 0.00000 0.00000 0.26986 149 3PZ 0.00000 0.00000 0.00000 0.30839 150 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 151 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 152 4ZZ -0.00451 0.00000 0.00000 0.00000 0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00002 0.00000 0.00002 0.00000 0.00000 157 2S 0.00039 0.00000 -0.00063 0.00000 0.00000 158 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 159 2PY -0.00113 0.00000 -0.00629 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 161 3S 0.00661 0.00000 -0.00516 0.00001 -0.00002 162 3PX 0.00000 0.00052 0.00000 0.00000 0.00000 163 3PY -0.00515 0.00000 -0.02517 0.00000 -0.00006 164 3PZ -0.00001 0.00000 0.00000 0.00162 0.00000 165 4XX -0.00002 0.00000 -0.00006 0.00000 0.00000 166 4YY -0.00029 0.00000 0.00002 0.00000 0.00000 167 4ZZ 0.00002 0.00000 -0.00005 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00084 -0.00032 -0.00300 -0.00029 0.00000 172 2S -0.01440 0.00325 0.02929 0.00289 -0.00010 173 2PX 0.00278 -0.00392 0.01403 0.00124 -0.00008 174 2PY 0.00787 0.00863 0.01963 0.01199 -0.00038 175 2PZ 0.00308 0.00161 0.01547 -0.00396 -0.00003 176 3S -0.06226 0.00174 0.02198 -0.00041 0.00031 177 3PX -0.00434 0.00061 0.00668 0.00233 -0.00032 178 3PY -0.00311 0.00455 -0.00009 0.00761 -0.00014 179 3PZ -0.00504 0.00431 0.00682 0.00834 -0.00005 180 4XX -0.00146 -0.00114 0.00041 0.00138 0.00003 181 4YY 0.00616 0.00172 -0.00080 0.00233 -0.00010 182 4ZZ -0.00165 0.00132 0.00023 -0.00139 -0.00003 183 4XY 0.00069 0.00056 0.00092 0.00088 0.00000 184 4XZ 0.00008 0.00004 0.00064 0.00003 0.00000 185 4YZ 0.00088 0.00085 0.00103 0.00059 -0.00006 186 22 H 1S -0.00164 -0.00522 -0.00040 0.00076 0.00010 187 2S -0.00219 -0.02178 -0.00267 0.00434 0.00072 188 23 H 1S -0.00186 0.00063 -0.00064 -0.00614 -0.00001 189 2S -0.00585 0.00420 -0.00310 -0.03003 -0.00022 151 152 153 154 155 151 4YY 0.00294 152 4ZZ -0.00008 0.00079 153 4XY 0.00000 0.00000 0.00161 154 4XZ 0.00000 0.00000 0.00000 0.00045 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00029 0.00002 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 172 2S 0.00279 -0.00007 0.00071 0.00011 0.00088 173 2PX 0.00180 0.00002 0.00006 0.00003 0.00054 174 2PY 0.00190 -0.00017 0.00036 0.00010 0.00075 175 2PZ 0.00188 -0.00009 0.00043 0.00001 0.00002 176 3S 0.00289 0.00029 0.00025 0.00002 0.00030 177 3PX 0.00087 0.00001 0.00017 0.00007 0.00012 178 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 179 3PZ 0.00093 -0.00026 0.00013 0.00005 0.00021 180 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 181 4YY -0.00006 -0.00008 0.00009 -0.00005 0.00010 182 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 184 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 186 22 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 187 2S -0.00028 -0.00024 -0.00009 0.00002 0.00001 188 23 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 189 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 156 157 158 159 160 156 20 O 1S 2.07557 157 2S -0.04159 0.50358 158 2PX 0.00000 0.00000 0.64786 159 2PY 0.00000 0.00000 0.00000 0.66548 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.71669 161 3S -0.04102 0.45246 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.20359 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.21176 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.23221 165 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 166 4YY -0.00043 -0.00456 0.00000 0.00000 0.00000 167 4ZZ -0.00047 -0.00300 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00005 -0.00022 -0.00005 172 2S -0.00001 0.00022 0.00252 0.01258 0.00248 173 2PX -0.00012 0.00238 -0.00015 0.01064 0.00212 174 2PY -0.00042 0.00833 0.00935 0.02349 0.01087 175 2PZ -0.00012 0.00235 0.00232 0.01131 -0.00005 176 3S 0.00106 -0.01601 0.00166 0.01001 0.00123 177 3PX 0.00013 -0.00145 0.00018 0.00432 0.00176 178 3PY -0.00015 0.00067 0.00391 0.00086 0.00527 179 3PZ 0.00011 -0.00118 0.00262 0.00438 0.00256 180 4XX 0.00001 -0.00028 0.00005 0.00007 0.00031 181 4YY -0.00008 0.00199 0.00137 -0.00047 0.00163 182 4ZZ 0.00001 -0.00022 0.00029 0.00008 0.00003 183 4XY -0.00004 0.00093 -0.00007 0.00225 0.00135 184 4XZ -0.00001 0.00019 -0.00001 0.00099 -0.00001 185 4YZ -0.00005 0.00113 0.00131 0.00250 -0.00012 186 22 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 187 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 188 23 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 189 2S 0.00005 -0.00073 0.00089 -0.00091 -0.00755 161 162 163 164 165 161 3S 0.75617 162 3PX 0.00000 0.26574 163 3PY 0.00000 0.00000 0.26973 164 3PZ 0.00000 0.00000 0.00000 0.30868 165 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 166 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 167 4ZZ -0.00452 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00084 -0.00032 -0.00300 -0.00029 0.00000 172 2S -0.01440 0.00325 0.02935 0.00285 -0.00010 173 2PX 0.00278 -0.00392 0.01404 0.00122 -0.00008 174 2PY 0.00789 0.00864 0.01977 0.01194 -0.00038 175 2PZ 0.00306 0.00159 0.01540 -0.00395 -0.00003 176 3S -0.06227 0.00174 0.02202 -0.00042 0.00031 177 3PX -0.00434 0.00062 0.00669 0.00232 -0.00032 178 3PY -0.00313 0.00457 -0.00008 0.00758 -0.00014 179 3PZ -0.00502 0.00429 0.00679 0.00841 -0.00005 180 4XX -0.00147 -0.00113 0.00042 0.00137 0.00003 181 4YY 0.00618 0.00173 -0.00079 0.00233 -0.00010 182 4ZZ -0.00165 0.00131 0.00021 -0.00138 -0.00003 183 4XY 0.00069 0.00056 0.00093 0.00087 0.00000 184 4XZ 0.00007 0.00004 0.00063 0.00004 0.00000 185 4YZ 0.00087 0.00085 0.00103 0.00060 -0.00006 186 22 H 1S -0.00165 -0.00522 -0.00040 0.00076 0.00010 187 2S -0.00219 -0.02178 -0.00266 0.00432 0.00072 188 23 H 1S -0.00186 0.00063 -0.00065 -0.00614 -0.00001 189 2S -0.00584 0.00420 -0.00314 -0.03000 -0.00022 166 167 168 169 170 166 4YY 0.00294 167 4ZZ -0.00008 0.00079 168 4XY 0.00000 0.00000 0.00161 169 4XZ 0.00000 0.00000 0.00000 0.00045 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 171 21 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 172 2S 0.00280 -0.00007 0.00072 0.00011 0.00087 173 2PX 0.00181 0.00001 0.00006 0.00003 0.00054 174 2PY 0.00191 -0.00017 0.00037 0.00010 0.00074 175 2PZ 0.00188 -0.00009 0.00043 0.00002 0.00003 176 3S 0.00290 0.00029 0.00025 0.00002 0.00030 177 3PX 0.00088 0.00000 0.00017 0.00007 0.00012 178 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 179 3PZ 0.00092 -0.00026 0.00013 0.00005 0.00021 180 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 181 4YY -0.00005 -0.00008 0.00009 -0.00005 0.00010 182 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 184 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 186 22 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 187 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 188 23 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 189 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 171 172 173 174 175 171 21 C 1S 2.04980 172 2S -0.01427 0.34291 173 2PX 0.00000 0.00000 0.42800 174 2PY 0.00000 0.00000 0.00000 0.29269 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.42493 176 3S -0.02762 0.21128 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.08852 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.04043 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.08274 180 4XX -0.00141 0.00019 0.00000 0.00000 0.00000 181 4YY -0.00104 -0.00728 0.00000 0.00000 0.00000 182 4ZZ -0.00140 -0.00031 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00189 0.03334 0.09738 0.00000 0.00388 187 2S -0.00112 0.01681 0.05687 0.00000 0.00316 188 23 H 1S -0.00189 0.03298 0.00486 0.00000 0.09574 189 2S -0.00105 0.01599 0.00407 0.00000 0.05687 176 177 178 179 180 176 3S 0.23348 177 3PX 0.00000 0.06205 178 3PY 0.00000 0.00000 0.02606 179 3PZ 0.00000 0.00000 0.00000 0.06494 180 4XX 0.00151 0.00000 0.00000 0.00000 0.00335 181 4YY -0.00812 0.00000 0.00000 0.00000 -0.00041 182 4ZZ 0.00201 0.00000 0.00000 0.00000 -0.00055 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.03985 0.04871 0.00000 0.00027 0.00896 187 2S 0.02109 0.04009 0.00000 -0.00020 0.00902 188 23 H 1S 0.04348 0.00167 0.00000 0.04187 -0.00142 189 2S 0.03017 0.00183 0.00000 0.02578 -0.00569 181 182 183 184 185 181 4YY 0.00343 182 4ZZ -0.00046 0.00350 183 4XY 0.00000 0.00000 0.00248 184 4XZ 0.00000 0.00000 0.00000 0.00106 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00274 186 22 H 1S -0.00137 -0.00146 0.00000 0.00049 0.00000 187 2S -0.00240 -0.00536 0.00000 0.00008 0.00000 188 23 H 1S -0.00145 0.00894 0.00000 0.00061 0.00000 189 2S -0.00314 0.01031 0.00000 0.00010 0.00000 186 187 188 189 186 22 H 1S 0.22350 187 2S 0.11455 0.16577 188 23 H 1S -0.00073 -0.01186 0.22401 189 2S -0.01284 -0.04733 0.12137 0.19872 Gross orbital populations: 1 1 1 C 1S 1.99262 2 2S 0.70385 3 2PX 0.61232 4 2PY 0.72539 5 2PZ 0.68250 6 3S 0.59606 7 3PX 0.32780 8 3PY 0.24306 9 3PZ 0.25793 10 4XX -0.01516 11 4YY 0.01157 12 4ZZ -0.00535 13 4XY 0.00395 14 4XZ 0.00661 15 4YZ 0.00631 16 2 H 1S 0.53358 17 2S 0.34362 18 3 C 1S 1.99191 19 2S 0.70503 20 2PX 0.64890 21 2PY 0.74800 22 2PZ 0.68315 23 3S 0.50000 24 3PX 0.32207 25 3PY 0.20196 26 3PZ 0.30107 27 4XX -0.01177 28 4YY 0.00154 29 4ZZ -0.00526 30 4XY 0.00869 31 4XZ 0.00540 32 4YZ 0.00997 33 4 H 1S 0.53307 34 2S 0.35110 35 5 C 1S 1.99191 36 2S 0.70499 37 2PX 0.64897 38 2PY 0.74791 39 2PZ 0.68318 40 3S 0.50004 41 3PX 0.32191 42 3PY 0.20210 43 3PZ 0.30108 44 4XX -0.01176 45 4YY 0.00155 46 4ZZ -0.00529 47 4XY 0.00869 48 4XZ 0.00540 49 4YZ 0.00997 50 6 H 1S 0.53307 51 2S 0.35111 52 7 C 1S 1.99262 53 2S 0.70382 54 2PX 0.61237 55 2PY 0.72531 56 2PZ 0.68242 57 3S 0.59633 58 3PX 0.32758 59 3PY 0.24316 60 3PZ 0.25793 61 4XX -0.01514 62 4YY 0.01156 63 4ZZ -0.00535 64 4XY 0.00395 65 4XZ 0.00662 66 4YZ 0.00631 67 8 H 1S 0.53359 68 2S 0.34359 69 9 C 1S 1.99220 70 2S 0.68132 71 2PX 0.72501 72 2PY 0.68458 73 2PZ 0.69613 74 3S 0.58933 75 3PX 0.33283 76 3PY 0.27006 77 3PZ 0.28728 78 4XX 0.00505 79 4YY -0.00217 80 4ZZ -0.00062 81 4XY 0.00716 82 4XZ 0.00969 83 4YZ 0.00762 84 10 H 1S 0.52953 85 2S 0.32408 86 11 H 1S 0.53199 87 2S 0.32148 88 12 C 1S 1.99220 89 2S 0.68131 90 2PX 0.72497 91 2PY 0.68462 92 2PZ 0.69615 93 3S 0.58935 94 3PX 0.33284 95 3PY 0.27014 96 3PZ 0.28725 97 4XX 0.00504 98 4YY -0.00216 99 4ZZ -0.00062 100 4XY 0.00717 101 4XZ 0.00968 102 4YZ 0.00761 103 13 H 1S 0.53198 104 2S 0.32147 105 14 H 1S 0.52952 106 2S 0.32410 107 15 C 1S 1.99219 108 2S 0.70396 109 2PX 0.59320 110 2PY 0.75704 111 2PZ 0.65435 112 3S 0.49484 113 3PX 0.25387 114 3PY 0.17393 115 3PZ 0.26765 116 4XX -0.00743 117 4YY 0.00525 118 4ZZ -0.00002 119 4XY 0.01113 120 4XZ 0.01090 121 4YZ 0.01425 122 16 H 1S 0.52970 123 2S 0.30211 124 17 C 1S 1.99219 125 2S 0.70392 126 2PX 0.59314 127 2PY 0.75713 128 2PZ 0.65423 129 3S 0.49512 130 3PX 0.25387 131 3PY 0.17405 132 3PZ 0.26756 133 4XX -0.00742 134 4YY 0.00528 135 4ZZ -0.00003 136 4XY 0.01111 137 4XZ 0.01091 138 4YZ 0.01425 139 18 H 1S 0.52971 140 2S 0.30215 141 19 O 1S 1.99234 142 2S 0.89932 143 2PX 0.93698 144 2PY 0.96369 145 2PZ 1.01223 146 3S 1.00624 147 3PX 0.52120 148 3PY 0.55969 149 3PZ 0.56865 150 4XX 0.00128 151 4YY -0.00123 152 4ZZ -0.00483 153 4XY 0.00766 154 4XZ 0.00371 155 4YZ 0.00696 156 20 O 1S 1.99234 157 2S 0.89931 158 2PX 0.93691 159 2PY 0.96342 160 2PZ 1.01256 161 3S 1.00627 162 3PX 0.52119 163 3PY 0.55952 164 3PZ 0.56899 165 4XX 0.00129 166 4YY -0.00121 167 4ZZ -0.00485 168 4XY 0.00765 169 4XZ 0.00372 170 4YZ 0.00695 171 21 C 1S 1.99193 172 2S 0.70992 173 2PX 0.72996 174 2PY 0.53058 175 2PZ 0.72498 176 3S 0.45533 177 3PX 0.24758 178 3PY 0.09849 179 3PZ 0.23706 180 4XX 0.01406 181 4YY 0.00335 182 4ZZ 0.01373 183 4XY 0.01769 184 4XZ 0.00681 185 4YZ 0.01936 186 22 H 1S 0.54013 187 2S 0.30935 188 23 H 1S 0.54161 189 2S 0.31782 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.999116 0.361918 0.553608 -0.052125 -0.043975 0.006076 2 H 0.361918 0.613632 -0.042415 -0.007996 0.007378 -0.000145 3 C 0.553608 -0.042415 4.905877 0.367122 0.509930 -0.051736 4 H -0.052125 -0.007996 0.367122 0.624235 -0.051765 -0.007408 5 C -0.043975 0.007378 0.509930 -0.051765 4.906613 0.367140 6 H 0.006076 -0.000145 -0.051736 -0.007408 0.367140 0.624205 7 C -0.022709 0.000136 -0.043919 0.006078 0.553221 -0.052129 8 H 0.000138 -0.000004 0.007381 -0.000145 -0.042418 -0.007993 9 C -0.033031 0.005215 -0.031234 -0.000156 -0.023504 0.005697 10 H 0.002377 -0.000112 0.001692 -0.000001 -0.005874 -0.000050 11 H 0.001393 -0.000156 0.001072 0.000017 0.003498 -0.000199 12 C 0.374519 -0.051205 -0.023535 0.005699 -0.031227 -0.000155 13 H -0.033808 -0.000665 0.003488 -0.000199 0.001075 0.000017 14 H -0.039442 -0.000656 -0.005854 -0.000050 0.001684 -0.000001 15 C 0.109523 -0.008884 -0.016783 0.000633 -0.022865 -0.000075 16 H -0.018575 -0.000376 -0.004212 0.000297 0.002111 0.000020 17 C -0.006314 0.001095 -0.022806 -0.000073 -0.017014 0.000629 18 H 0.001042 -0.000033 0.002103 0.000020 -0.004218 0.000299 19 O -0.010785 0.000523 0.000576 -0.000014 0.000475 0.000001 20 O -0.000387 -0.000011 0.000473 0.000001 0.000584 -0.000014 21 C 0.000262 -0.000038 -0.000126 0.000000 -0.000127 0.000000 22 H -0.000074 0.000000 0.000006 0.000000 0.000006 0.000000 23 H 0.000712 0.000009 -0.000061 0.000000 -0.000062 0.000000 7 8 9 10 11 12 1 C -0.022709 0.000138 -0.033031 0.002377 0.001393 0.374519 2 H 0.000136 -0.000004 0.005215 -0.000112 -0.000156 -0.051205 3 C -0.043919 0.007381 -0.031234 0.001692 0.001072 -0.023535 4 H 0.006078 -0.000145 -0.000156 -0.000001 0.000017 0.005699 5 C 0.553221 -0.042418 -0.023504 -0.005874 0.003498 -0.031227 6 H -0.052129 -0.007993 0.005697 -0.000050 -0.000199 -0.000155 7 C 4.999428 0.361909 0.374441 -0.039431 -0.033814 -0.033017 8 H 0.361909 0.613637 -0.051193 -0.000657 -0.000667 0.005215 9 C 0.374441 -0.051193 5.060596 0.375813 0.352764 0.333673 10 H -0.039431 -0.000657 0.375813 0.602082 -0.042557 -0.034051 11 H -0.033814 -0.000667 0.352764 -0.042557 0.605913 -0.027678 12 C -0.033017 0.005215 0.333673 -0.034051 -0.027678 5.060538 13 H 0.001383 -0.000156 -0.027667 0.004407 -0.012409 0.352734 14 H 0.002390 -0.000112 -0.034071 -0.012448 0.004403 0.375834 15 C -0.006332 0.001104 -0.014442 0.000341 0.000554 -0.004073 16 H 0.001040 -0.000034 0.000286 0.000003 -0.000050 0.000456 17 C 0.109798 -0.008923 -0.004168 0.002067 -0.010482 -0.014395 18 H -0.018688 -0.000385 0.000467 -0.000059 0.000522 0.000285 19 O -0.000390 -0.000011 0.000324 -0.000028 0.000123 -0.004502 20 O -0.010808 0.000524 -0.004489 0.000029 0.013060 0.000317 21 C 0.000260 -0.000038 -0.000443 -0.000014 -0.000289 -0.000447 22 H -0.000074 0.000000 0.000065 -0.000002 0.000258 0.000065 23 H 0.000715 0.000009 0.000519 0.000088 -0.001797 0.000526 13 14 15 16 17 18 1 C -0.033808 -0.039442 0.109523 -0.018575 -0.006314 0.001042 2 H -0.000665 -0.000656 -0.008884 -0.000376 0.001095 -0.000033 3 C 0.003488 -0.005854 -0.016783 -0.004212 -0.022806 0.002103 4 H -0.000199 -0.000050 0.000633 0.000297 -0.000073 0.000020 5 C 0.001075 0.001684 -0.022865 0.002111 -0.017014 -0.004218 6 H 0.000017 -0.000001 -0.000075 0.000020 0.000629 0.000299 7 C 0.001383 0.002390 -0.006332 0.001040 0.109798 -0.018688 8 H -0.000156 -0.000112 0.001104 -0.000034 -0.008923 -0.000385 9 C -0.027667 -0.034071 -0.014442 0.000286 -0.004168 0.000467 10 H 0.004407 -0.012448 0.000341 0.000003 0.002067 -0.000059 11 H -0.012409 0.004403 0.000554 -0.000050 -0.010482 0.000522 12 C 0.352734 0.375834 -0.004073 0.000456 -0.014395 0.000285 13 H 0.605962 -0.042584 -0.010527 0.000522 0.000553 -0.000050 14 H -0.042584 0.602114 0.002061 -0.000059 0.000341 0.000003 15 C -0.010527 0.002061 4.923574 0.381023 0.490225 -0.042174 16 H 0.000522 -0.000059 0.381023 0.540619 -0.042184 -0.000191 17 C 0.000553 0.000341 0.490225 -0.042184 4.923849 0.381030 18 H -0.000050 0.000003 -0.042174 -0.000191 0.381030 0.540796 19 O 0.013092 0.000029 0.230711 -0.036727 -0.039174 0.002500 20 O 0.000124 -0.000028 -0.039168 0.002501 0.230573 -0.036741 21 C -0.000292 -0.000014 -0.058167 0.005651 -0.058185 0.005646 22 H 0.000259 -0.000002 0.003978 0.000081 0.003986 0.000082 23 H -0.001805 0.000088 0.004893 -0.000393 0.004880 -0.000394 19 20 21 22 23 1 C -0.010785 -0.000387 0.000262 -0.000074 0.000712 2 H 0.000523 -0.000011 -0.000038 0.000000 0.000009 3 C 0.000576 0.000473 -0.000126 0.000006 -0.000061 4 H -0.000014 0.000001 0.000000 0.000000 0.000000 5 C 0.000475 0.000584 -0.000127 0.000006 -0.000062 6 H 0.000001 -0.000014 0.000000 0.000000 0.000000 7 C -0.000390 -0.010808 0.000260 -0.000074 0.000715 8 H -0.000011 0.000524 -0.000038 0.000000 0.000009 9 C 0.000324 -0.004489 -0.000443 0.000065 0.000519 10 H -0.000028 0.000029 -0.000014 -0.000002 0.000088 11 H 0.000123 0.013060 -0.000289 0.000258 -0.001797 12 C -0.004502 0.000317 -0.000447 0.000065 0.000526 13 H 0.013092 0.000124 -0.000292 0.000259 -0.001805 14 H 0.000029 -0.000028 -0.000014 -0.000002 0.000088 15 C 0.230711 -0.039168 -0.058167 0.003978 0.004893 16 H -0.036727 0.002501 0.005651 0.000081 -0.000393 17 C -0.039174 0.230573 -0.058185 0.003986 0.004880 18 H 0.002500 -0.036741 0.005646 0.000082 -0.000394 19 O 8.190455 -0.042481 0.255598 -0.035478 -0.050921 20 O -0.042481 8.190683 0.255713 -0.035489 -0.050924 21 C 0.255598 0.255713 4.669036 0.366208 0.360636 22 H -0.035478 -0.035489 0.366208 0.618365 -0.072758 23 H -0.050921 -0.050924 0.360636 -0.072758 0.665465 Mulliken charges: 1 1 C -0.149457 2 H 0.122791 3 C -0.110648 4 H 0.115831 5 C -0.110665 6 H 0.115820 7 C -0.149488 8 H 0.122818 9 C -0.285460 10 H 0.146384 11 H 0.146522 12 C -0.285576 13 H 0.146546 14 H 0.146373 15 C 0.074871 16 H 0.168189 17 C 0.074689 18 H 0.168138 19 O -0.473896 20 O -0.474042 21 C 0.199170 22 H 0.150516 23 H 0.140575 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.026666 3 C 0.005182 5 C 0.005155 7 C -0.026670 9 C 0.007446 12 C 0.007343 15 C 0.243060 17 C 0.242827 19 O -0.473896 20 O -0.474042 21 C 0.490261 APT charges: 1 1 C 0.123133 2 H -0.027102 3 C -0.098604 4 H 0.001885 5 C -0.099784 6 H 0.001938 7 C 0.123904 8 H -0.027084 9 C 0.068951 10 H -0.041884 11 H -0.021303 12 C 0.068939 13 H -0.021287 14 H -0.041906 15 C 0.346114 16 H 0.008221 17 C 0.345386 18 H 0.008083 19 O -0.678847 20 O -0.678148 21 C 0.788508 22 H -0.078413 23 H -0.070700 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.096032 3 C -0.096720 5 C -0.097846 7 C 0.096820 9 C 0.005764 12 C 0.005746 15 C 0.354336 17 C 0.353469 19 O -0.678847 20 O -0.678148 21 C 0.639395 Electronic spatial extent (au): = 1462.9178 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2916 Y= -0.0010 Z= -0.2506 Tot= 0.3845 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0605 YY= -66.2577 ZZ= -61.0978 XY= 0.0030 XZ= -2.5911 YZ= -0.0042 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5885 YY= -1.7857 ZZ= 3.3742 XY= 0.0030 XZ= -2.5911 YZ= -0.0042 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -35.3387 YYY= 0.0095 ZZZ= -4.5874 XYY= 4.5856 XXY= -0.0150 XXZ= 2.3229 XZZ= -4.2934 YZZ= -0.0053 YYZ= -4.6296 XYZ= 0.0107 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.4049 YYYY= -454.0228 ZZZZ= -400.8081 XXXY= 0.0354 XXXZ= -25.2335 YYYX= -0.0023 YYYZ= -0.0030 ZZZX= 1.4149 ZZZY= 0.0218 XXYY= -270.3180 XXZZ= -230.4649 YYZZ= -137.0174 XXYZ= -0.0219 YYXZ= -2.4747 ZZXY= -0.0058 N-N= 6.505281472899D+02 E-N=-2.466024907644D+03 KE= 4.958566814076D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176877 29.026248 2 O -19.176787 29.026255 3 O -10.292298 15.888379 4 O -10.238598 15.880971 5 O -10.238016 15.892083 6 O -10.186446 15.888516 7 O -10.186399 15.885998 8 O -10.180367 15.882765 9 O -10.180191 15.889177 10 O -10.169362 15.876100 11 O -10.168858 15.885777 12 O -1.107165 2.296515 13 O -1.013194 2.785725 14 O -0.829083 1.400526 15 O -0.765909 1.721694 16 O -0.733692 1.473748 17 O -0.728675 1.513930 18 O -0.643759 1.895223 19 O -0.614529 1.756575 20 O -0.603985 1.457173 21 O -0.584674 1.408520 22 O -0.532371 1.336108 23 O -0.511526 1.178855 24 O -0.494177 0.996014 25 O -0.470195 1.352499 26 O -0.446715 1.573898 27 O -0.443552 1.142254 28 O -0.441059 1.574438 29 O -0.405579 1.357449 30 O -0.397902 1.212971 31 O -0.389632 1.719250 32 O -0.384145 1.292243 33 O -0.373273 1.574700 34 O -0.355256 2.367316 35 O -0.348811 1.413601 36 O -0.328582 1.796783 37 O -0.319426 1.469959 38 O -0.317077 1.391317 39 O -0.286256 1.368494 40 O -0.198002 1.279593 41 O -0.185595 1.798702 42 V -0.006984 1.479559 43 V 0.010187 1.673674 44 V 0.083775 0.939928 45 V 0.112320 0.984351 46 V 0.119129 1.770360 47 V 0.122481 1.842173 48 V 0.123163 1.000667 49 V 0.135171 1.073495 50 V 0.144248 1.535401 51 V 0.145258 1.041253 52 V 0.163937 1.653292 53 V 0.171447 1.388504 54 V 0.177645 1.367703 55 V 0.192701 1.270983 56 V 0.197763 2.353137 57 V 0.203003 1.219662 58 V 0.228839 1.314983 59 V 0.236117 1.143491 60 V 0.242706 1.412154 61 V 0.249121 1.439821 62 V 0.304393 1.683465 63 V 0.313626 1.479590 64 V 0.326620 1.752143 65 V 0.370134 2.525749 66 V 0.432160 1.929597 67 V 0.473976 1.814285 68 V 0.477967 1.842626 69 V 0.491398 1.615924 70 V 0.508288 2.036141 71 V 0.523166 2.095767 72 V 0.546524 2.522251 73 V 0.547876 1.756297 74 V 0.548671 2.108284 75 V 0.568900 2.371416 76 V 0.579350 2.171816 77 V 0.607436 2.323764 78 V 0.613358 1.950969 79 V 0.618232 1.942521 80 V 0.636312 2.358944 81 V 0.663094 2.521648 82 V 0.678634 2.531989 83 V 0.712837 2.399557 84 V 0.722933 2.418556 85 V 0.740946 2.512555 86 V 0.751907 2.579649 87 V 0.775355 2.174109 88 V 0.795758 2.393655 89 V 0.798768 2.614782 90 V 0.810675 2.533448 91 V 0.828476 2.500821 92 V 0.842038 2.285563 93 V 0.854433 2.766095 94 V 0.864512 2.706368 95 V 0.880610 2.597158 96 V 0.884458 2.490010 97 V 0.885201 2.709987 98 V 0.887091 2.868252 99 V 0.898058 2.577314 100 V 0.913815 2.700640 101 V 0.937171 2.656061 102 V 0.940290 2.589329 103 V 0.951221 2.714877 104 V 1.007942 2.256271 105 V 1.014401 2.335752 106 V 1.022976 2.836229 107 V 1.027211 2.465495 108 V 1.092061 3.076152 109 V 1.099188 2.654819 110 V 1.114150 2.822907 111 V 1.149195 2.615991 112 V 1.151824 2.999901 113 V 1.189414 2.470833 114 V 1.204057 2.548061 115 V 1.251291 2.394816 116 V 1.264416 2.522657 117 V 1.367265 2.620235 118 V 1.370425 2.851712 119 V 1.398330 2.557529 120 V 1.427130 2.655632 121 V 1.432157 2.569744 122 V 1.438581 2.643504 123 V 1.475731 2.604504 124 V 1.492051 2.727401 125 V 1.526430 2.731791 126 V 1.585295 2.729155 127 V 1.639977 2.848193 128 V 1.661067 2.867770 129 V 1.720428 2.847788 130 V 1.723418 2.955936 131 V 1.758449 2.890025 132 V 1.770892 3.084062 133 V 1.794195 3.089676 134 V 1.860003 3.080328 135 V 1.877763 3.223120 136 V 1.885334 3.369044 137 V 1.908418 3.243825 138 V 1.935590 3.247675 139 V 1.958248 3.419681 140 V 1.976508 3.549558 141 V 1.978366 3.700024 142 V 1.981028 3.550784 143 V 2.000550 3.502649 144 V 2.019375 3.666140 145 V 2.041553 3.521438 146 V 2.088882 3.490906 147 V 2.120240 3.689718 148 V 2.140796 3.517696 149 V 2.160271 3.640908 150 V 2.230076 3.505879 151 V 2.254873 3.549579 152 V 2.262047 3.557659 153 V 2.279830 3.600123 154 V 2.291952 3.680084 155 V 2.309558 3.817511 156 V 2.318535 3.601928 157 V 2.371177 3.779117 158 V 2.401507 3.844958 159 V 2.434366 3.875157 160 V 2.448093 3.771401 161 V 2.451441 3.854187 162 V 2.484073 3.927506 163 V 2.522290 3.909431 164 V 2.545396 4.007151 165 V 2.598894 4.362566 166 V 2.627397 4.427832 167 V 2.645172 4.262158 168 V 2.675697 4.223218 169 V 2.692957 4.304574 170 V 2.694420 4.368995 171 V 2.736156 4.291629 172 V 2.765951 4.303112 173 V 2.803868 4.577574 174 V 2.866858 4.485899 175 V 2.879924 4.651860 176 V 2.944564 4.768111 177 V 3.105786 4.916608 178 V 3.131183 4.838720 179 V 4.006252 10.862561 180 V 4.105732 10.794543 181 V 4.127668 10.147715 182 V 4.252015 10.394824 183 V 4.268097 10.250020 184 V 4.362046 10.479279 185 V 4.370187 10.258825 186 V 4.448554 10.340474 187 V 4.489353 10.367766 188 V 4.649641 10.705339 189 V 4.874498 11.552490 Total kinetic energy from orbitals= 4.958566814076D+02 Exact polarizability: 121.191 0.013 96.577 -6.401 -0.005 86.091 Approx polarizability: 204.013 0.062 180.116 -8.215 0.013 127.239 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -528.8416 -6.5740 -0.0006 -0.0001 0.0008 1.5151 Low frequencies --- 12.4922 98.4835 122.9942 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 22.6400668 5.1134928 9.0353585 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- -528.8415 98.4787 122.9906 Red. masses -- 6.9479 4.2689 2.4711 Frc consts -- 1.1449 0.0244 0.0220 IR Inten -- 0.4129 0.0098 10.0873 Atom AN X Y Z X Y Z X Y Z 1 6 0.33 -0.08 0.14 -0.19 0.06 0.02 -0.01 0.00 0.03 2 1 0.16 -0.06 0.05 -0.31 0.06 0.07 -0.02 0.00 0.03 3 6 0.01 -0.06 0.03 -0.08 -0.09 0.02 -0.02 0.00 0.02 4 1 -0.16 0.01 -0.14 -0.14 -0.17 0.03 -0.03 0.00 0.01 5 6 0.01 0.06 0.03 0.08 -0.09 -0.02 -0.02 0.00 0.02 6 1 -0.16 -0.01 -0.14 0.14 -0.17 -0.03 -0.03 0.00 0.01 7 6 0.33 0.08 0.14 0.19 0.06 -0.01 -0.01 0.00 0.03 8 1 0.16 0.06 0.05 0.31 0.06 -0.07 -0.01 0.00 0.03 9 6 0.00 0.00 -0.02 0.07 0.15 -0.02 0.03 0.00 0.04 10 1 -0.11 -0.02 0.11 0.07 0.10 0.02 0.05 -0.01 0.02 11 1 -0.03 0.01 -0.14 0.09 0.24 -0.08 0.04 0.01 0.08 12 6 0.00 0.00 -0.02 -0.07 0.15 0.02 0.03 0.00 0.04 13 1 -0.03 -0.01 -0.14 -0.09 0.24 0.08 0.04 -0.01 0.08 14 1 -0.11 0.02 0.10 -0.07 0.10 -0.01 0.06 0.01 0.02 15 6 -0.28 0.10 -0.20 0.05 0.06 -0.06 0.00 0.00 -0.02 16 1 0.23 -0.15 0.19 0.07 0.18 -0.15 0.04 0.00 -0.01 17 6 -0.28 -0.10 -0.20 -0.05 0.06 0.06 0.00 0.00 -0.02 18 1 0.23 0.15 0.19 -0.07 0.18 0.15 0.04 0.00 -0.01 19 8 -0.03 -0.02 0.03 0.03 -0.08 -0.15 -0.09 0.01 -0.13 20 8 -0.03 0.02 0.03 -0.03 -0.08 0.15 -0.09 -0.01 -0.13 21 6 -0.04 0.00 0.01 0.00 -0.18 0.00 0.18 0.00 0.15 22 1 -0.04 0.00 0.01 0.00 -0.18 0.00 0.11 0.00 0.63 23 1 -0.04 0.00 0.01 0.00 -0.30 0.00 0.67 0.00 0.06 4 5 6 A A A Frequencies -- 135.1212 172.9833 199.9876 Red. masses -- 4.5129 4.0397 1.8500 Frc consts -- 0.0485 0.0712 0.0436 IR Inten -- 0.0263 0.4476 0.0462 Atom AN X Y Z X Y Z X Y Z 1 6 0.21 -0.07 0.16 0.04 0.00 0.06 0.00 0.02 -0.01 2 1 0.29 -0.08 0.22 0.04 0.00 0.07 0.03 0.01 -0.02 3 6 0.08 -0.02 0.08 -0.05 0.00 -0.06 0.02 0.03 0.02 4 1 0.16 -0.05 0.15 -0.15 0.00 -0.13 0.06 0.02 0.06 5 6 -0.08 -0.02 -0.08 -0.05 0.00 -0.06 -0.02 0.03 -0.02 6 1 -0.16 -0.05 -0.15 -0.15 0.00 -0.13 -0.06 0.02 -0.06 7 6 -0.21 -0.07 -0.16 0.04 0.00 0.06 0.00 0.02 0.01 8 1 -0.28 -0.08 -0.22 0.04 0.00 0.07 -0.03 0.01 0.02 9 6 0.03 0.01 -0.05 0.21 0.00 0.11 0.16 -0.01 0.05 10 1 0.20 0.04 -0.23 0.30 0.01 0.02 0.42 -0.21 -0.10 11 1 0.10 0.05 0.13 0.24 -0.02 0.23 0.31 0.16 0.31 12 6 -0.03 0.01 0.05 0.21 0.00 0.11 -0.16 -0.01 -0.05 13 1 -0.10 0.05 -0.13 0.24 0.02 0.23 -0.31 0.16 -0.31 14 1 -0.20 0.04 0.23 0.30 -0.01 0.02 -0.42 -0.21 0.10 15 6 -0.06 0.07 -0.09 0.02 -0.01 0.09 0.01 -0.02 0.00 16 1 0.09 0.09 -0.06 0.09 0.01 0.10 0.00 -0.03 0.01 17 6 0.06 0.07 0.09 0.02 0.00 0.09 -0.01 -0.02 0.00 18 1 -0.09 0.09 0.06 0.09 -0.01 0.10 0.00 -0.03 -0.01 19 8 -0.08 0.02 -0.18 -0.12 0.00 -0.09 0.04 -0.01 0.05 20 8 0.08 0.02 0.18 -0.12 0.00 -0.09 -0.04 -0.01 -0.05 21 6 0.00 -0.02 0.00 -0.19 0.00 -0.15 0.00 0.00 0.00 22 1 0.00 0.06 0.00 -0.17 0.00 -0.27 0.00 -0.05 0.00 23 1 0.00 -0.21 0.00 -0.30 0.00 -0.13 0.00 0.05 0.00 7 8 9 A A A Frequencies -- 244.2497 278.3640 369.6376 Red. masses -- 6.9586 4.5425 3.0233 Frc consts -- 0.2446 0.2074 0.2434 IR Inten -- 0.3916 0.2562 0.6288 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 0.10 -0.08 0.05 0.01 -0.10 -0.12 0.01 -0.04 2 1 0.00 0.09 -0.06 0.08 0.01 -0.12 -0.20 0.03 -0.08 3 6 -0.02 0.12 -0.03 0.25 0.00 0.08 0.04 0.00 0.12 4 1 -0.02 0.14 -0.05 0.46 0.00 0.23 0.15 0.02 0.18 5 6 0.02 0.12 0.04 0.25 0.00 0.08 0.04 0.00 0.12 6 1 0.02 0.14 0.05 0.46 0.00 0.23 0.15 -0.02 0.18 7 6 0.06 0.10 0.08 0.05 -0.01 -0.10 -0.12 -0.01 -0.04 8 1 0.00 0.09 0.06 0.08 -0.01 -0.12 -0.20 -0.03 -0.08 9 6 0.04 0.08 0.05 0.00 0.00 -0.11 0.13 0.00 0.04 10 1 0.05 0.00 0.07 -0.02 -0.01 -0.09 0.32 0.00 -0.15 11 1 0.05 0.10 0.06 -0.01 0.00 -0.14 0.19 -0.01 0.28 12 6 -0.04 0.08 -0.05 0.00 0.00 -0.11 0.13 0.00 0.04 13 1 -0.05 0.10 -0.06 -0.01 0.00 -0.14 0.19 0.01 0.28 14 1 -0.05 0.01 -0.07 -0.02 0.01 -0.09 0.32 0.00 -0.15 15 6 -0.12 -0.25 0.00 -0.05 -0.01 0.12 -0.12 0.00 -0.16 16 1 -0.22 -0.31 0.01 -0.08 0.03 0.07 -0.18 -0.01 -0.17 17 6 0.12 -0.25 0.00 -0.05 0.01 0.12 -0.12 0.00 -0.16 18 1 0.22 -0.31 -0.01 -0.08 -0.03 0.07 -0.18 0.01 -0.17 19 8 -0.31 -0.06 -0.10 -0.17 0.01 -0.01 0.03 -0.01 0.03 20 8 0.31 -0.06 0.10 -0.17 -0.01 -0.01 0.03 0.01 0.03 21 6 0.00 0.05 0.00 -0.13 0.00 0.05 0.00 0.00 -0.01 22 1 0.00 0.35 0.00 -0.14 0.00 0.13 0.01 0.00 -0.07 23 1 0.00 -0.08 0.00 -0.04 0.00 0.04 -0.05 0.00 0.00 10 11 12 A A A Frequencies -- 507.8368 539.4769 592.9192 Red. masses -- 4.7171 4.0278 3.8970 Frc consts -- 0.7168 0.6907 0.8072 IR Inten -- 6.5692 0.8393 0.0399 Atom AN X Y Z X Y Z X Y Z 1 6 -0.11 0.05 -0.02 0.02 -0.03 -0.14 0.10 -0.04 -0.01 2 1 0.03 0.03 -0.06 -0.01 -0.05 0.10 -0.05 -0.03 0.01 3 6 0.14 0.04 0.20 0.21 -0.14 0.00 -0.04 -0.07 -0.16 4 1 0.31 -0.03 0.37 0.45 -0.05 0.11 -0.18 0.05 -0.33 5 6 -0.14 0.04 -0.20 -0.21 -0.14 0.00 0.03 -0.06 0.17 6 1 -0.31 -0.03 -0.37 -0.45 -0.05 -0.11 0.18 0.03 0.34 7 6 0.11 0.05 0.02 -0.02 -0.03 0.14 -0.11 -0.03 0.01 8 1 -0.03 0.03 0.06 0.01 -0.05 -0.10 0.05 -0.01 -0.02 9 6 0.02 -0.11 -0.05 -0.03 0.15 0.16 -0.01 0.07 0.04 10 1 -0.10 -0.10 0.06 -0.09 0.09 0.25 0.17 0.03 -0.12 11 1 -0.02 -0.10 -0.17 -0.08 0.09 0.12 0.06 0.08 0.25 12 6 -0.02 -0.11 0.05 0.03 0.15 -0.16 0.01 0.06 -0.05 13 1 0.02 -0.10 0.17 0.08 0.09 -0.12 -0.05 0.08 -0.25 14 1 0.10 -0.10 -0.06 0.09 0.09 -0.25 -0.16 0.03 0.11 15 6 0.20 0.00 0.17 0.00 0.00 -0.03 0.20 0.00 0.19 16 1 0.13 0.03 0.12 -0.10 0.05 -0.11 0.24 -0.04 0.23 17 6 -0.20 0.00 -0.17 0.00 0.00 0.03 -0.19 0.00 -0.18 18 1 -0.13 0.03 -0.12 0.10 0.05 0.11 -0.23 -0.04 -0.22 19 8 -0.06 0.03 -0.06 0.01 0.01 0.01 -0.05 0.03 -0.06 20 8 0.06 0.03 0.06 -0.01 0.01 -0.01 0.05 0.03 0.06 21 6 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 22 1 0.00 0.05 0.00 0.00 0.02 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.03 0.00 0.00 -0.01 0.00 13 14 15 A A A Frequencies -- 595.6463 707.3983 745.7536 Red. masses -- 5.4290 1.2350 5.6455 Frc consts -- 1.1349 0.3641 1.8499 IR Inten -- 0.8929 31.6097 1.8719 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.31 0.02 0.01 -0.05 0.01 0.01 -0.01 0.01 2 1 0.04 0.30 0.09 0.39 -0.11 0.24 -0.20 0.02 -0.13 3 6 0.14 0.03 -0.17 -0.04 0.02 -0.04 0.03 -0.01 0.04 4 1 0.02 -0.21 -0.09 0.31 -0.03 0.24 -0.27 0.07 -0.22 5 6 0.14 -0.03 -0.16 -0.04 -0.02 -0.04 0.03 0.01 0.04 6 1 0.04 0.22 -0.06 0.31 0.03 0.25 -0.27 -0.07 -0.22 7 6 0.01 -0.31 0.02 0.02 0.05 0.01 0.01 0.01 0.01 8 1 0.05 -0.30 0.09 0.39 0.11 0.24 -0.20 -0.02 -0.13 9 6 -0.05 -0.05 0.20 0.00 0.00 0.02 0.02 0.01 0.00 10 1 -0.13 0.11 0.19 -0.01 0.01 0.02 -0.05 0.04 0.05 11 1 -0.09 0.04 -0.03 0.00 -0.02 0.02 -0.03 -0.04 -0.07 12 6 -0.05 0.06 0.20 0.00 0.00 0.02 0.02 -0.01 0.00 13 1 -0.09 -0.04 -0.05 0.00 0.02 0.02 -0.03 0.04 -0.07 14 1 -0.15 -0.11 0.20 -0.01 -0.01 0.02 -0.05 -0.04 0.05 15 6 -0.04 -0.02 -0.07 0.01 -0.02 -0.03 0.09 0.02 -0.09 16 1 -0.19 0.00 -0.13 -0.26 0.06 -0.19 -0.14 -0.22 0.04 17 6 -0.06 0.02 -0.08 0.01 0.02 -0.03 0.09 -0.02 -0.09 18 1 -0.21 0.00 -0.15 -0.26 -0.06 -0.19 -0.14 0.22 0.04 19 8 -0.01 0.01 0.01 -0.01 0.04 0.00 0.00 0.36 0.00 20 8 -0.01 0.00 0.01 -0.01 -0.04 0.00 0.00 -0.36 0.00 21 6 -0.01 0.00 0.01 -0.02 0.00 0.01 -0.13 0.00 0.13 22 1 -0.01 0.00 0.01 -0.02 0.00 0.01 -0.15 0.00 0.10 23 1 -0.02 0.00 0.01 -0.03 0.00 0.02 -0.26 0.00 0.18 16 17 18 A A A Frequencies -- 782.8988 811.9942 834.9259 Red. masses -- 1.2027 1.8123 1.4813 Frc consts -- 0.4343 0.7040 0.6084 IR Inten -- 8.7240 0.0035 19.2678 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.05 0.00 -0.02 -0.06 -0.01 -0.02 -0.02 -0.01 2 1 0.06 0.03 0.08 0.47 -0.14 0.25 0.17 -0.05 0.10 3 6 -0.03 0.00 -0.03 -0.10 0.04 -0.02 -0.06 0.01 0.00 4 1 0.22 -0.09 0.21 0.15 0.00 0.18 0.14 -0.04 0.18 5 6 -0.03 0.00 -0.03 0.10 0.04 0.03 0.06 0.01 0.00 6 1 0.22 0.09 0.21 -0.15 0.00 -0.17 -0.14 -0.05 -0.18 7 6 -0.02 -0.05 0.00 0.02 -0.07 0.01 0.02 -0.02 0.01 8 1 0.06 -0.03 0.08 -0.47 -0.14 -0.25 -0.17 -0.05 -0.11 9 6 -0.03 -0.03 -0.02 0.03 0.02 0.03 0.02 0.01 0.06 10 1 0.15 -0.12 -0.15 -0.06 0.03 0.11 -0.07 -0.01 0.15 11 1 0.07 0.09 0.16 0.00 0.04 -0.10 -0.03 -0.02 -0.06 12 6 -0.03 0.03 -0.02 -0.03 0.02 -0.03 -0.02 0.01 -0.06 13 1 0.07 -0.09 0.16 0.00 0.04 0.11 0.02 -0.01 0.05 14 1 0.15 0.12 -0.15 0.06 0.03 -0.11 0.07 -0.02 -0.15 15 6 -0.01 0.02 0.00 0.08 -0.07 -0.02 -0.08 0.06 0.05 16 1 0.37 -0.21 0.32 -0.17 0.05 -0.21 0.36 -0.21 0.42 17 6 -0.01 -0.02 0.00 -0.08 -0.07 0.02 0.08 0.06 -0.05 18 1 0.36 0.21 0.32 0.18 0.05 0.21 -0.36 -0.21 -0.42 19 8 0.01 0.03 0.00 0.04 0.05 -0.03 0.00 -0.01 -0.01 20 8 0.01 -0.03 0.00 -0.04 0.05 0.03 0.00 -0.01 0.01 21 6 0.00 0.00 0.01 0.00 0.03 0.00 0.00 -0.03 0.00 22 1 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 -0.08 0.00 23 1 -0.02 0.00 0.01 0.00 0.01 0.00 0.00 -0.06 0.00 19 20 21 A A A Frequencies -- 840.1712 855.6435 875.8237 Red. masses -- 2.2451 1.4316 3.2609 Frc consts -- 0.9337 0.6175 1.4738 IR Inten -- 0.0201 0.2020 20.3583 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 -0.08 -0.05 -0.02 -0.05 -0.05 0.00 -0.04 -0.01 2 1 0.01 -0.07 -0.24 -0.14 -0.03 -0.18 0.21 -0.07 0.09 3 6 0.05 -0.01 -0.05 -0.01 -0.01 -0.04 -0.04 0.02 -0.03 4 1 0.03 0.02 -0.09 0.26 0.01 0.14 0.14 0.01 0.10 5 6 0.05 0.01 -0.05 -0.02 0.01 -0.04 0.04 0.02 0.03 6 1 0.03 -0.02 -0.09 0.26 -0.01 0.15 -0.13 0.01 -0.09 7 6 0.03 0.08 -0.05 -0.02 0.05 -0.05 0.00 -0.04 0.01 8 1 0.01 0.07 -0.24 -0.14 0.03 -0.18 -0.21 -0.07 -0.09 9 6 -0.11 0.14 0.10 0.04 0.06 0.08 0.02 0.01 -0.01 10 1 0.21 -0.15 -0.06 -0.22 0.31 0.21 -0.01 0.03 0.00 11 1 0.08 0.41 0.35 -0.13 -0.17 -0.17 0.01 0.03 -0.06 12 6 -0.11 -0.14 0.10 0.05 -0.06 0.08 -0.02 0.01 0.01 13 1 0.08 -0.41 0.35 -0.13 0.18 -0.17 -0.01 0.04 0.05 14 1 0.21 0.15 -0.06 -0.22 -0.31 0.21 0.00 0.03 0.00 15 6 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.17 0.08 16 1 -0.04 0.04 -0.03 0.18 -0.12 0.16 -0.34 0.38 -0.19 17 6 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.17 -0.08 18 1 -0.04 -0.04 -0.03 0.18 0.12 0.16 0.35 0.38 0.20 19 8 0.00 0.01 0.00 0.00 0.00 0.00 -0.13 -0.11 0.11 20 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.13 -0.11 -0.11 21 6 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.12 0.00 22 1 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.16 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 22 23 24 A A A Frequencies -- 924.8058 948.6901 961.8724 Red. masses -- 2.2213 3.1667 1.2953 Frc consts -- 1.1193 1.6792 0.7061 IR Inten -- 0.6119 48.4101 1.6094 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.12 0.09 0.00 0.03 0.02 -0.05 0.01 -0.06 2 1 0.05 0.11 0.25 0.05 0.02 0.08 0.49 -0.07 0.16 3 6 -0.04 -0.04 0.04 0.02 -0.01 0.04 0.03 0.02 0.04 4 1 -0.22 -0.24 0.07 -0.22 -0.03 -0.11 -0.23 0.09 -0.19 5 6 0.04 -0.04 -0.04 -0.02 -0.01 -0.04 0.03 -0.03 0.05 6 1 0.22 -0.24 -0.07 0.22 -0.03 0.11 -0.26 -0.10 -0.21 7 6 -0.02 0.12 -0.09 0.00 0.03 -0.02 -0.05 0.00 -0.06 8 1 -0.05 0.11 -0.26 -0.06 0.02 -0.08 0.50 0.07 0.15 9 6 -0.05 -0.04 0.14 -0.01 -0.01 0.04 0.00 0.04 0.02 10 1 -0.05 -0.20 0.21 0.00 -0.05 0.05 -0.01 0.15 -0.02 11 1 -0.09 -0.24 0.28 -0.02 -0.06 0.06 -0.03 -0.02 0.00 12 6 0.05 -0.04 -0.14 0.01 -0.01 -0.04 0.00 -0.04 0.02 13 1 0.09 -0.24 -0.28 0.02 -0.06 -0.06 -0.03 0.01 -0.01 14 1 0.05 -0.20 -0.21 0.00 -0.05 -0.05 -0.02 -0.15 -0.01 15 6 0.03 0.00 -0.01 -0.04 -0.01 0.03 0.00 -0.03 -0.03 16 1 -0.01 0.10 -0.11 -0.39 -0.19 0.06 0.12 -0.20 0.15 17 6 -0.03 0.00 0.01 0.04 -0.01 -0.03 0.00 0.03 -0.03 18 1 0.01 0.10 0.11 0.39 -0.20 -0.06 0.13 0.20 0.15 19 8 -0.01 -0.04 0.01 -0.03 0.16 0.03 -0.01 -0.02 0.01 20 8 0.01 -0.04 -0.01 0.03 0.16 -0.03 -0.01 0.02 0.01 21 6 0.00 0.06 0.00 0.00 -0.32 0.00 -0.01 0.00 0.01 22 1 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 23 1 0.00 0.05 0.00 0.00 -0.19 0.00 -0.02 0.00 0.01 25 26 27 A A A Frequencies -- 962.4937 1007.0597 1012.0988 Red. masses -- 1.7846 5.4119 1.7601 Frc consts -- 0.9741 3.2338 1.0623 IR Inten -- 12.9491 19.6454 7.3904 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.10 0.02 0.02 -0.03 0.04 0.05 -0.09 0.04 2 1 -0.16 0.12 0.00 -0.24 0.00 -0.03 -0.48 0.00 -0.33 3 6 -0.03 -0.04 -0.12 0.00 0.00 -0.03 -0.08 0.06 0.05 4 1 0.53 -0.14 0.34 0.09 -0.01 0.04 0.15 -0.02 0.27 5 6 0.03 -0.04 0.12 0.00 0.01 -0.03 0.08 0.06 -0.05 6 1 -0.50 -0.13 -0.32 0.08 0.01 0.03 -0.15 -0.03 -0.27 7 6 -0.01 0.10 -0.01 0.02 0.03 0.04 -0.05 -0.09 -0.04 8 1 0.11 0.11 -0.01 -0.23 -0.01 -0.02 0.49 0.00 0.33 9 6 -0.02 -0.04 -0.06 -0.01 -0.02 0.00 -0.02 0.03 0.08 10 1 0.06 -0.08 -0.12 0.04 -0.12 0.00 -0.01 0.05 0.06 11 1 0.02 -0.06 0.09 0.02 0.04 0.00 -0.04 0.01 0.05 12 6 0.02 -0.04 0.06 -0.01 0.02 -0.01 0.02 0.03 -0.08 13 1 -0.02 -0.06 -0.09 0.02 -0.04 0.00 0.04 0.01 -0.05 14 1 -0.06 -0.07 0.12 0.04 0.12 0.00 0.01 0.05 -0.06 15 6 -0.01 -0.01 -0.01 0.21 -0.06 -0.18 0.02 -0.02 0.01 16 1 -0.08 -0.03 -0.02 0.15 -0.24 -0.08 -0.08 0.01 -0.05 17 6 0.01 -0.02 0.01 0.21 0.06 -0.19 -0.02 -0.02 -0.01 18 1 0.07 -0.05 0.00 0.15 0.24 -0.08 0.08 0.01 0.05 19 8 0.00 0.03 0.00 -0.05 -0.17 0.02 -0.01 0.01 0.00 20 8 0.00 0.02 0.00 -0.05 0.16 0.02 0.01 0.01 0.00 21 6 0.00 -0.03 0.00 -0.27 0.00 0.27 0.00 -0.02 0.00 22 1 0.00 -0.06 0.00 -0.27 0.00 0.26 0.00 -0.02 0.00 23 1 0.00 -0.03 0.00 -0.26 0.00 0.27 0.00 0.00 0.00 28 29 30 A A A Frequencies -- 1022.2397 1053.6260 1071.1433 Red. masses -- 2.7682 1.9942 2.0401 Frc consts -- 1.7043 1.3044 1.3791 IR Inten -- 5.1864 5.9498 96.9991 Atom AN X Y Z X Y Z X Y Z 1 6 0.05 0.14 0.02 0.07 0.04 0.05 -0.03 0.00 -0.04 2 1 0.15 0.17 -0.33 -0.13 0.07 -0.06 0.14 -0.03 0.08 3 6 -0.11 0.11 0.07 0.03 -0.02 -0.06 0.01 -0.03 0.00 4 1 0.03 0.07 0.21 0.00 -0.01 -0.08 -0.05 -0.08 -0.01 5 6 -0.11 -0.11 0.07 -0.03 -0.02 0.06 0.01 0.03 0.00 6 1 0.03 -0.07 0.21 0.00 -0.01 0.08 -0.05 0.08 -0.01 7 6 0.05 -0.13 0.02 -0.07 0.04 -0.05 -0.03 0.00 -0.04 8 1 0.15 -0.16 -0.33 0.13 0.07 0.06 0.14 0.03 0.08 9 6 0.03 0.15 -0.06 0.17 -0.01 0.01 -0.01 -0.01 0.02 10 1 0.03 0.17 -0.06 -0.25 0.05 0.38 0.00 0.12 -0.05 11 1 0.05 0.32 -0.23 -0.02 -0.13 -0.44 -0.03 -0.10 0.06 12 6 0.03 -0.15 -0.06 -0.17 -0.01 -0.01 -0.01 0.01 0.02 13 1 0.05 -0.32 -0.23 0.02 -0.13 0.44 -0.03 0.10 0.06 14 1 0.04 -0.17 -0.06 0.25 0.05 -0.38 0.00 -0.12 -0.05 15 6 0.01 0.02 0.00 0.03 -0.01 -0.03 -0.04 0.11 0.03 16 1 -0.01 0.13 -0.08 0.06 0.00 -0.03 0.29 0.50 -0.16 17 6 0.01 -0.02 0.00 -0.03 -0.01 0.03 -0.04 -0.11 0.03 18 1 -0.01 -0.13 -0.09 -0.06 0.00 0.03 0.29 -0.50 -0.17 19 8 0.01 0.00 -0.01 -0.02 0.01 0.01 0.07 0.00 -0.06 20 8 0.01 0.00 -0.01 0.02 0.01 -0.01 0.08 0.00 -0.06 21 6 -0.03 0.00 0.03 0.00 -0.02 0.00 -0.12 0.00 0.13 22 1 -0.03 0.00 0.03 0.00 0.02 0.00 -0.12 0.00 0.11 23 1 -0.01 0.00 0.02 0.00 0.05 0.00 -0.09 0.00 0.11 31 32 33 A A A Frequencies -- 1095.3096 1111.4540 1158.1738 Red. masses -- 3.1547 1.7231 1.4830 Frc consts -- 2.2298 1.2541 1.1720 IR Inten -- 0.6404 0.6259 6.9878 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.01 0.02 0.04 0.01 -0.06 0.00 0.00 0.00 2 1 -0.04 0.03 -0.01 0.10 0.03 -0.31 0.02 0.00 -0.02 3 6 0.02 -0.01 -0.01 -0.04 0.10 0.03 0.00 0.00 0.00 4 1 -0.01 -0.01 -0.02 0.13 0.47 -0.10 -0.01 -0.02 0.01 5 6 -0.02 -0.01 0.01 -0.04 -0.10 0.03 0.00 0.00 0.00 6 1 0.01 -0.01 0.02 0.13 -0.47 -0.10 -0.01 0.02 0.01 7 6 -0.02 0.01 -0.02 0.04 0.00 -0.06 0.00 0.00 0.00 8 1 0.04 0.03 0.02 0.10 -0.03 -0.31 0.02 0.00 -0.02 9 6 0.04 0.00 0.01 -0.02 -0.11 0.05 0.00 0.00 0.00 10 1 -0.05 0.01 0.08 -0.03 -0.24 0.11 0.01 0.03 -0.02 11 1 -0.01 -0.05 -0.09 -0.01 -0.16 0.12 -0.01 -0.03 0.02 12 6 -0.04 0.00 -0.01 -0.02 0.11 0.05 0.00 0.00 0.00 13 1 0.01 -0.04 0.09 -0.01 0.16 0.12 -0.01 0.03 0.02 14 1 0.05 0.01 -0.08 -0.03 0.24 0.12 0.01 -0.03 -0.02 15 6 -0.13 0.00 0.21 -0.01 0.01 0.00 0.02 0.01 -0.01 16 1 -0.58 0.12 -0.04 0.03 0.03 0.00 0.02 0.01 -0.01 17 6 0.13 0.00 -0.21 -0.01 -0.01 0.00 0.02 -0.01 -0.01 18 1 0.59 0.11 0.04 0.03 -0.03 0.00 0.02 -0.01 -0.01 19 8 0.10 -0.04 -0.10 0.01 0.00 0.00 0.02 0.01 0.05 20 8 -0.10 -0.04 0.10 0.01 0.00 0.00 0.02 -0.01 0.05 21 6 0.00 0.12 0.00 -0.01 0.00 0.01 -0.12 0.00 -0.14 22 1 0.00 -0.16 0.00 -0.01 0.00 0.01 -0.27 0.00 0.65 23 1 0.00 -0.19 0.00 -0.01 0.00 0.01 0.61 0.00 -0.29 34 35 36 A A A Frequencies -- 1184.5312 1184.7900 1206.2031 Red. masses -- 1.1421 1.1711 1.8406 Frc consts -- 0.9441 0.9685 1.5778 IR Inten -- 45.1199 1.8735 208.3236 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.01 0.00 -0.05 -0.04 0.05 -0.01 -0.01 0.00 2 1 0.12 0.01 -0.27 -0.33 -0.05 0.52 0.10 0.00 -0.18 3 6 -0.01 -0.01 0.01 0.02 0.04 -0.02 0.00 -0.01 0.00 4 1 -0.14 -0.30 0.12 0.19 0.43 -0.17 -0.10 -0.23 0.09 5 6 -0.02 0.02 0.02 -0.02 0.03 0.01 0.00 0.01 0.00 6 1 -0.20 0.44 0.18 -0.13 0.27 0.11 -0.10 0.23 0.09 7 6 0.03 -0.01 -0.02 0.04 -0.03 -0.05 -0.01 0.01 0.00 8 1 0.24 -0.03 -0.45 0.25 -0.04 -0.37 0.10 0.00 -0.18 9 6 -0.01 -0.02 0.00 0.00 -0.01 0.01 0.02 0.00 -0.01 10 1 0.01 0.01 -0.04 -0.01 -0.11 0.05 -0.07 -0.27 0.20 11 1 -0.06 -0.29 0.19 0.00 0.00 0.00 0.02 0.01 -0.02 12 6 -0.01 0.01 0.00 0.01 -0.02 -0.01 0.02 0.00 -0.01 13 1 -0.06 0.27 0.18 0.02 -0.12 -0.08 0.02 -0.01 -0.02 14 1 0.02 -0.04 -0.06 0.00 -0.09 -0.03 -0.07 0.27 0.20 15 6 0.03 0.01 -0.01 -0.01 0.00 0.00 -0.06 -0.05 0.05 16 1 0.00 0.03 -0.04 0.00 -0.01 0.01 -0.31 -0.31 0.18 17 6 0.03 -0.01 -0.01 0.00 0.00 0.00 -0.06 0.05 0.05 18 1 0.00 -0.03 -0.05 0.00 0.00 0.00 -0.31 0.31 0.18 19 8 -0.03 0.00 0.02 0.01 0.00 0.00 0.10 -0.02 -0.08 20 8 -0.03 0.00 0.02 0.01 0.00 0.00 0.10 0.02 -0.08 21 6 0.04 0.00 -0.01 -0.01 0.00 0.00 -0.09 0.00 0.06 22 1 0.04 0.00 -0.06 -0.01 0.02 0.01 -0.09 0.00 0.09 23 1 -0.05 0.00 0.01 0.01 -0.02 0.00 0.03 0.00 0.03 37 38 39 A A A Frequencies -- 1208.0802 1236.3032 1298.8909 Red. masses -- 1.0527 1.1805 1.0918 Frc consts -- 0.9052 1.0631 1.0853 IR Inten -- 0.0165 22.2905 3.1951 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.04 0.01 0.02 -0.02 0.00 -0.01 2 1 0.01 0.00 -0.01 -0.10 0.02 0.03 -0.01 -0.01 0.04 3 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 4 1 0.00 -0.01 0.00 0.05 0.14 -0.05 0.02 0.02 0.00 5 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 6 1 0.00 -0.01 0.00 0.05 -0.14 -0.05 -0.02 0.02 0.00 7 6 0.00 0.00 0.00 0.04 -0.01 0.02 0.02 0.00 0.01 8 1 -0.01 0.00 0.01 -0.10 -0.02 0.03 0.01 -0.01 -0.04 9 6 0.00 0.00 0.00 -0.04 0.00 0.00 0.05 -0.01 0.02 10 1 0.00 0.01 0.00 0.10 0.41 -0.33 0.04 0.51 -0.21 11 1 0.00 -0.01 0.00 -0.06 -0.22 0.21 -0.07 -0.40 0.14 12 6 0.00 0.00 0.00 -0.04 0.00 0.00 -0.05 -0.01 -0.02 13 1 0.00 -0.01 0.00 -0.06 0.22 0.21 0.07 -0.40 -0.14 14 1 0.00 0.01 0.00 0.11 -0.41 -0.33 -0.04 0.51 0.21 15 6 0.00 0.00 0.01 -0.01 -0.01 0.03 0.01 0.01 -0.01 16 1 -0.02 -0.03 0.02 -0.21 -0.15 0.07 -0.03 -0.05 0.02 17 6 0.00 0.00 -0.01 -0.01 0.01 0.03 -0.01 0.01 0.01 18 1 0.02 -0.03 -0.02 -0.21 0.15 0.07 0.03 -0.05 -0.02 19 8 0.02 0.01 0.02 0.03 -0.01 -0.03 0.00 0.00 0.00 20 8 -0.02 0.01 -0.02 0.03 0.01 -0.03 0.00 0.00 0.00 21 6 0.00 -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 0.00 22 1 0.00 0.71 0.00 -0.02 0.00 0.02 0.00 0.00 0.00 23 1 0.00 -0.70 0.00 -0.02 0.00 0.02 0.00 0.03 0.00 40 41 42 A A A Frequencies -- 1307.2766 1318.7094 1371.3541 Red. masses -- 1.2655 1.9468 1.3132 Frc consts -- 1.2742 1.9947 1.4551 IR Inten -- 0.0002 6.0262 0.8593 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.05 0.02 0.10 0.02 0.01 -0.03 2 1 0.00 0.00 0.00 0.02 0.02 0.02 -0.17 0.01 0.28 3 6 0.00 0.00 0.00 0.05 0.05 -0.05 0.02 0.04 -0.02 4 1 0.01 0.01 0.00 0.09 0.14 -0.09 -0.11 -0.24 0.09 5 6 0.00 0.00 0.00 0.05 -0.05 -0.05 -0.02 0.04 0.02 6 1 -0.01 0.01 0.00 0.09 -0.14 -0.09 0.11 -0.24 -0.09 7 6 0.00 0.00 0.00 -0.05 -0.02 0.10 -0.02 0.01 0.03 8 1 0.00 0.00 0.00 0.02 -0.02 0.02 0.17 0.01 -0.28 9 6 0.00 0.00 0.01 0.01 0.12 -0.08 -0.02 -0.08 0.06 10 1 0.01 0.05 -0.03 -0.07 -0.23 0.18 0.08 0.24 -0.18 11 1 -0.01 -0.04 0.01 -0.09 -0.42 0.34 0.06 0.36 -0.27 12 6 0.00 0.00 -0.01 0.01 -0.12 -0.08 0.02 -0.08 -0.06 13 1 0.01 -0.04 -0.01 -0.09 0.42 0.34 -0.06 0.36 0.27 14 1 -0.01 0.05 0.03 -0.07 0.22 0.17 -0.08 0.24 0.19 15 6 -0.06 -0.06 0.05 -0.02 -0.03 -0.01 0.00 0.00 0.00 16 1 0.38 0.46 -0.23 0.16 0.08 -0.04 0.00 0.00 0.00 17 6 0.06 -0.06 -0.05 -0.02 0.03 -0.01 0.00 0.00 0.00 18 1 -0.38 0.46 0.23 0.16 -0.08 -0.04 0.00 0.00 0.00 19 8 -0.01 0.03 0.03 0.00 0.01 0.00 0.00 0.00 0.00 20 8 0.01 0.03 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 21 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 -0.25 0.00 -0.01 0.00 0.03 0.00 0.03 0.00 23 1 0.00 -0.28 0.00 -0.01 0.00 0.00 0.00 0.02 0.00 43 44 45 A A A Frequencies -- 1403.4403 1453.8246 1464.5448 Red. masses -- 1.5892 2.5660 1.3329 Frc consts -- 1.8442 3.1954 1.6845 IR Inten -- 2.7750 81.0588 4.2247 Atom AN X Y Z X Y Z X Y Z 1 6 -0.04 0.04 0.09 0.02 0.05 -0.08 0.00 0.00 0.00 2 1 0.21 0.05 -0.30 -0.04 0.03 0.27 -0.01 0.00 0.00 3 6 -0.01 -0.06 0.00 -0.03 -0.06 0.03 0.00 0.00 0.00 4 1 0.20 0.39 -0.16 0.05 0.07 0.00 0.00 -0.01 0.01 5 6 0.01 -0.06 0.00 -0.04 0.06 0.03 0.00 0.00 0.00 6 1 -0.20 0.39 0.16 0.05 -0.07 0.00 0.00 -0.01 -0.01 7 6 0.04 0.04 -0.09 0.02 -0.05 -0.08 0.00 0.00 0.00 8 1 -0.21 0.05 0.30 -0.04 -0.03 0.27 0.01 0.00 -0.01 9 6 -0.03 -0.05 0.09 0.01 0.07 0.00 0.00 0.01 0.00 10 1 0.07 0.16 -0.11 -0.02 -0.24 0.17 0.02 -0.02 -0.01 11 1 0.01 0.24 -0.16 -0.07 -0.20 0.11 -0.02 -0.05 0.00 12 6 0.03 -0.05 -0.09 0.01 -0.07 0.00 0.00 0.01 0.00 13 1 -0.01 0.24 0.16 -0.07 0.20 0.11 0.02 -0.05 0.00 14 1 -0.07 0.16 0.11 -0.02 0.24 0.17 -0.02 -0.02 0.01 15 6 0.00 0.00 0.00 0.06 0.21 -0.01 -0.04 -0.03 0.03 16 1 -0.01 0.00 -0.01 -0.38 -0.15 0.17 0.10 0.14 -0.05 17 6 0.00 0.00 0.00 0.07 -0.21 -0.01 0.04 -0.03 -0.03 18 1 0.01 0.00 0.01 -0.39 0.15 0.17 -0.10 0.13 0.05 19 8 0.00 0.00 0.00 -0.02 -0.03 0.00 0.04 0.02 -0.03 20 8 0.00 0.00 0.00 -0.02 0.03 0.00 -0.04 0.02 0.03 21 6 0.00 -0.01 0.00 0.02 0.00 -0.02 0.00 -0.12 0.00 22 1 0.00 0.04 0.00 0.02 0.01 0.01 0.00 0.64 0.00 23 1 0.00 0.04 0.00 -0.02 0.01 -0.01 0.00 0.70 0.00 46 47 48 A A A Frequencies -- 1482.8096 1521.1376 1540.2773 Red. masses -- 1.9115 1.1015 1.2955 Frc consts -- 2.4762 1.5017 1.8108 IR Inten -- 17.0396 1.3317 6.2130 Atom AN X Y Z X Y Z X Y Z 1 6 0.09 0.00 -0.12 0.01 0.01 -0.01 -0.02 -0.02 0.02 2 1 -0.30 0.00 0.41 -0.02 0.01 0.02 0.00 -0.02 -0.03 3 6 -0.02 0.11 0.03 -0.02 -0.01 0.02 0.02 0.06 -0.02 4 1 -0.20 -0.23 0.18 0.01 0.06 -0.01 -0.03 -0.05 0.02 5 6 -0.02 -0.11 0.03 0.02 -0.01 -0.02 0.02 -0.06 -0.02 6 1 -0.20 0.23 0.18 -0.02 0.06 0.01 -0.03 0.05 0.02 7 6 0.09 0.00 -0.12 -0.01 0.01 0.01 -0.02 0.02 0.02 8 1 -0.30 0.00 0.41 0.02 0.01 -0.02 0.00 0.02 -0.03 9 6 -0.01 0.03 0.01 0.01 -0.04 -0.04 0.01 -0.04 -0.05 10 1 -0.06 -0.05 0.10 -0.36 0.25 0.21 -0.35 0.26 0.18 11 1 -0.01 -0.09 0.17 0.23 0.26 0.37 0.23 0.26 0.34 12 6 -0.01 -0.03 0.01 -0.01 -0.04 0.04 0.01 0.04 -0.05 13 1 -0.01 0.09 0.17 -0.23 0.26 -0.37 0.23 -0.26 0.34 14 1 -0.06 0.05 0.10 0.36 0.25 -0.21 -0.35 -0.26 0.18 15 6 -0.01 -0.07 0.00 0.00 0.00 0.00 0.01 0.06 -0.01 16 1 0.11 0.04 -0.06 0.01 0.01 0.00 -0.06 -0.03 0.05 17 6 -0.01 0.07 0.00 0.00 0.00 0.00 0.01 -0.06 -0.01 18 1 0.11 -0.04 -0.06 -0.01 0.01 0.00 -0.06 0.03 0.05 19 8 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 20 8 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 21 6 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 22 1 0.00 0.00 -0.01 0.00 0.03 0.00 0.01 0.00 -0.08 23 1 0.01 0.00 0.00 0.00 0.02 0.00 0.09 0.00 -0.02 49 50 51 A A A Frequencies -- 1559.5831 1583.0550 1601.7074 Red. masses -- 2.9916 1.0961 3.6476 Frc consts -- 4.2872 1.6184 5.5134 IR Inten -- 8.0824 7.1361 1.9659 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 -0.08 0.06 0.00 0.00 0.00 -0.15 -0.08 0.17 2 1 -0.06 -0.09 0.02 0.00 0.00 0.00 0.14 -0.10 -0.25 3 6 0.07 0.22 -0.05 0.00 0.00 0.00 0.16 0.12 -0.16 4 1 -0.15 -0.21 0.10 0.00 0.00 0.00 -0.09 -0.45 0.04 5 6 0.07 -0.22 -0.05 0.00 0.00 0.00 -0.15 0.12 0.16 6 1 -0.15 0.21 0.10 0.00 0.00 0.00 0.09 -0.44 -0.04 7 6 -0.05 0.08 0.06 0.00 0.00 0.00 0.14 -0.08 -0.17 8 1 -0.06 0.09 0.02 0.00 0.00 0.00 -0.14 -0.10 0.25 9 6 -0.01 -0.01 0.03 0.00 -0.01 0.00 -0.02 0.00 0.03 10 1 0.28 -0.09 -0.22 -0.04 0.03 0.03 -0.11 0.06 0.09 11 1 -0.14 -0.07 -0.37 0.03 0.04 0.03 0.04 0.01 0.23 12 6 -0.01 0.01 0.03 0.00 0.01 0.00 0.02 0.00 -0.03 13 1 -0.14 0.07 -0.37 0.03 -0.04 0.03 -0.04 0.01 -0.23 14 1 0.28 0.08 -0.22 -0.04 -0.03 0.03 0.11 0.06 -0.09 15 6 0.00 0.13 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 16 1 -0.09 -0.06 0.14 0.00 0.00 0.01 0.02 0.00 0.01 17 6 0.00 -0.13 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 18 1 -0.09 0.06 0.14 0.00 0.00 0.01 -0.02 0.00 -0.01 19 8 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 20 8 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 21 6 0.01 0.00 -0.01 0.06 0.00 -0.06 0.00 0.00 0.00 22 1 0.00 0.00 0.04 -0.09 0.00 0.68 0.00 0.00 0.00 23 1 -0.03 0.00 0.00 -0.70 0.00 0.12 0.00 0.00 0.00 52 53 54 A A A Frequencies -- 3017.4008 3020.9673 3036.3265 Red. masses -- 1.0737 1.0553 1.0695 Frc consts -- 5.7595 5.6742 5.8095 IR Inten -- 20.5779 106.8854 72.4666 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 9 6 0.03 0.02 0.04 0.00 0.00 0.00 -0.02 -0.02 -0.04 10 1 -0.46 -0.22 -0.47 0.02 0.01 0.02 0.45 0.21 0.46 11 1 0.12 -0.04 -0.02 -0.04 0.01 0.01 -0.19 0.07 0.04 12 6 -0.03 0.02 -0.04 0.00 0.00 0.00 -0.02 0.02 -0.04 13 1 -0.12 -0.04 0.02 -0.04 -0.01 0.01 -0.19 -0.07 0.04 14 1 0.46 -0.22 0.47 0.02 -0.01 0.01 0.45 -0.21 0.45 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 17 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.00 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.52 0.00 0.12 -0.01 0.00 0.00 23 1 0.00 0.00 0.00 -0.19 0.00 -0.82 0.01 0.00 0.05 55 56 57 A A A Frequencies -- 3061.1643 3069.0875 3087.3662 Red. masses -- 1.1153 1.0900 1.0936 Frc consts -- 6.1579 6.0494 6.1417 IR Inten -- 86.3564 7.6605 35.9335 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 1 0.00 0.01 0.00 0.00 0.02 0.00 0.00 -0.03 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 0.03 0.00 9 6 0.00 0.00 0.00 -0.06 0.02 0.01 -0.06 0.02 0.00 10 1 0.00 0.00 0.00 0.06 0.04 0.08 0.12 0.07 0.14 11 1 -0.06 0.02 0.02 0.62 -0.24 -0.18 0.61 -0.24 -0.18 12 6 0.01 0.00 0.00 0.06 0.02 -0.01 -0.06 -0.02 0.00 13 1 -0.06 -0.02 0.02 -0.63 -0.25 0.18 0.60 0.24 -0.18 14 1 0.00 0.00 0.00 -0.07 0.04 -0.09 0.12 -0.07 0.14 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.08 0.00 0.06 0.00 0.00 0.00 0.01 0.00 0.01 22 1 -0.83 0.00 -0.15 0.00 0.00 0.00 -0.05 0.00 -0.01 23 1 -0.09 0.00 -0.50 0.00 0.00 0.00 -0.02 0.00 -0.09 58 59 60 A A A Frequencies -- 3153.4876 3159.2492 3171.8825 Red. masses -- 1.0839 1.0873 1.0922 Frc consts -- 6.3508 6.3937 6.4743 IR Inten -- 4.9187 5.7988 49.5604 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.04 0.00 -0.01 -0.05 0.00 -0.01 -0.04 0.00 2 1 0.05 0.50 0.05 0.07 0.63 0.06 0.05 0.49 0.04 3 6 -0.02 0.02 0.03 -0.01 0.01 0.02 0.02 -0.02 -0.03 4 1 0.25 -0.25 -0.35 0.15 -0.15 -0.22 -0.25 0.25 0.36 5 6 0.02 0.02 -0.03 -0.01 -0.01 0.02 -0.02 -0.02 0.03 6 1 -0.25 -0.25 0.35 0.15 0.15 -0.21 0.25 0.25 -0.36 7 6 0.01 -0.04 0.00 -0.01 0.05 0.00 0.01 -0.04 0.00 8 1 -0.05 0.50 -0.04 0.07 -0.63 0.06 -0.05 0.48 -0.04 9 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 1 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 11 1 -0.02 0.01 0.01 0.03 -0.01 -0.01 -0.01 0.00 0.01 12 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.02 0.01 -0.01 0.03 0.01 -0.01 0.01 0.00 -0.01 14 1 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 62 63 A A A Frequencies -- 3185.8061 3290.8928 3307.6497 Red. masses -- 1.0972 1.0899 1.1012 Frc consts -- 6.5611 6.9544 7.0985 IR Inten -- 30.7690 0.0871 1.5882 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 1 0.03 0.30 0.03 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 4 1 -0.32 0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 6 1 -0.32 -0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 7 6 -0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 0.00 0.00 9 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 1 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 11 1 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 12 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 14 1 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.02 -0.04 -0.04 0.02 -0.04 -0.05 16 1 0.00 0.00 0.00 -0.18 0.42 0.52 -0.18 0.44 0.54 17 6 0.00 0.00 0.00 -0.02 -0.04 0.05 0.02 0.04 -0.04 18 1 0.00 0.00 0.00 0.18 0.44 -0.54 -0.17 -0.42 0.51 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 1 and mass 1.00783 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 1 and mass 1.00783 Atom 5 has atomic number 6 and mass 12.00000 Atom 6 has atomic number 1 and mass 1.00783 Atom 7 has atomic number 6 and mass 12.00000 Atom 8 has atomic number 1 and mass 1.00783 Atom 9 has atomic number 6 and mass 12.00000 Atom 10 has atomic number 1 and mass 1.00783 Atom 11 has atomic number 1 and mass 1.00783 Atom 12 has atomic number 6 and mass 12.00000 Atom 13 has atomic number 1 and mass 1.00783 Atom 14 has atomic number 1 and mass 1.00783 Atom 15 has atomic number 6 and mass 12.00000 Atom 16 has atomic number 1 and mass 1.00783 Atom 17 has atomic number 6 and mass 12.00000 Atom 18 has atomic number 1 and mass 1.00783 Atom 19 has atomic number 8 and mass 15.99491 Atom 20 has atomic number 8 and mass 15.99491 Atom 21 has atomic number 6 and mass 12.00000 Atom 22 has atomic number 1 and mass 1.00783 Atom 23 has atomic number 1 and mass 1.00783 Molecular mass: 152.08373 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 944.855691782.100011902.43960 X 0.99987 0.00000 -0.01598 Y -0.00001 1.00000 -0.00024 Z 0.01598 0.00024 0.99987 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.09167 0.04860 0.04553 Rotational constants (GHZ): 1.91007 1.01270 0.94865 1 imaginary frequencies ignored. Zero-point vibrational energy 509184.9 (Joules/Mol) 121.69811 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 141.69 176.96 194.41 248.88 287.74 (Kelvin) 351.42 400.50 531.83 730.66 776.19 853.08 857.00 1017.79 1072.97 1126.42 1168.28 1201.27 1208.82 1231.08 1260.11 1330.59 1364.95 1383.92 1384.81 1448.93 1456.18 1470.77 1515.93 1541.13 1575.90 1599.13 1666.35 1704.27 1704.65 1735.46 1738.16 1778.76 1868.81 1880.88 1897.33 1973.07 2019.24 2091.73 2107.15 2133.43 2188.58 2216.11 2243.89 2277.66 2304.50 4341.36 4346.49 4368.59 4404.33 4415.73 4442.03 4537.16 4545.45 4563.63 4583.66 4734.85 4758.96 Zero-point correction= 0.193938 (Hartree/Particle) Thermal correction to Energy= 0.203259 Thermal correction to Enthalpy= 0.204204 Thermal correction to Gibbs Free Energy= 0.159501 Sum of electronic and zero-point Energies= -500.294731 Sum of electronic and thermal Energies= -500.285409 Sum of electronic and thermal Enthalpies= -500.284465 Sum of electronic and thermal Free Energies= -500.329168 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 127.547 36.600 94.085 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 40.968 Rotational 0.889 2.981 29.550 Vibrational 125.770 30.638 23.567 Vibration 1 0.604 1.950 3.484 Vibration 2 0.610 1.930 3.053 Vibration 3 0.613 1.918 2.872 Vibration 4 0.626 1.876 2.403 Vibration 5 0.638 1.840 2.133 Vibration 6 0.660 1.772 1.772 Vibration 7 0.679 1.714 1.544 Vibration 8 0.742 1.535 1.081 Vibration 9 0.863 1.233 0.639 Vibration 10 0.895 1.163 0.566 Vibration 11 0.950 1.047 0.462 Vibration 12 0.953 1.041 0.457 Q Log10(Q) Ln(Q) Total Bot 0.431458D-73 -73.365062 -168.929298 Total V=0 0.692096D+16 15.840166 36.473331 Vib (Bot) 0.913499D-87 -87.039292 -200.415376 Vib (Bot) 1 0.208459D+01 0.319021 0.734572 Vib (Bot) 2 0.166041D+01 0.220214 0.507062 Vib (Bot) 3 0.150679D+01 0.178052 0.409979 Vib (Bot) 4 0.116386D+01 0.065901 0.151742 Vib (Bot) 5 0.997043D+00 -0.001286 -0.002961 Vib (Bot) 6 0.801222D+00 -0.096247 -0.221617 Vib (Bot) 7 0.691280D+00 -0.160346 -0.369211 Vib (Bot) 8 0.492656D+00 -0.307456 -0.707945 Vib (Bot) 9 0.321376D+00 -0.492987 -1.135144 Vib (Bot) 10 0.293828D+00 -0.531907 -1.224761 Vib (Bot) 11 0.253671D+00 -0.595730 -1.371719 Vib (Bot) 12 0.251807D+00 -0.598932 -1.379092 Vib (V=0) 0.146533D+03 2.165936 4.987253 Vib (V=0) 1 0.264371D+01 0.422215 0.972185 Vib (V=0) 2 0.223406D+01 0.349094 0.803819 Vib (V=0) 3 0.208758D+01 0.319643 0.736005 Vib (V=0) 4 0.176672D+01 0.247167 0.569123 Vib (V=0) 5 0.161539D+01 0.208277 0.479576 Vib (V=0) 6 0.144443D+01 0.159698 0.367718 Vib (V=0) 7 0.135315D+01 0.131346 0.302436 Vib (V=0) 8 0.120193D+01 0.079880 0.183931 Vib (V=0) 9 0.109438D+01 0.039166 0.090184 Vib (V=0) 10 0.107994D+01 0.033401 0.076909 Vib (V=0) 11 0.106067D+01 0.025580 0.058899 Vib (V=0) 12 0.105983D+01 0.025235 0.058106 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.737190D+08 7.867579 18.115771 Rotational 0.640694D+06 5.806651 13.370307 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000041070 0.000009254 -0.000009474 2 1 -0.000011284 0.000002025 0.000005487 3 6 -0.000031865 -0.000006498 -0.000006780 4 1 -0.000000959 -0.000001317 0.000001125 5 6 0.000029161 -0.000002769 0.000007089 6 1 0.000001661 -0.000000742 -0.000001755 7 6 -0.000033289 0.000010204 0.000010752 8 1 0.000009259 0.000001840 -0.000007135 9 6 0.000000333 -0.000003178 -0.000007861 10 1 0.000000357 -0.000000372 0.000001920 11 1 0.000007571 -0.000001993 -0.000002028 12 6 -0.000001322 -0.000002403 0.000015931 13 1 -0.000003140 0.000000322 -0.000009026 14 1 0.000001566 -0.000001074 -0.000000551 15 6 -0.000058003 0.000009512 0.000018735 16 1 0.000013101 -0.000000005 -0.000012263 17 6 0.000051368 -0.000001617 -0.000017761 18 1 -0.000013614 -0.000000142 0.000010952 19 8 0.000013376 -0.000003481 -0.000003260 20 8 -0.000009794 -0.000000200 0.000004255 21 6 -0.000001115 -0.000003428 -0.000000958 22 1 -0.000000090 -0.000004046 -0.000000401 23 1 -0.000004349 0.000000108 0.000003008 ------------------------------------------------------------------- Cartesian Forces: Max 0.000058003 RMS 0.000014130 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000019631 RMS 0.000003813 Search for a saddle point. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.03190 0.00086 0.00111 0.00176 0.00430 Eigenvalues --- 0.00508 0.01274 0.01368 0.01441 0.01594 Eigenvalues --- 0.01687 0.01858 0.02067 0.02137 0.02234 Eigenvalues --- 0.02574 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04651 0.04939 Eigenvalues --- 0.05186 0.05246 0.05743 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11253 Eigenvalues --- 0.11861 0.12444 0.12618 0.15482 0.16307 Eigenvalues --- 0.18372 0.18746 0.23373 0.24268 0.26918 Eigenvalues --- 0.27588 0.29673 0.30157 0.30787 0.32285 Eigenvalues --- 0.32447 0.32888 0.34622 0.35303 0.35333 Eigenvalues --- 0.35475 0.35567 0.36577 0.38193 0.38371 Eigenvalues --- 0.41331 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R11 R4 D79 D77 D86 1 -0.56597 -0.56477 0.16962 -0.16957 -0.14505 D82 D73 D75 R20 D30 1 0.14488 0.11842 -0.11835 0.11436 0.11061 Angle between quadratic step and forces= 67.83 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00036615 RMS(Int)= 0.00000019 Iteration 2 RMS(Cart)= 0.00000017 RMS(Int)= 0.00000012 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05804 0.00000 0.00000 0.00001 0.00001 2.05804 R2 2.62016 0.00002 0.00000 0.00013 0.00013 2.62029 R3 2.86306 0.00001 0.00000 0.00011 0.00011 2.86316 R4 4.37810 -0.00001 0.00000 -0.00215 -0.00215 4.37596 R5 2.05660 0.00000 0.00000 -0.00001 -0.00001 2.05659 R6 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R7 2.05657 0.00000 0.00000 0.00001 0.00001 2.05659 R8 2.62044 -0.00002 0.00000 -0.00014 -0.00014 2.62030 R9 2.05805 0.00000 0.00000 -0.00001 -0.00001 2.05804 R10 2.86326 -0.00001 0.00000 -0.00010 -0.00010 2.86316 R11 4.37359 0.00000 0.00000 0.00224 0.00224 4.37583 R12 2.07658 0.00000 0.00000 0.00002 0.00002 2.07660 R13 2.07026 0.00000 0.00000 0.00002 0.00002 2.07028 R14 2.94453 0.00000 0.00000 0.00001 0.00001 2.94454 R15 4.44297 -0.00001 0.00000 -0.00182 -0.00182 4.44115 R16 2.07031 0.00000 0.00000 -0.00003 -0.00003 2.07028 R17 2.07662 0.00000 0.00000 -0.00002 -0.00002 2.07660 R18 4.44276 0.00000 0.00000 -0.00159 -0.00159 4.44116 R19 2.03569 0.00001 0.00000 0.00005 0.00005 2.03574 R20 2.62524 0.00000 0.00000 0.00001 0.00001 2.62525 R21 2.63195 0.00001 0.00000 0.00025 0.00025 2.63220 R22 2.03580 0.00000 0.00000 -0.00006 -0.00006 2.03575 R23 2.63244 -0.00001 0.00000 -0.00023 -0.00023 2.63221 R24 2.69188 0.00000 0.00000 -0.00009 -0.00009 2.69180 R25 2.69172 0.00000 0.00000 0.00007 0.00007 2.69179 R26 2.07493 0.00000 0.00000 -0.00002 -0.00002 2.07491 R27 2.07616 0.00000 0.00000 0.00002 0.00002 2.07618 A1 2.08091 0.00000 0.00000 -0.00009 -0.00009 2.08082 A2 2.01654 0.00000 0.00000 -0.00010 -0.00010 2.01644 A3 1.73922 0.00000 0.00000 0.00003 0.00003 1.73924 A4 2.09900 0.00000 0.00000 -0.00022 -0.00022 2.09878 A5 1.72689 0.00000 0.00000 0.00044 0.00044 1.72733 A6 1.63531 0.00000 0.00000 0.00045 0.00045 1.63577 A7 2.09931 0.00001 0.00000 0.00007 0.00007 2.09938 A8 2.06758 -0.00001 0.00000 -0.00016 -0.00016 2.06741 A9 2.09051 0.00000 0.00000 0.00002 0.00002 2.09053 A10 2.09056 0.00000 0.00000 -0.00003 -0.00003 2.09053 A11 2.06724 0.00001 0.00000 0.00017 0.00017 2.06741 A12 2.09946 -0.00001 0.00000 -0.00008 -0.00008 2.09938 A13 2.08074 0.00000 0.00000 0.00007 0.00007 2.08081 A14 2.09851 0.00000 0.00000 0.00026 0.00026 2.09877 A15 1.72779 0.00000 0.00000 -0.00045 -0.00045 1.72735 A16 2.01632 0.00000 0.00000 0.00011 0.00011 2.01644 A17 1.73926 -0.00001 0.00000 -0.00003 -0.00003 1.73923 A18 1.63631 0.00000 0.00000 -0.00051 -0.00051 1.63580 A19 1.87935 0.00000 0.00000 0.00011 0.00011 1.87947 A20 1.91105 0.00000 0.00000 -0.00006 -0.00006 1.91100 A21 1.96755 0.00000 0.00000 -0.00003 -0.00003 1.96752 A22 1.84432 0.00000 0.00000 -0.00004 -0.00004 1.84427 A23 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90728 A24 1.94889 0.00000 0.00000 0.00003 0.00003 1.94893 A25 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A26 1.96749 0.00000 0.00000 0.00003 0.00003 1.96752 A27 1.91104 0.00000 0.00000 -0.00005 -0.00005 1.91099 A28 1.87953 0.00000 0.00000 -0.00007 -0.00007 1.87947 A29 1.94892 0.00000 0.00000 0.00000 0.00000 1.94893 A30 1.90727 0.00000 0.00000 0.00002 0.00002 1.90728 A31 1.84420 0.00000 0.00000 0.00007 0.00007 1.84427 A32 2.15599 0.00000 0.00000 -0.00031 -0.00031 2.15568 A33 1.54338 0.00000 0.00000 0.00074 0.00074 1.54413 A34 1.86379 0.00000 0.00000 0.00049 0.00049 1.86428 A35 1.86542 0.00000 0.00000 0.00016 0.00016 1.86558 A36 2.21890 0.00000 0.00000 -0.00036 -0.00036 2.21854 A37 1.99478 0.00000 0.00000 -0.00025 -0.00025 1.99452 A38 1.90253 -0.00001 0.00000 -0.00025 -0.00025 1.90228 A39 1.86480 0.00000 0.00000 -0.00050 -0.00050 1.86431 A40 1.54488 0.00000 0.00000 -0.00073 -0.00073 1.54415 A41 1.86566 0.00000 0.00000 -0.00010 -0.00010 1.86557 A42 2.21814 0.00000 0.00000 0.00038 0.00038 2.21853 A43 1.90205 0.00001 0.00000 0.00023 0.00023 1.90228 A44 1.99429 0.00000 0.00000 0.00023 0.00023 1.99452 A45 1.86543 0.00000 0.00000 0.00001 0.00001 1.86544 A46 1.86552 0.00000 0.00000 -0.00008 -0.00008 1.86544 A47 1.87434 0.00000 0.00000 -0.00002 -0.00002 1.87432 A48 1.91609 0.00000 0.00000 0.00006 0.00006 1.91615 A49 1.91781 0.00000 0.00000 0.00008 0.00008 1.91788 A50 1.91621 0.00000 0.00000 -0.00006 -0.00006 1.91615 A51 1.91796 0.00000 0.00000 -0.00007 -0.00007 1.91789 A52 1.92090 0.00000 0.00000 0.00002 0.00002 1.92092 A53 1.05506 0.00000 0.00000 0.00047 0.00047 1.05553 A54 1.82370 0.00000 0.00000 0.00029 0.00029 1.82399 A55 1.82346 0.00000 0.00000 0.00052 0.00052 1.82398 D1 0.09681 0.00000 0.00000 0.00071 0.00071 0.09752 D2 2.99591 0.00000 0.00000 0.00038 0.00038 2.99629 D3 2.78383 0.00000 0.00000 -0.00032 -0.00032 2.78351 D4 -0.60026 0.00000 0.00000 -0.00065 -0.00065 -0.60091 D5 -1.76037 0.00000 0.00000 0.00043 0.00043 -1.75994 D6 1.13872 0.00000 0.00000 0.00010 0.00010 1.13882 D7 -3.01194 0.00000 0.00000 -0.00007 -0.00007 -3.01201 D8 -0.83110 0.00000 0.00000 -0.00008 -0.00008 -0.83118 D9 1.16606 0.00000 0.00000 -0.00007 -0.00007 1.16599 D10 0.56826 0.00000 0.00000 0.00092 0.00092 0.56918 D11 2.74910 0.00000 0.00000 0.00091 0.00091 2.75001 D12 -1.53693 0.00000 0.00000 0.00093 0.00093 -1.53600 D13 -1.22236 0.00000 0.00000 0.00017 0.00017 -1.22219 D14 0.95848 0.00000 0.00000 0.00016 0.00016 0.95863 D15 2.95563 0.00000 0.00000 0.00018 0.00018 2.95581 D16 -0.87087 0.00000 0.00000 -0.00015 -0.00015 -0.87102 D17 -3.11362 0.00000 0.00000 -0.00013 -0.00013 -3.11375 D18 1.13531 0.00000 0.00000 -0.00016 -0.00016 1.13515 D19 1.25633 0.00000 0.00000 -0.00011 -0.00011 1.25622 D20 -0.98642 0.00000 0.00000 -0.00009 -0.00009 -0.98651 D21 -3.02068 0.00000 0.00000 -0.00012 -0.00012 -3.02079 D22 -2.90755 0.00000 0.00000 -0.00015 -0.00015 -2.90770 D23 1.13288 0.00000 0.00000 -0.00013 -0.00013 1.13275 D24 -0.90137 0.00000 0.00000 -0.00016 -0.00016 -0.90153 D25 -2.90035 0.00000 0.00000 0.00033 0.00033 -2.90003 D26 -0.00061 0.00001 0.00000 0.00060 0.00060 -0.00001 D27 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D28 2.89974 0.00000 0.00000 0.00028 0.00028 2.90002 D29 -2.99669 0.00000 0.00000 0.00038 0.00038 -2.99630 D30 0.60167 0.00000 0.00000 -0.00072 -0.00072 0.60094 D31 -1.13893 0.00000 0.00000 0.00009 0.00009 -1.13884 D32 -0.09822 0.00000 0.00000 0.00067 0.00067 -0.09755 D33 -2.78305 0.00000 0.00000 -0.00044 -0.00044 -2.78349 D34 1.75954 0.00000 0.00000 0.00038 0.00038 1.75991 D35 1.53491 0.00000 0.00000 0.00103 0.00103 1.53594 D36 -2.75107 0.00000 0.00000 0.00101 0.00101 -2.75006 D37 -0.57023 0.00000 0.00000 0.00099 0.00099 -0.56924 D38 -1.16598 0.00000 0.00000 -0.00003 -0.00003 -1.16601 D39 0.83122 0.00000 0.00000 -0.00005 -0.00005 0.83117 D40 3.01206 0.00000 0.00000 -0.00007 -0.00007 3.01200 D41 -2.95607 0.00000 0.00000 0.00024 0.00024 -2.95582 D42 -0.95887 0.00000 0.00000 0.00023 0.00023 -0.95865 D43 1.22198 0.00000 0.00000 0.00020 0.00020 1.22218 D44 0.98662 0.00000 0.00000 -0.00009 -0.00009 0.98653 D45 -1.25608 0.00000 0.00000 -0.00013 -0.00013 -1.25621 D46 3.02093 0.00000 0.00000 -0.00012 -0.00012 3.02081 D47 3.11392 0.00000 0.00000 -0.00016 -0.00016 3.11377 D48 0.87123 0.00000 0.00000 -0.00020 -0.00020 0.87103 D49 -1.13495 0.00000 0.00000 -0.00018 -0.00018 -1.13513 D50 -1.13257 0.00000 0.00000 -0.00016 -0.00016 -1.13273 D51 2.90792 0.00000 0.00000 -0.00020 -0.00020 2.90772 D52 0.90174 0.00000 0.00000 -0.00019 -0.00019 0.90155 D53 1.77017 0.00000 0.00000 0.00105 0.00105 1.77121 D54 -2.49339 0.00000 0.00000 0.00113 0.00113 -2.49226 D55 -0.42145 0.00000 0.00000 0.00110 0.00110 -0.42034 D56 0.00106 0.00000 0.00000 -0.00103 -0.00103 0.00003 D57 -2.15897 0.00000 0.00000 -0.00099 -0.00099 -2.15996 D58 2.09030 0.00000 0.00000 -0.00108 -0.00108 2.08922 D59 -2.08801 0.00000 0.00000 -0.00114 -0.00114 -2.08915 D60 2.03515 0.00000 0.00000 -0.00110 -0.00110 2.03405 D61 0.00123 0.00000 0.00000 -0.00119 -0.00119 0.00004 D62 2.16112 0.00000 0.00000 -0.00110 -0.00110 2.16002 D63 0.00109 0.00000 0.00000 -0.00106 -0.00106 0.00003 D64 -2.03282 0.00000 0.00000 -0.00115 -0.00115 -2.03398 D65 0.45507 0.00000 0.00000 -0.00062 -0.00062 0.45444 D66 -1.26660 0.00000 0.00000 -0.00115 -0.00115 -1.26775 D67 -1.77175 0.00000 0.00000 0.00049 0.00049 -1.77127 D68 0.41980 0.00000 0.00000 0.00049 0.00049 0.42029 D69 2.49165 0.00000 0.00000 0.00055 0.00055 2.49221 D70 -0.45434 0.00000 0.00000 -0.00008 -0.00008 -0.45442 D71 1.26773 0.00000 0.00000 0.00006 0.00006 1.26779 D72 -0.00005 0.00000 0.00000 0.00004 0.00004 -0.00001 D73 1.76698 -0.00001 0.00000 -0.00118 -0.00118 1.76580 D74 -2.01006 0.00000 0.00000 0.00030 0.00030 -2.00976 D75 -1.76458 -0.00001 0.00000 -0.00119 -0.00119 -1.76577 D76 0.00244 -0.00001 0.00000 -0.00241 -0.00241 0.00003 D77 2.50859 0.00000 0.00000 -0.00093 -0.00093 2.50766 D78 2.00939 0.00000 0.00000 0.00036 0.00036 2.00975 D79 -2.50677 0.00000 0.00000 -0.00086 -0.00086 -2.50763 D80 -0.00062 0.00001 0.00000 0.00061 0.00061 -0.00001 D81 1.91035 0.00000 0.00000 -0.00035 -0.00035 1.91000 D82 -2.69630 0.00000 0.00000 0.00049 0.00049 -2.69581 D83 -0.09804 -0.00001 0.00000 -0.00088 -0.00088 -0.09892 D84 -1.91042 0.00000 0.00000 0.00041 0.00041 -1.91001 D85 0.09904 -0.00001 0.00000 -0.00010 -0.00010 0.09893 D86 2.69456 0.00000 0.00000 0.00123 0.00123 2.69578 D87 0.15758 0.00000 0.00000 0.00081 0.00081 0.15839 D88 2.24016 0.00000 0.00000 0.00076 0.00076 2.24092 D89 -1.92807 0.00000 0.00000 0.00087 0.00087 -1.92720 D90 -0.15796 0.00000 0.00000 -0.00043 -0.00043 -0.15839 D91 -2.24046 0.00000 0.00000 -0.00046 -0.00046 -2.24092 D92 1.92759 0.00000 0.00000 -0.00040 -0.00040 1.92720 D93 1.57619 0.00000 0.00000 0.00027 0.00027 1.57646 D94 0.48266 0.00000 0.00000 -0.00035 -0.00035 0.48232 D95 -0.48261 0.00000 0.00000 0.00030 0.00030 -0.48232 D96 -1.57614 0.00000 0.00000 -0.00032 -0.00032 -1.57646 D97 -2.59493 0.00000 0.00000 0.00041 0.00041 -2.59452 D98 2.59473 0.00000 0.00000 -0.00021 -0.00021 2.59452 Item Value Threshold Converged? Maximum Force 0.000020 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.001605 0.001800 YES RMS Displacement 0.000366 0.001200 YES Predicted change in Energy=-7.653999D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0891 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3865 -DE/DX = 0.0 ! ! R3 R(1,12) 1.5151 -DE/DX = 0.0 ! ! R4 R(1,15) 2.3168 -DE/DX = 0.0 ! ! R5 R(3,4) 1.0883 -DE/DX = 0.0 ! ! R6 R(3,5) 1.4078 -DE/DX = 0.0 ! ! R7 R(5,6) 1.0883 -DE/DX = 0.0 ! ! R8 R(5,7) 1.3867 -DE/DX = 0.0 ! ! R9 R(7,8) 1.0891 -DE/DX = 0.0 ! ! R10 R(7,9) 1.5152 -DE/DX = 0.0 ! ! R11 R(7,17) 2.3144 -DE/DX = 0.0 ! ! R12 R(9,10) 1.0989 -DE/DX = 0.0 ! ! R13 R(9,11) 1.0955 -DE/DX = 0.0 ! ! R14 R(9,12) 1.5582 -DE/DX = 0.0 ! ! R15 R(11,23) 2.3511 -DE/DX = 0.0 ! ! R16 R(12,13) 1.0956 -DE/DX = 0.0 ! ! R17 R(12,14) 1.0989 -DE/DX = 0.0 ! ! R18 R(13,23) 2.351 -DE/DX = 0.0 ! ! R19 R(15,16) 1.0772 -DE/DX = 0.0 ! ! R20 R(15,17) 1.3892 -DE/DX = 0.0 ! ! R21 R(15,19) 1.3928 -DE/DX = 0.0 ! ! R22 R(17,18) 1.0773 -DE/DX = 0.0 ! ! R23 R(17,20) 1.393 -DE/DX = 0.0 ! ! R24 R(19,21) 1.4245 -DE/DX = 0.0 ! ! R25 R(20,21) 1.4244 -DE/DX = 0.0 ! ! R26 R(21,22) 1.098 -DE/DX = 0.0 ! ! R27 R(21,23) 1.0987 -DE/DX = 0.0 ! ! A1 A(2,1,3) 119.2271 -DE/DX = 0.0 ! ! A2 A(2,1,12) 115.5393 -DE/DX = 0.0 ! ! A3 A(2,1,15) 99.6499 -DE/DX = 0.0 ! ! A4 A(3,1,12) 120.2637 -DE/DX = 0.0 ! ! A5 A(3,1,15) 98.9433 -DE/DX = 0.0 ! ! A6 A(12,1,15) 93.6965 -DE/DX = 0.0 ! ! A7 A(1,3,4) 120.2817 -DE/DX = 0.0 ! ! A8 A(1,3,5) 118.4633 -DE/DX = 0.0 ! ! A9 A(4,3,5) 119.7776 -DE/DX = 0.0 ! ! A10 A(3,5,6) 119.7805 -DE/DX = 0.0 ! ! A11 A(3,5,7) 118.4442 -DE/DX = 0.0 ! ! A12 A(6,5,7) 120.2901 -DE/DX = 0.0 ! ! A13 A(5,7,8) 119.2178 -DE/DX = 0.0 ! ! A14 A(5,7,9) 120.236 -DE/DX = 0.0 ! ! A15 A(5,7,17) 98.9952 -DE/DX = 0.0 ! ! A16 A(8,7,9) 115.5268 -DE/DX = 0.0 ! ! A17 A(8,7,17) 99.6522 -DE/DX = 0.0 ! ! A18 A(9,7,17) 93.7539 -DE/DX = 0.0 ! ! A19 A(7,9,10) 107.679 -DE/DX = 0.0 ! ! A20 A(7,9,11) 109.4954 -DE/DX = 0.0 ! ! A21 A(7,9,12) 112.7322 -DE/DX = 0.0 ! ! A22 A(10,9,11) 105.6715 -DE/DX = 0.0 ! ! A23 A(10,9,12) 109.2799 -DE/DX = 0.0 ! ! A24 A(11,9,12) 111.6633 -DE/DX = 0.0 ! ! A25 A(9,11,23) 123.5113 -DE/DX = 0.0 ! ! A26 A(1,12,9) 112.7287 -DE/DX = 0.0 ! ! A27 A(1,12,13) 109.4948 -DE/DX = 0.0 ! ! A28 A(1,12,14) 107.6894 -DE/DX = 0.0 ! ! A29 A(9,12,13) 111.6651 -DE/DX = 0.0 ! ! A30 A(9,12,14) 109.2783 -DE/DX = 0.0 ! ! A31 A(13,12,14) 105.6651 -DE/DX = 0.0 ! ! A32 A(12,13,23) 123.5289 -DE/DX = 0.0 ! ! A33 A(1,15,16) 88.4294 -DE/DX = 0.0 ! ! A34 A(1,15,17) 106.7875 -DE/DX = 0.0 ! ! A35 A(1,15,19) 106.8806 -DE/DX = 0.0 ! ! A36 A(16,15,17) 127.1338 -DE/DX = 0.0 ! ! A37 A(16,15,19) 114.2922 -DE/DX = 0.0 ! ! A38 A(17,15,19) 109.0072 -DE/DX = 0.0 ! ! A39 A(7,17,15) 106.8453 -DE/DX = 0.0 ! ! A40 A(7,17,18) 88.5152 -DE/DX = 0.0 ! ! A41 A(7,17,20) 106.8947 -DE/DX = 0.0 ! ! A42 A(15,17,18) 127.0902 -DE/DX = 0.0 ! ! A43 A(15,17,20) 108.9793 -DE/DX = 0.0 ! ! A44 A(18,17,20) 114.2644 -DE/DX = 0.0 ! ! A45 A(15,19,21) 106.8814 -DE/DX = 0.0 ! ! A46 A(17,20,21) 106.8865 -DE/DX = 0.0 ! ! A47 A(19,21,20) 107.3918 -DE/DX = 0.0 ! ! A48 A(19,21,22) 109.7839 -DE/DX = 0.0 ! ! A49 A(19,21,23) 109.8824 -DE/DX = 0.0 ! ! A50 A(20,21,22) 109.7908 -DE/DX = 0.0 ! ! A51 A(20,21,23) 109.8911 -DE/DX = 0.0 ! ! A52 A(22,21,23) 110.0593 -DE/DX = 0.0 ! ! A53 A(11,23,13) 60.4506 -DE/DX = 0.0 ! ! A54 A(11,23,21) 104.4904 -DE/DX = 0.0 ! ! A55 A(13,23,21) 104.4768 -DE/DX = 0.0 ! ! D1 D(2,1,3,4) 5.547 -DE/DX = 0.0 ! ! D2 D(2,1,3,5) 171.6528 -DE/DX = 0.0 ! ! D3 D(12,1,3,4) 159.5019 -DE/DX = 0.0 ! ! D4 D(12,1,3,5) -34.3923 -DE/DX = 0.0 ! ! D5 D(15,1,3,4) -100.862 -DE/DX = 0.0 ! ! D6 D(15,1,3,5) 65.2438 -DE/DX = 0.0 ! ! D7 D(2,1,12,9) -172.5712 -DE/DX = 0.0 ! ! D8 D(2,1,12,13) -47.6183 -DE/DX = 0.0 ! ! D9 D(2,1,12,14) 66.8103 -DE/DX = 0.0 ! ! D10 D(3,1,12,9) 32.559 -DE/DX = 0.0 ! ! D11 D(3,1,12,13) 157.5118 -DE/DX = 0.0 ! ! D12 D(3,1,12,14) -88.0596 -DE/DX = 0.0 ! ! D13 D(15,1,12,9) -70.0361 -DE/DX = 0.0 ! ! D14 D(15,1,12,13) 54.9167 -DE/DX = 0.0 ! ! D15 D(15,1,12,14) 169.3453 -DE/DX = 0.0 ! ! D16 D(2,1,15,16) -49.8971 -DE/DX = 0.0 ! ! D17 D(2,1,15,17) -178.3971 -DE/DX = 0.0 ! ! D18 D(2,1,15,19) 65.0484 -DE/DX = 0.0 ! ! D19 D(3,1,15,16) 71.9824 -DE/DX = 0.0 ! ! D20 D(3,1,15,17) -56.5177 -DE/DX = 0.0 ! ! D21 D(3,1,15,19) -173.0721 -DE/DX = 0.0 ! ! D22 D(12,1,15,16) -166.5904 -DE/DX = 0.0 ! ! D23 D(12,1,15,17) 64.9095 -DE/DX = 0.0 ! ! D24 D(12,1,15,19) -51.6449 -DE/DX = 0.0 ! ! D25 D(1,3,5,6) -166.178 -DE/DX = 0.0 ! ! D26 D(1,3,5,7) -0.035 -DE/DX = 0.0 ! ! D27 D(4,3,5,6) -0.0003 -DE/DX = 0.0 ! ! D28 D(4,3,5,7) 166.1427 -DE/DX = 0.0 ! ! D29 D(3,5,7,8) -171.6976 -DE/DX = 0.0 ! ! D30 D(3,5,7,9) 34.4729 -DE/DX = 0.0 ! ! D31 D(3,5,7,17) -65.2561 -DE/DX = 0.0 ! ! D32 D(6,5,7,8) -5.6275 -DE/DX = 0.0 ! ! D33 D(6,5,7,9) -159.457 -DE/DX = 0.0 ! ! D34 D(6,5,7,17) 100.814 -DE/DX = 0.0 ! ! D35 D(5,7,9,10) 87.9441 -DE/DX = 0.0 ! ! D36 D(5,7,9,11) -157.625 -DE/DX = 0.0 ! ! D37 D(5,7,9,12) -32.6716 -DE/DX = 0.0 ! ! D38 D(8,7,9,10) -66.8058 -DE/DX = 0.0 ! ! D39 D(8,7,9,11) 47.6252 -DE/DX = 0.0 ! ! D40 D(8,7,9,12) 172.5786 -DE/DX = 0.0 ! ! D41 D(17,7,9,10) -169.3702 -DE/DX = 0.0 ! ! D42 D(17,7,9,11) -54.9393 -DE/DX = 0.0 ! ! D43 D(17,7,9,12) 70.0141 -DE/DX = 0.0 ! ! D44 D(5,7,17,15) 56.5289 -DE/DX = 0.0 ! ! D45 D(5,7,17,18) -71.968 -DE/DX = 0.0 ! ! D46 D(5,7,17,20) 173.0864 -DE/DX = 0.0 ! ! D47 D(8,7,17,15) 178.4147 -DE/DX = 0.0 ! ! D48 D(8,7,17,18) 49.9178 -DE/DX = 0.0 ! ! D49 D(8,7,17,20) -65.0278 -DE/DX = 0.0 ! ! D50 D(9,7,17,15) -64.8917 -DE/DX = 0.0 ! ! D51 D(9,7,17,18) 166.6114 -DE/DX = 0.0 ! ! D52 D(9,7,17,20) 51.6659 -DE/DX = 0.0 ! ! D53 D(7,9,11,23) 101.4231 -DE/DX = 0.0 ! ! D54 D(10,9,11,23) -142.8607 -DE/DX = 0.0 ! ! D55 D(12,9,11,23) -24.1472 -DE/DX = 0.0 ! ! D56 D(7,9,12,1) 0.0606 -DE/DX = 0.0 ! ! D57 D(7,9,12,13) -123.7 -DE/DX = 0.0 ! ! D58 D(7,9,12,14) 119.7652 -DE/DX = 0.0 ! ! D59 D(10,9,12,1) -119.6341 -DE/DX = 0.0 ! ! D60 D(10,9,12,13) 116.6053 -DE/DX = 0.0 ! ! D61 D(10,9,12,14) 0.0704 -DE/DX = 0.0 ! ! D62 D(11,9,12,1) 123.8233 -DE/DX = 0.0 ! ! D63 D(11,9,12,13) 0.0627 -DE/DX = 0.0 ! ! D64 D(11,9,12,14) -116.4722 -DE/DX = 0.0 ! ! D65 D(9,11,23,13) 26.0733 -DE/DX = 0.0 ! ! D66 D(9,11,23,21) -72.5707 -DE/DX = 0.0 ! ! D67 D(1,12,13,23) -101.5141 -DE/DX = 0.0 ! ! D68 D(9,12,13,23) 24.0526 -DE/DX = 0.0 ! ! D69 D(14,12,13,23) 142.7613 -DE/DX = 0.0 ! ! D70 D(12,13,23,11) -26.0315 -DE/DX = 0.0 ! ! D71 D(12,13,23,21) 72.6356 -DE/DX = 0.0 ! ! D72 D(1,15,17,7) -0.0027 -DE/DX = 0.0 ! ! D73 D(1,15,17,18) 101.2402 -DE/DX = 0.0 ! ! D74 D(1,15,17,20) -115.1681 -DE/DX = 0.0 ! ! D75 D(16,15,17,7) -101.1031 -DE/DX = 0.0 ! ! D76 D(16,15,17,18) 0.1398 -DE/DX = 0.0 ! ! D77 D(16,15,17,20) 143.7315 -DE/DX = 0.0 ! ! D78 D(19,15,17,7) 115.1298 -DE/DX = 0.0 ! ! D79 D(19,15,17,18) -143.6273 -DE/DX = 0.0 ! ! D80 D(19,15,17,20) -0.0356 -DE/DX = 0.0 ! ! D81 D(1,15,19,21) 109.4549 -DE/DX = 0.0 ! ! D82 D(16,15,19,21) -154.4868 -DE/DX = 0.0 ! ! D83 D(17,15,19,21) -5.6175 -DE/DX = 0.0 ! ! D84 D(7,17,20,21) -109.4591 -DE/DX = 0.0 ! ! D85 D(15,17,20,21) 5.6743 -DE/DX = 0.0 ! ! D86 D(18,17,20,21) 154.3867 -DE/DX = 0.0 ! ! D87 D(15,19,21,20) 9.0287 -DE/DX = 0.0 ! ! D88 D(15,19,21,22) 128.3517 -DE/DX = 0.0 ! ! D89 D(15,19,21,23) -110.4703 -DE/DX = 0.0 ! ! D90 D(17,20,21,19) -9.0505 -DE/DX = 0.0 ! ! D91 D(17,20,21,22) -128.369 -DE/DX = 0.0 ! ! D92 D(17,20,21,23) 110.443 -DE/DX = 0.0 ! ! D93 D(19,21,23,11) 90.3091 -DE/DX = 0.0 ! ! D94 D(19,21,23,13) 27.6546 -DE/DX = 0.0 ! ! D95 D(20,21,23,11) -27.6517 -DE/DX = 0.0 ! ! D96 D(20,21,23,13) -90.3062 -DE/DX = 0.0 ! ! D97 D(22,21,23,11) -148.6784 -DE/DX = 0.0 ! ! D98 D(22,21,23,13) 148.6671 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-282|Freq|RB3LYP|6-31G(d)|C9H12O2|FHT14|08-F eb-2018|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31 G(d) Freq||diene+dioxole_opt631Gd_opt+freqPM6+631Gd||0,1|C,-1.17682130 93,1.3647276459,0.1166264785|H,-1.0745850532,2.4448695837,0.0222571219 |C,-2.118578577,0.7036730578,-0.6570454904|H,-2.6842671076,1.244017331 6,-1.4136396614|C,-2.1182345651,-0.7040823983,-0.6570298403|H,-2.68363 94242,-1.2447603629,-1.4135776069|C,-1.1754113778,-1.3643214162,0.1163 02881|H,-1.0730597696,-2.4445137209,0.0225362045|C,-0.7294216332,-0.77 87163407,1.4406543858|H,-1.4193483608,-1.1414947783,2.2152039337|H,0.2 533460918,-1.1831037526,1.7068029341|C,-0.7294378189,0.7794611321,1.44 05352211|H,0.2536235707,1.1839528755,1.7055500605|H,-1.4184381933,1.14 23219832,2.2158980983|C,0.7401079002,0.6943008735,-0.9984686713|H,0.45 95386391,1.3444113326,-1.8103093374|C,0.7394958926,-0.6949155217,-0.99 7921521|H,0.46015996,-1.3448014688,-1.8104445244|O,1.823214866,1.14772 46576,-0.2494084207|O,1.8230500665,-1.1481473744,-0.2489129756|C,2.431 745278,-0.000181357,0.3346732683|H,3.5084043109,-0.0002414142,0.119215 1729|H,2.2647476142,0.0001484326,1.4205652884||Version=EM64W-G09RevD.0 1|State=1-A|HF=-500.4886689|RMSD=2.650e-009|RMSF=1.413e-005|ZeroPoint= 0.1939383|Thermal=0.2032594|Dipole=0.1113134,0.0004334,-0.1024395|Dipo leDeriv=0.096616,-0.0808889,-0.0369733,0.0108339,0.1297295,-0.0110962, -0.0891025,0.1463699,0.1430549,0.0527532,0.026489,-0.013078,0.0004984, -0.1442908,0.0197883,-0.000587,-0.0041374,0.0102322,-0.2328811,0.07467 97,0.1493552,-0.0499758,-0.0177636,-0.0025438,0.1073133,-0.2352793,-0. 0451678,0.0302888,0.0308491,-0.077659,0.058314,0.0071678,0.0579188,-0. 139383,0.0861792,-0.0318029,-0.235267,-0.074785,0.1497217,0.0494679,-0 .0188389,0.0027876,0.1071119,0.2358591,-0.0452465,0.0304944,-0.0306706 ,-0.0776269,-0.0582001,0.0071263,-0.0578971,-0.1393534,-0.0863153,-0.0 318072,0.0984315,0.0807947,-0.037433,-0.0095283,0.1300006,0.0105484,-0 .0897763,-0.1468545,0.1432799,0.052907,-0.0265702,-0.0130034,-0.000348 2,-0.1443579,-0.0197362,-0.000608,0.0043787,0.0101976,0.1513309,-0.068 2497,0.0080989,0.0082501,-0.0195589,-0.021949,-0.035078,-0.0253601,0.0 750795,-0.0268703,-0.0517879,0.0929007,-0.02496,0.0283184,0.0149845,0. 0969321,0.1045166,-0.1270988,-0.0826583,0.0862249,-0.1036497,0.0424782 ,-0.0026771,0.0045226,-0.032714,0.0103164,0.0214262,0.1511885,0.068185 6,0.008012,-0.0082772,-0.0195633,0.0219518,-0.0356199,0.0253515,0.0751 918,-0.0826961,-0.0862773,-0.1035608,-0.0425819,-0.0026721,-0.0043407, -0.0324982,-0.0102266,0.0215073,-0.0265823,0.0517319,0.0928004,0.02485 5,0.0283481,-0.0150528,0.0970629,-0.1046957,-0.127485,0.7950931,0.2517 402,0.0907027,0.5449282,0.1431143,-0.0120296,0.4961115,-0.0831406,0.10 01361,-0.0512849,-0.0227493,-0.000565,-0.0115156,0.0721429,0.0315237,0 .0057023,0.0677016,0.003806,0.7927367,-0.2515437,0.090634,-0.5451007,0 .1425006,0.0119852,0.495689,0.0835825,0.1009198,-0.0512997,0.0229506,- 0.0004283,0.0119773,0.0721232,-0.0316563,0.0054438,-0.0680218,0.003426 4,-1.1261625,-0.1983777,-0.2060147,-0.085146,-0.5139738,0.1380148,-0.6 11677,-0.0217934,-0.3964046,-1.1236721,0.1981923,-0.2066294,0.0846211, -0.5137735,-0.137912,-0.6094968,0.0216659,-0.3969985,1.0968789,0.00004 41,0.1213967,-0.0008746,0.578458,0.0003407,0.4572987,-0.0000213,0.6901 877,-0.296842,0.000002,0.0073527,0.0001414,0.0560239,-0.0000266,0.0330 743,-0.0000077,0.0055788,-0.0125027,0.0000163,0.0656464,0.0001428,0.00 24162,-0.0001262,-0.0858457,-0.0000677,-0.2020131|Polar=121.5840834,0. 0032668,96.576769,5.1980168,0.0117836,85.6978819|PG=C01 [X(C9H12O2)]|N Imag=1||0.27398015,0.14206523,0.66555454,0.22276534,0.00621522,0.44686 752,-0.04309363,-0.02425872,-0.00931174,0.04070919,-0.03232904,-0.3279 4472,0.02732613,0.03353729,0.34654024,-0.00904589,0.02592256,-0.050476 78,0.01039599,-0.02920136,0.05159163,-0.17972224,-0.10698620,-0.143486 84,0.00181935,0.00149273,0.00013394,0.41275420,-0.04702063,-0.17045447 ,-0.06448176,-0.02627367,-0.01109482,-0.01746551,0.01168218,0.65402502 ,-0.12185054,-0.07603182,-0.18353140,0.00255063,0.00302965,0.00361744, 0.28961671,-0.04460740,0.45300841,-0.00332999,0.01240111,-0.01707755,- 0.00203569,0.00054724,0.00254483,-0.12021124,0.06388085,-0.11015133,0. 11984975,-0.00761976,0.01070441,-0.01377889,0.00094209,0.00088209,-0.0 0022036,0.06683856,-0.12567249,0.09763452,-0.07427654,0.13121849,-0.00 960301,0.00961337,-0.00979249,0.00317809,-0.00105809,-0.00130769,-0.11 252255,0.10124468,-0.17885236,0.12424583,-0.10464381,0.18559672,0.0173 5813,-0.01997321,0.00389821,-0.00050934,-0.00305253,-0.00451917,-0.076 91484,-0.01741686,-0.03528446,0.00258821,0.01860194,0.00049496,0.41282 173,-0.07136244,-0.03651418,-0.01854431,0.00062648,0.00054489,-0.00237 263,0.01756107,-0.31047597,0.03235097,0.00200927,-0.01142635,-0.004472 31,-0.01172260,0.65389437,0.02114514,-0.01748383,0.00963298,-0.0077742 6,-0.00084126,0.00245660,-0.03526257,-0.03235971,-0.10136954,0.0015703 3,0.02359781,0.00195504,0.28949557,0.04496004,0.45278599,0.00585709,0. 00081998,-0.00290020,0.00033510,0.00000999,-0.00021007,0.00259575,-0.0 0199156,0.00158980,-0.00188149,-0.00009997,0.00204535,-0.12013086,-0.0 6390076,-0.11011617,0.11977918,0.00193487,-0.00565933,0.00145850,-0.00 161670,-0.00064132,-0.00074304,-0.01858904,-0.01143828,-0.02359931,0.0 0009826,0.00127225,0.00046470,-0.06684618,-0.12575516,-0.09770883,0.07 428268,0.13131044,-0.00297724,-0.00021910,0.00319248,-0.00017997,0.000 17855,0.00021874,0.00049702,0.00447204,0.00195309,0.00204754,-0.000464 45,-0.00057982,-0.11251227,-0.10132896,-0.17884543,0.12420645,0.104734 49,0.18557780,-0.05356938,-0.00664972,-0.00448708,0.00028622,0.0000110 2,-0.00119675,0.01733057,0.07144329,0.02117844,0.00586989,-0.00193181, -0.00298274,-0.17975891,0.04685204,-0.12171162,-0.00333002,0.00760568, -0.00958219,0.27381375,0.00661441,-0.00526228,0.00458298,0.00153997,0. 00047043,-0.00140068,0.02002256,-0.03644435,0.01748766,-0.00081177,-0. 00566287,0.00021776,0.10687918,-0.17023477,0.07580656,-0.01241075,0.01 070103,-0.00961412,-0.14211553,0.66535451,-0.00444561,-0.00458715,-0.0 0507319,-0.00071122,0.00032687,-0.00077784,0.00388717,0.01851531,0.009 61178,-0.00290267,-0.00145656,0.00319259,-0.14342355,0.06427104,-0.183 33863,-0.01709709,0.01376127,-0.00977004,0.22260001,-0.00610402,0.4466 4690,0.00029473,-0.00154275,-0.00070571,-0.00024974,0.00019101,0.00032 336,-0.00052429,-0.00063506,-0.00778017,0.00033193,0.00161890,-0.00017 823,0.00180198,0.02631254,0.00253817,-0.00203252,-0.00094524,0.0031761 1,-0.04308756,0.02427683,-0.00930364,0.04074823,-0.00001014,0.00047038 ,-0.00032422,-0.00019093,0.00000358,0.00014046,0.00304955,0.00053971,0 .00083629,-0.00000917,-0.00064012,-0.00017886,-0.00149844,-0.01106821, -0.00302087,-0.00054629,0.00088128,0.00105710,0.03237726,-0.32794741,- 0.02718098,-0.03357680,0.34653693,-0.00120364,0.00140128,-0.00078437,0 .00032402,-0.00014066,0.00001115,-0.00451491,0.00238012,0.00246330,-0. 00021031,0.00074184,0.00021836,0.00014263,0.01744210,0.00361263,0.0025 4342,0.00022117,-0.00130653,-0.00905608,-0.02576002,-0.05045663,0.0103 7779,0.02904417,0.05157838,0.00667492,0.00978357,0.00461680,0.00079638 ,0.00056648,-0.00214904,-0.00633716,-0.00802300,-0.00045541,-0.0005776 4,-0.00026145,0.00061443,-0.01193246,0.00018495,-0.02634003,0.00180707 ,0.00319108,-0.00660840,-0.07029755,-0.00929101,-0.03545393,0.00222598 ,0.00122230,0.00169216,0.57784072,0.00533676,-0.01659116,0.01509034,0. 00234710,0.00071853,-0.00114712,-0.00464443,-0.00501988,-0.00199825,-0 .00006866,-0.00026334,-0.00080065,-0.00226158,0.01864506,0.00980832,0. 00400445,-0.00086955,0.00047023,-0.00309238,-0.10693243,-0.03487289,-0 .00811393,-0.00861720,-0.02883115,-0.02448301,0.46048500,0.00052258,0. 02850625,0.00422493,-0.00108988,0.00159183,-0.00536051,0.00100553,-0.0 0211473,0.00173654,0.00073890,-0.00035474,-0.00027770,-0.00818834,-0.0 0517651,-0.01847449,-0.00097986,0.00069051,0.00179681,-0.04764643,-0.0 4208449,-0.16448522,0.00064819,0.00144866,-0.00007744,-0.00738325,-0.0 3856535,0.50053350,-0.00051797,0.00058335,-0.00048202,0.00008883,0.000 03818,-0.00003695,0.00042557,-0.00023487,0.00030925,0.00003917,0.00001 547,-0.00001524,0.00070607,-0.00070230,-0.00118823,-0.00043931,-0.0001 0781,0.00055600,0.00631809,0.00408586,-0.00912768,0.00036270,0.0002158 6,0.00066617,-0.15250377,-0.05200967,0.11170325,0.16288916,-0.00195552 ,-0.00322634,-0.00227494,-0.00029019,-0.00019645,0.00158835,0.00109584 ,0.00090877,0.00020823,0.00010111,0.00005197,0.00003563,0.00099191,-0. 00137441,-0.00039059,-0.00032559,-0.00008873,0.00044405,0.00606320,0.0 0509766,-0.00899771,-0.00001499,0.00012151,0.00066895,-0.04973256,-0.0 7026673,0.05557132,0.05504095,0.08342992,-0.00199141,-0.00032032,-0.00 026954,0.00020494,-0.00005266,-0.00009638,0.00116883,0.00264150,0.0011 1646,0.00013327,0.00000562,-0.00015381,0.00220789,-0.00447150,0.001267 81,-0.00083531,-0.00018630,0.00075580,0.01218824,0.00736029,-0.0276416 0,-0.00017445,-0.00043549,0.00061136,0.11508686,0.06015131,-0.16909841 ,-0.12323393,-0.05874287,0.18631802,0.00030852,-0.00061576,0.00011246, -0.00011841,-0.00007221,0.00024056,0.00016536,-0.00058572,0.00039177,- 0.00002825,0.00008100,0.00002271,-0.00035555,-0.00223444,-0.00106278,0 .00017767,0.00040183,-0.00064765,-0.00730228,0.00284587,-0.00347667,0. 00041240,-0.00026174,-0.00035286,-0.26141519,0.08505938,-0.05515209,-0 .02117743,0.00723456,-0.00422320,0.28521137,0.00068048,-0.00327008,-0. 00191295,0.00052355,-0.00056539,0.00099647,-0.00071405,-0.00115097,-0. 00016320,-0.00005924,0.00011388,0.00011774,-0.00069450,0.00101938,-0.0 0328051,-0.00004562,0.00028897,-0.00060318,-0.01136292,0.00635875,-0.0 0006491,-0.00002984,0.00036935,0.00061351,0.08421612,-0.08498995,0.021 61346,-0.00924440,0.00381793,-0.00298371,-0.08876420,0.09229742,0.0006 9911,0.00082799,-0.00042437,-0.00017847,0.00014875,-0.00007929,0.00027 743,-0.00088552,0.00032964,-0.00004288,0.00007779,0.00007049,-0.002421 92,-0.00391719,-0.00371813,-0.00043253,0.00090439,-0.00158573,-0.02812 925,0.01253149,-0.01060650,0.00091806,-0.00016744,0.00074440,-0.051145 82,0.02212331,-0.06072083,0.02230406,-0.00847746,0.00640839,0.05956423 ,-0.02218374,0.06930966,-0.07040331,0.00934751,-0.03556523,0.00223059, -0.00122347,0.00168940,-0.01192355,-0.00021988,-0.02632398,0.00182557, -0.00318643,-0.00661204,-0.00634557,0.00803023,-0.00045557,-0.00057665 ,0.00026068,0.00061336,0.00667975,-0.00972982,0.00461422,0.00079756,-0 .00056377,-0.00213934,-0.07949250,-0.00028299,-0.00471271,0.00032848,- 0.01879847,-0.00047280,0.00359946,0.02594982,-0.00019918,0.57765820,0. 00314801,-0.10695171,0.03491187,0.00813724,-0.00860840,0.02882384,0.00 223214,0.01865688,-0.00982914,-0.00400322,-0.00087513,-0.00047649,0.00 464314,-0.00501804,0.00199939,0.00006783,-0.00026317,0.00080160,-0.005 31429,-0.01659758,-0.01509419,-0.00234453,0.00071800,0.00114250,0.0002 6519,-0.16027620,0.00537113,0.00241854,-0.01573558,-0.00085528,-0.0019 6158,-0.01131897,-0.00079506,0.02451827,0.46051944,-0.04773609,0.04208 195,-0.16453468,0.00064131,-0.00144315,-0.00008462,-0.00820467,0.00518 115,-0.01845801,-0.00098855,-0.00069063,0.00180671,0.00101139,0.002108 16,0.00173574,0.00073923,0.00035523,-0.00027914,0.00052404,-0.02851060 ,0.00423178,-0.00108518,-0.00159293,-0.00536406,-0.00473228,-0.0053557 8,-0.07512646,-0.00098554,0.02079032,0.00120121,0.00206560,0.00666065, -0.00066343,-0.00743953,0.03848603,0.50062269,-0.00733383,-0.00286113, -0.00349548,0.00041481,0.00026109,-0.00035358,-0.00036190,0.00224611,- 0.00105769,0.00017769,-0.00040227,-0.00064913,0.00016790,0.00058115,0. 00039474,-0.00002762,-0.00008099,0.00002228,0.00030395,0.00061297,0.00 011054,-0.00011819,0.00007186,0.00024007,0.00360044,0.00195619,0.00206 033,0.00076762,-0.00001115,-0.00049155,0.00198918,0.00000977,0.0001987 9,-0.26146780,-0.08507709,-0.05490250,0.28528578,0.01135310,0.00636213 ,0.00003822,0.00002924,0.00036899,-0.00061394,0.00069524,0.00102305,0. 00327704,0.00004363,0.00028857,0.00060305,0.00071456,-0.00115027,0.000 16099,0.00005877,0.00011366,-0.00011728,-0.00068343,-0.00325811,0.0019 0936,-0.00052185,-0.00056504,-0.00099400,-0.02595519,-0.01131667,-0.00 661236,-0.00052824,-0.00404502,-0.00049370,-0.00001042,0.00186022,-0.0 0022614,-0.08422269,-0.08500823,-0.02150295,0.08878287,0.09230631,-0.0 2813262,-0.01253548,-0.01057732,0.00092031,0.00016660,0.00074285,-0.00 242793,0.00391298,-0.00371230,-0.00042828,-0.00090352,-0.00158759,0.00 027972,0.00088554,0.00033089,-0.00004273,-0.00007784,0.00007025,0.0006 9763,-0.00082901,-0.00042449,-0.00017887,-0.00014922,-0.00007911,-0.00 019557,0.00080363,-0.00066786,-0.00006587,0.00057248,-0.00000530,0.000 19737,0.00022273,0.00125116,-0.05090930,-0.02202487,-0.06058985,0.0592 9673,0.02207581,0.06918100,0.00633540,-0.00410054,-0.00917052,0.000363 11,-0.00021503,0.00066722,0.00070135,0.00071244,-0.00118140,-0.0004424 9,0.00010740,0.00055740,0.00042863,0.00022796,0.00031127,0.00003967,-0 .00001536,-0.00001573,-0.00051986,-0.00058689,-0.00048588,0.00008895,- 0.00003835,-0.00003713,0.00032484,-0.00242344,-0.00098649,0.00233702,- 0.00022901,-0.00063267,0.00076380,0.00052882,-0.00006618,-0.15220656,0 .05195037,0.11165361,-0.02116570,0.00924877,0.02233467,0.16257640,-0.0 0605824,0.00510260,0.00899912,0.00001589,0.00012102,-0.00066926,-0.000 98978,-0.00138017,0.00039186,0.00032658,-0.00008802,-0.00044431,-0.001 09515,0.00091030,-0.00020806,-0.00010122,0.00005193,-0.00003570,0.0019 5807,-0.00323785,0.00227999,0.00029150,-0.00019704,-0.00159269,0.01875 825,-0.01573903,-0.02082255,0.00022661,0.00140439,-0.00086519,0.000014 29,-0.00403170,-0.00056828,0.04967607,-0.07027161,-0.05561932,-0.00722 647,0.00381937,0.00848373,-0.05496644,0.08343380,0.01214736,-0.0073626 0,-0.02766174,-0.00017623,0.00043634,0.00061099,0.00220882,0.00448466, 0.00126652,-0.00083791,0.00018500,0.00075607,0.00117119,-0.00264675,0. 00111865,0.00013323,-0.00000557,-0.00015358,-0.00199719,0.00032087,-0. 00026759,0.00020517,0.00005309,-0.00009586,-0.00047350,0.00085540,0.00 120792,-0.00063210,0.00086257,0.00227185,-0.00049088,0.00049002,-0.000 00888,0.11504027,-0.06020924,-0.16932306,-0.00418681,0.00297132,0.0063 8412,-0.12318024,0.05881535,0.18657360,0.05374262,-0.00710346,-0.00756 269,-0.00081270,-0.00082856,0.00068237,-0.03268043,-0.03202448,-0.0122 1005,-0.00145450,-0.00044335,0.00151143,-0.00741479,0.02861151,-0.0095 5283,-0.00120187,0.00047152,0.00079305,0.02554557,-0.00549667,0.001593 01,-0.00136944,0.00026766,0.00095791,-0.00253986,0.00025159,0.00145381 ,-0.00010087,0.00027444,0.00049923,-0.00041728,0.00046526,-0.00052742, -0.00513364,0.00189679,0.01219094,-0.00186033,-0.00064334,-0.00333900, -0.00106101,-0.00081636,-0.00026056,0.27930622,-0.07067788,-0.01097335 ,0.00959350,0.00761584,-0.00152149,-0.00569235,0.02494262,0.04199874,0 .02130006,0.00261959,0.00020496,-0.00197662,0.01834201,-0.04380504,0.0 1883768,0.00268984,-0.00020270,-0.00181145,-0.06371668,-0.00393736,0.0 0598071,0.00183390,0.00009599,-0.00184096,0.00745406,0.00041748,-0.004 13164,0.00001822,-0.00104529,-0.00305100,0.00003635,0.00048737,0.00050 196,0.00797495,0.00040729,-0.00446747,-0.00021335,-0.00036435,0.000026 43,-0.00042902,0.00101562,-0.00192277,0.01605047,0.67763091,-0.0358016 2,0.00685215,-0.00452779,0.00069011,0.00027985,-0.00078269,0.01132908, 0.01626066,0.00609970,0.00074572,0.00035143,-0.00096924,0.00409850,-0. 01699019,0.00849874,0.00095782,0.00001736,-0.00059539,-0.01790282,0.00 382305,0.00013131,0.00123075,0.00041594,-0.00115612,0.00354233,-0.0003 1088,-0.00108157,-0.00027158,-0.00061125,-0.00095705,-0.00047566,0.000 61550,0.00009870,0.01277661,-0.00241153,-0.01401097,0.00087634,-0.0006 6554,-0.00231793,-0.00058518,0.00185858,-0.00378590,0.23736389,-0.1940 6182,0.43836509,-0.01380103,-0.00234823,0.00699088,0.00064871,0.000320 39,-0.00025718,0.00271074,0.00626247,0.00525818,0.00006034,0.00006546, -0.00046240,0.00208371,-0.00515641,0.00097999,0.00022588,-0.00012704,- 0.00015435,-0.00628187,-0.00046119,0.00027369,0.00011935,-0.00003929,- 0.00013636,0.00058927,0.00025377,-0.00059920,-0.00000543,-0.00004267,- 0.00022852,0.00006867,-0.00006213,0.00009245,0.00004735,0.00028467,-0. 00000278,0.00011966,0.00003139,0.00046284,0.00008036,-0.00007627,0.000 38069,-0.04308963,0.02850543,-0.06787501,0.06762819,0.00487996,0.00197 274,-0.00268590,-0.00021431,0.00003513,-0.00001670,-0.00191966,-0.0017 8170,-0.00145831,-0.00012402,0.00010931,0.00016419,-0.00039574,0.00215 649,-0.00058858,-0.00018294,-0.00002534,0.00007184,0.00239360,-0.00060 888,-0.00011733,-0.00022265,-0.00005527,0.00018716,-0.00013252,-0.0001 0068,0.00005258,0.00000680,0.00004553,0.00009556,-0.00000133,-0.000053 52,-0.00002856,0.00011760,-0.00020190,-0.00002908,-0.00010855,-0.00003 715,-0.00008985,-0.00004433,0.00003758,-0.00020330,0.04359884,-0.17105 568,0.15460475,-0.04899096,0.17194207,0.01011591,0.00090259,-0.0042263 0,-0.00006125,-0.00062968,0.00005401,-0.00401812,-0.00509284,-0.000963 60,0.00002490,-0.00011412,0.00015717,-0.00135070,0.00527356,-0.0014452 8,-0.00025700,-0.00001782,0.00013554,0.00515272,-0.00052981,0.00005306 ,-0.00015418,-0.00001879,0.00017396,-0.00066067,-0.00015593,0.00037322 ,0.00004652,0.00004446,0.00022099,-0.00006200,-0.00005139,-0.00002847, -0.00046003,-0.00013145,0.00020352,-0.00011709,0.00006916,-0.00023651, 0.00001659,0.00000642,-0.00014257,-0.08353453,0.16147879,-0.21307359,0 .08032155,-0.15523228,0.22254827,0.02561156,0.00548336,0.00159249,-0.0 0136361,-0.00026837,0.00095542,-0.00744908,-0.02868770,-0.00958772,-0. 00120562,-0.00047279,0.00079678,-0.03282497,0.03208956,-0.01224240,-0. 00145613,0.00044178,0.00151525,0.05396477,0.00713296,-0.00763853,-0.00 083247,0.00082561,0.00069791,-0.00516445,-0.00189645,0.01219864,-0.001 05571,0.00081675,-0.00026084,-0.00184976,0.00063856,-0.00333783,-0.002 55083,-0.00025221,0.00145917,-0.00041602,-0.00046413,-0.00052445,-0.00 009979,-0.00027684,0.00050426,-0.05385276,0.05626817,-0.00333106,0.003 95394,0.00950804,0.00222306,0.27877095,0.06354900,-0.00386436,-0.00592 564,-0.00182737,0.00009433,0.00183530,-0.01826131,-0.04381855,-0.01882 381,-0.00269313,-0.00020379,0.00181133,-0.02503102,0.04199019,-0.02133 266,-0.00261654,0.00020358,0.00197858,0.07088194,-0.01099071,-0.009660 42,-0.00765742,-0.00153365,0.00572218,-0.00797898,0.00040003,0.0044635 1,0.00042891,0.00101492,0.00191766,0.00021499,-0.00036644,-0.00003066, -0.00743683,0.00040753,0.00412524,-0.00003723,0.00048525,-0.00049558,- 0.00001740,-0.00104440,0.00305053,-0.05632327,-0.32942467,0.02249079,0 .00850938,-0.00772728,-0.00987649,-0.01612334,0.67731127,-0.01792814,- 0.00383830,0.00012530,0.00122964,-0.00041402,-0.00115525,0.00408953,0. 01704221,0.00850984,0.00096409,-0.00001666,-0.00059928,0.01138993,-0.0 1630988,0.00614554,0.00074540,-0.00035142,-0.00097317,-0.03598703,-0.0 0688706,-0.00456891,0.00070570,-0.00027818,-0.00079284,0.01283872,0.00 242411,-0.01404090,-0.00058759,-0.00186096,-0.00379254,0.00087007,0.00 066715,-0.00230259,0.00354747,0.00031935,-0.00108647,-0.00047626,-0.00 061542,0.00010214,-0.00027223,0.00061223,-0.00096009,-0.00337920,-0.02 239705,-0.08796612,0.00087511,0.01990578,0.00652183,0.23691905,0.19400 000,0.43840210,-0.00627751,0.00045769,0.00026972,0.00011892,0.00003935 ,-0.00013611,0.00207953,0.00516041,0.00098547,0.00022599,0.00012723,-0 .00015467,0.00272931,-0.00626075,0.00525904,0.00006003,-0.00006478,-0. 00046321,-0.01382040,0.00236011,0.00702568,0.00065202,-0.00032057,-0.0 0025945,0.00003941,-0.00028747,0.00000419,0.00008056,0.00007762,0.0003 8365,0.00011833,-0.00003115,0.00046138,0.00058936,-0.00025415,-0.00060 023,0.00006835,0.00006202,0.00009171,-0.00000545,0.00004263,-0.0002286 7,0.00391942,-0.00856296,0.00084880,-0.00123009,0.00055117,0.00108864, -0.04288462,-0.02819862,-0.06756770,0.06746715,-0.00238595,-0.00061205 ,0.00011740,0.00022271,-0.00005554,-0.00018745,0.00039105,0.00215509,0 .00058773,0.00018297,-0.00002556,-0.00007176,0.00192520,-0.00177385,0. 00145288,0.00012320,0.00010972,-0.00016384,-0.00487604,0.00197711,0.00 269667,0.00021530,0.00003717,0.00001629,-0.00012038,-0.00020164,0.0000 3152,0.00004391,0.00003786,0.00020470,0.00010739,-0.00003703,0.0000884 1,0.00013234,-0.00010130,-0.00005161,0.00000061,-0.00005377,0.00002758 ,-0.00000714,0.00004589,-0.00009548,-0.00949874,-0.00777653,-0.0199398 2,-0.00055259,0.00014620,0.00092770,-0.04335281,-0.17085720,-0.1545527 7,0.04873937,0.17179288,0.00514312,0.00053514,0.00005851,-0.00015293,0 .00001855,0.00017311,-0.00134596,-0.00527579,-0.00144888,-0.00025711,0 .00001775,0.00013579,-0.00402980,0.00508907,-0.00095913,0.00002663,0.0 0011434,0.00015683,0.01012748,-0.00091231,-0.00424528,-0.00006376,0.00 062942,0.00005505,-0.00045603,0.00013329,0.00019793,0.00001708,-0.0000 0719,-0.00014408,-0.00011576,-0.00006925,-0.00023453,-0.00066065,0.000 15626,0.00037385,-0.00006159,0.00005163,-0.00002763,0.00004681,-0.0000 4421,0.00022090,0.00225015,0.00990933,0.00653666,0.00108537,-0.0009258 8,-0.00079174,-0.08325988,-0.16148955,-0.21328553,0.08002756,0.1552062 1,0.22278478,-0.00987731,-0.00232905,-0.00187052,0.00006707,0.00094255 ,0.00025052,0.00218132,-0.00108434,0.00214364,-0.00017994,0.00025418,- 0.00031619,-0.00618295,-0.00327243,0.00151082,0.00034471,-0.00010442,- 0.00007925,-0.00190266,0.00232103,-0.00291924,0.00012328,-0.00014107,0 .00014436,-0.00098497,-0.00015978,-0.00038255,0.00029864,-0.00009973,0 .00052053,0.00054895,-0.00066452,0.00062385,-0.00223070,-0.00070637,-0 .00376632,0.00102600,0.00070982,0.00013675,0.00112201,0.00034728,0.000 15601,-0.13870981,-0.07594958,-0.09594371,-0.01511038,-0.00644087,-0.0 0723909,-0.03844255,-0.02292461,-0.02451503,0.00373163,0.00002530,-0.0 0109610,0.29149489,0.00520851,0.00129672,-0.00105684,-0.00118264,0.000 75504,0.00062454,-0.00182853,-0.00251549,-0.00203440,-0.00041702,0.000 05808,0.00018849,-0.00116539,0.00297942,-0.00158898,-0.00037462,0.0000 0112,0.00024180,0.00478781,-0.00008755,-0.00104144,-0.00011027,0.00027 193,0.00031284,0.00008453,-0.00059336,0.00054960,-0.00019901,0.0003999 6,0.00033215,-0.00001604,0.00015353,-0.00029008,-0.00090966,0.00002063 ,-0.00012374,0.00034621,-0.00034389,0.00138155,0.00042515,0.00000538,0 .00038310,-0.04263411,-0.10981892,-0.00732652,0.01723565,0.01094061,0. 00730201,-0.02417617,-0.04299446,-0.01415498,0.00095757,-0.00332619,0. 00186152,0.02637927,0.35030147,0.00350399,0.00042495,-0.00184012,-0.00 040886,0.00039288,0.00050297,0.00096810,-0.00198179,0.00044033,-0.0001 2982,0.00005939,0.00003475,-0.00385433,0.00173781,-0.00144907,0.000007 62,-0.00008238,0.00017868,0.00473558,0.00110946,-0.00173224,-0.0000465 1,0.00013965,0.00035535,-0.00140588,-0.00009791,0.00028102,0.00010054, 0.00029460,0.00055638,0.00046245,-0.00062041,0.00030908,-0.00206967,-0 .00052160,-0.00107397,0.00148064,0.00100134,0.00160902,0.00096590,-0.0 0037908,0.00168937,-0.08108043,-0.03227597,-0.10030420,-0.02115287,-0. 01284743,-0.01043990,-0.03677173,-0.02889847,-0.00320783,-0.00068572,- 0.00161843,0.00229043,0.17862661,-0.01656534,0.21034383,-0.00190201,-0 .00231328,-0.00290801,0.00012252,0.00013987,0.00014358,-0.00615801,0.0 0326069,0.00151090,0.00034387,0.00010381,-0.00007993,0.00216385,0.0010 7399,0.00215108,-0.00017970,-0.00025233,-0.00031617,-0.00990482,0.0023 5362,-0.00189596,0.00007301,-0.00094110,0.00024612,-0.00221029,0.00070 781,-0.00375487,0.00111749,-0.00034713,0.00015515,0.00101366,-0.000707 15,0.00013727,-0.00098612,0.00015758,-0.00038308,0.00054994,0.00066324 ,0.00061855,0.00029830,0.00010003,0.00052120,-0.03845913,0.02286101,-0 .02455733,0.00372843,-0.00001770,-0.00109690,-0.13849581,0.07587843,-0 .09577512,-0.01511209,0.00642936,-0.00725315,0.02305963,-0.01475969,0. 01422543,0.29136626,-0.00476510,-0.00009412,0.00103416,0.00010978,0.00 027103,-0.00031198,0.00115161,0.00297655,0.00158452,0.00037450,0.00000 147,-0.00024107,0.00183785,-0.00250801,0.00203948,0.00041649,0.0000578 9,-0.00018920,-0.00521933,0.00128934,0.00105341,0.00118404,0.00075678, -0.00062505,0.00090910,0.00002244,0.00012240,-0.00042392,0.00000634,-0 .00038145,-0.00034652,-0.00034431,-0.00137984,-0.00008770,-0.00059311, -0.00054867,0.00001835,0.00015516,0.00028975,0.00019869,0.00039939,-0. 00033209,0.02415203,-0.04300913,0.01417089,-0.00096380,-0.00332849,-0. 00186281,0.04251849,-0.10971001,0.00724213,-0.01724051,0.01092512,-0.0 0729024,0.01477170,-0.05884290,0.01056814,-0.02618424,0.35032607,0.004 72212,-0.00109603,-0.00172305,-0.00004665,-0.00013994,0.00035439,-0.00 383083,-0.00174569,-0.00144372,0.00000585,0.00008171,0.00017888,0.0009 5450,0.00198491,0.00043280,-0.00012882,-0.00005840,0.00003566,0.003523 99,-0.00041221,-0.00182334,-0.00040815,-0.00039247,0.00050144,-0.00207 508,0.00051823,-0.00107534,0.00096392,0.00037738,0.00168790,0.00148004 ,-0.00100026,0.00160580,-0.00140405,0.00009555,0.00028560,0.00045984,0 .00061831,0.00030508,0.00009962,-0.00029432,0.00055712,-0.03675982,0.0 2891259,-0.00328179,-0.00068945,0.00162990,0.00230149,-0.08087726,0.03 220694,-0.10018257,-0.02117965,0.01283985,-0.01044516,0.01418927,-0.01 051263,0.00765759,0.17850671,0.01660619,0.21023976,-0.00089753,0.00030 434,-0.00025518,0.00014126,-0.00009230,-0.00017644,-0.00003504,-0.0003 4348,0.00001846,0.00007364,-0.00009085,0.00010129,-0.00002957,0.000344 84,0.00002096,0.00007312,0.00009066,0.00010127,-0.00090401,-0.00030843 ,-0.00025463,0.00014096,0.00009184,-0.00017654,0.00005442,-0.00027302, 0.00026604,0.00012981,0.00003445,-0.00023686,-0.00138101,-0.00010528,0 .00124612,0.00005648,0.00027302,0.00026563,-0.00138430,0.00010937,0.00 124954,0.00012991,-0.00003425,-0.00023719,-0.03263645,0.02024996,-0.02 975520,-0.00154006,-0.00220790,0.00024159,-0.03263537,-0.02024755,-0.0 2973047,-0.00154354,0.00220216,0.00025011,-0.10546170,0.01470704,-0.02 826663,-0.10551417,-0.01475638,-0.02830228,0.64594467,-0.00113043,0.00 019235,0.00149145,0.00025971,-0.00021272,0.00008828,0.00380006,-0.0013 9383,0.00018018,-0.00016500,-0.00003219,-0.00010308,-0.00380575,-0.001 39516,-0.00018281,0.00016534,-0.00003288,0.00010308,0.00113298,0.00018 991,-0.00149146,-0.00026148,-0.00021478,-0.00008666,-0.00023509,0.0008 2524,-0.00000528,0.00024263,-0.00036646,0.00001392,-0.00093824,-0.0002 7839,0.00189317,0.00023259,0.00082751,0.00000329,0.00094277,-0.0002806 9,-0.00189114,-0.00024193,-0.00036601,-0.00001402,0.04889750,0.0086822 6,0.02308345,-0.00483028,-0.00312993,-0.00268801,-0.04887687,0.0086173 1,-0.02303646,0.00483066,-0.00312457,0.00268878,0.02334855,-0.13635545 ,0.03892178,-0.02341979,-0.13642734,-0.03899553,0.00001930,0.36026076, -0.00146090,0.00030338,0.00172733,0.00000970,0.00004297,-0.00046685,0. 00141376,0.00126459,-0.00014233,-0.00005376,-0.00014981,-0.00005420,0. 00142816,-0.00125991,-0.00014231,-0.00005467,0.00014947,-0.00005421,-0 .00146575,-0.00031282,0.00173421,0.00000844,-0.00004359,-0.00046632,0. 00243289,-0.00051381,0.00084260,-0.00075567,-0.00003318,-0.00057587,0. 00007157,0.00204993,0.00013104,0.00243500,0.00051441,0.00084106,0.0000 6743,-0.00204992,0.00013492,-0.00075531,0.00003343,-0.00057559,-0.0224 0691,0.01344510,-0.02469290,-0.00434712,-0.00217576,-0.00096806,-0.022 33327,-0.01342644,-0.02466724,-0.00435562,0.00217103,-0.00097408,-0.03 223838,0.02263932,-0.10110350,-0.03227783,-0.02267264,-0.10110508,-0.0 0566103,0.00010761,0.61576180,0.00068272,-0.00023064,-0.00045348,-0.00 000069,0.00004340,0.00003645,-0.00059905,-0.00049112,-0.00000611,-0.00 004586,0.00001958,-0.00002466,-0.00060233,0.00049022,-0.00000585,-0.00 004577,-0.00001951,-0.00002461,0.00068581,0.00023298,-0.00045540,-0.00 000056,-0.00004341,0.00003655,-0.00002564,-0.00001123,0.00007878,-0.00 008893,0.00002766,0.00011500,0.00006492,0.00001193,-0.00013283,-0.0000 2526,0.00001118,0.00007870,0.00006442,-0.00001192,-0.00013282,-0.00008 889,-0.00002767,0.00011523,-0.00056726,0.00077677,0.00207668,-0.000382 10,0.00013663,0.00015281,-0.00057059,-0.00077871,0.00208189,-0.0003816 2,-0.00013636,0.00015177,-0.00987534,0.01164075,-0.00658516,-0.0098802 6,-0.01164507,-0.00658514,-0.28956816,0.00002142,0.06169018,0.31618164 ,0.00050137,-0.00002837,0.00008378,-0.00003999,0.00000976,0.00001257,- 0.00049392,0.00020211,-0.00011670,0.00000782,-0.00000727,0.00003035,0. 00049372,0.00020375,0.00011691,-0.00000788,-0.00000712,-0.00003038,-0. 00050173,-0.00002759,-0.00008370,0.00004030,0.00001002,-0.00001283,0.0 0011079,0.00003418,-0.00010111,0.00000900,0.00001530,-0.00000750,0.000 02278,0.00000240,-0.00010238,-0.00011059,0.00003396,0.00010133,-0.0000 2313,0.00000241,0.00010209,-0.00000903,0.00001534,0.00000756,-0.001629 00,-0.00420662,-0.00391161,0.00096115,-0.00003458,-0.00039366,0.001626 91,-0.00419641,0.00391090,-0.00096137,-0.00003602,0.00039433,0.0341504 8,-0.00349845,0.00692074,-0.03415533,-0.00349795,-0.00691624,0.0000181 0,-0.05089871,-0.00000756,-0.00001855,0.05898723,0.00054665,-0.0000079 3,-0.00030354,-0.00000564,-0.00001153,0.00009078,-0.00050004,-0.000600 79,-0.00001720,0.00001538,0.00001392,0.00003331,-0.00050261,0.00059991 ,-0.00001708,0.00001551,-0.00001386,0.00003327,0.00054872,0.00000968,- 0.00030565,-0.00000556,0.00001151,0.00009076,-0.00048624,0.00012126,-0 .00023977,0.00025345,-0.00001390,0.00010065,0.00018372,-0.00045454,0.0 0003080,-0.00048694,-0.00012163,-0.00023963,0.00018494,0.00045456,0.00 002990,0.00025353,0.00001395,0.00010037,-0.00125321,0.00131622,-0.0009 9201,-0.00038667,-0.00005333,0.00003829,-0.00125974,-0.00131634,-0.000 99131,-0.00038583,0.00005340,0.00003796,-0.02065714,0.00483643,0.00637 729,-0.02064234,-0.00482589,0.00638544,0.06872752,-0.00001248,-0.07681 199,-0.05594877,0.00000648,0.07275120,-0.00012009,0.00006654,-0.000513 66,0.00004175,-0.00005908,0.00001753,0.00015309,0.00038392,0.00033562, 0.00000669,0.00000960,0.00003254,0.00015264,-0.00038367,0.00033520,0.0 0000664,-0.00000964,0.00003271,-0.00011907,-0.00006630,-0.00051261,0.0 0004168,0.00005913,0.00001749,-0.00047197,0.00009102,0.00019542,0.0000 0021,0.00008852,0.00011793,-0.00039710,-0.00053931,0.00009156,-0.00047 032,-0.00009054,0.00019714,-0.00040005,0.00053919,0.00009162,0.,-0.000 08850,0.00011786,0.00084795,0.00131028,-0.00003744,-0.00062399,-0.0001 8916,-0.00037272,0.00084891,-0.00130932,-0.00003781,-0.00062470,0.0001 8913,-0.00037337,0.00496018,0.00600067,-0.02261923,0.00496546,-0.00601 005,-0.02261866,-0.07321337,0.00001134,0.05860908,-0.00493119,0.000008 09,0.03179132,0.06934665,0.00004341,-0.00020932,0.00004278,-0.00001236 ,0.00002579,0.00001000,-0.00052830,0.00015506,-0.00020635,0.00003485,- 0.00000835,-0.00002422,0.00052943,0.00015558,0.00020662,-0.00003484,-0 .00000829,0.00002428,-0.00004305,-0.00020902,-0.00004185,0.00001249,0. 00002608,-0.00001011,-0.00053324,0.00022986,-0.00004399,0.00007594,-0. 00000705,0.00012427,-0.00021024,-0.00036245,-0.00004492,0.00053224,0.0 0022971,0.00004258,0.00021141,-0.00036194,0.00004562,-0.00007570,-0.00 000678,-0.00012400,-0.00749626,-0.00379948,0.00140474,0.00122109,0.000 75473,0.00079040,0.00749749,-0.00379251,-0.00141070,-0.00122350,0.0007 5423,-0.00079119,0.01062663,-0.00880724,0.03431807,-0.01063171,-0.0088 3221,-0.03430782,0.00001437,-0.04508623,-0.00007580,0.00000166,0.00692 264,-0.00000510,-0.00001184,0.06223718,0.00086542,-0.00010427,-0.00008 234,-0.00004762,-0.00000661,0.00016323,-0.00048151,-0.00078837,-0.0002 1371,0.00004350,0.00002679,0.00003832,-0.00048551,0.00078704,-0.000214 31,0.00004396,-0.00002666,0.00003807,0.00086807,0.00010735,-0.00008450 ,-0.00004731,0.00000675,0.00016314,-0.00080307,0.00015027,-0.00046797, 0.00046218,-0.00004826,0.00021777,0.00039703,-0.00065910,0.00008359,-0 .00080530,-0.00015146,-0.00046784,0.00039900,0.00066044,0.00008455,0.0 0046236,0.00004831,0.00021738,0.00257084,0.00232674,0.00076506,-0.0004 2883,-0.00025949,-0.00046533,0.00256268,-0.00232601,0.00076590,-0.0004 2898,0.00025980,-0.00046575,-0.00727885,0.01404161,-0.01147525,-0.0072 7528,-0.01405015,-0.01144890,0.05056395,-0.00006805,-0.28837243,0.0037 4079,-0.00000336,-0.00618185,-0.04489751,0.00007668,0.31740317||-0.000 04107,-0.00000925,0.00000947,0.00001128,-0.00000203,-0.00000549,0.0000 3187,0.00000650,0.00000678,0.00000096,0.00000132,-0.00000113,-0.000029 16,0.00000277,-0.00000709,-0.00000166,0.00000074,0.00000176,0.00003329 ,-0.00001020,-0.00001075,-0.00000926,-0.00000184,0.00000714,-0.0000003 3,0.00000318,0.00000786,-0.00000036,0.00000037,-0.00000192,-0.00000757 ,0.00000199,0.00000203,0.00000132,0.00000240,-0.00001593,0.00000314,-0 .00000032,0.00000903,-0.00000157,0.00000107,0.00000055,0.00005800,-0.0 0000951,-0.00001873,-0.00001310,0.,0.00001226,-0.00005137,0.00000162,0 .00001776,0.00001361,0.00000014,-0.00001095,-0.00001338,0.00000348,0.0 0000326,0.00000979,0.00000020,-0.00000426,0.00000111,0.00000343,0.0000 0096,0.00000009,0.00000405,0.00000040,0.00000435,-0.00000011,-0.000003 01|||@ BE CAREFUL NOT TO BECOME TOO GOOD OF A SONGBIRD OR THEY'LL THROW YOU INTO A CAGE. -- SNOOPY TO WOODSTOCK Job cpu time: 0 days 0 hours 9 minutes 46.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Thu Feb 08 17:42:52 2018.