Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 5712. 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 16-Dec-2017 ****************************************** %chk=H:\Y3\TS\Exercise 2\TS\exo\exo_TSberry_B3LYP.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; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -1.19401 -1.36453 0.07815 H -1.08858 -2.44469 -0.01239 C -2.10957 -0.70385 -0.72682 H -2.64918 -1.24435 -1.50212 C -2.10956 0.7039 -0.7268 H -2.64916 1.24444 -1.50207 C -1.19397 1.36453 0.07819 H -1.08852 2.44469 -0.0123 C -0.79259 -0.77911 1.4167 H -1.50804 -1.14193 2.16773 H 0.1807 -1.18354 1.7156 C -0.79259 0.77905 1.41672 H -1.50805 1.14186 2.16775 H 0.1807 1.18346 1.71566 C 2.40446 -0.00002 0.41854 C 0.75852 -0.69459 -0.97087 C 0.75851 0.69463 -0.97084 H 3.48777 -0.00002 0.23954 H 0.50625 -1.34451 -1.79213 H 0.50627 1.34457 -1.79209 H 2.20089 -0.00004 1.49817 O 1.81587 1.14799 -0.18555 O 1.81586 -1.148 -0.1856 Add virtual bond connecting atoms C16 and C1 Dist= 4.38D+00. Add virtual bond connecting atoms C17 and C7 Dist= 4.38D+00. Add virtual bond connecting atoms H21 and H11 Dist= 4.44D+00. Add virtual bond connecting atoms H21 and H14 Dist= 4.44D+00. 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) 1.3866 calculate D2E/DX2 analytically ! ! R3 R(1,9) 1.5151 calculate D2E/DX2 analytically ! ! R4 R(1,16) 2.3155 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) 1.3866 calculate D2E/DX2 analytically ! ! R9 R(7,8) 1.0891 calculate D2E/DX2 analytically ! ! R10 R(7,12) 1.5151 calculate D2E/DX2 analytically ! ! R11 R(7,17) 2.3155 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(11,21) 2.3514 calculate D2E/DX2 analytically ! ! R16 R(12,13) 1.0989 calculate D2E/DX2 analytically ! ! R17 R(12,14) 1.0955 calculate D2E/DX2 analytically ! ! R18 R(14,21) 2.3514 calculate D2E/DX2 analytically ! ! R19 R(15,18) 1.098 calculate D2E/DX2 analytically ! ! R20 R(15,21) 1.0987 calculate D2E/DX2 analytically ! ! R21 R(15,22) 1.4245 calculate D2E/DX2 analytically ! ! R22 R(15,23) 1.4245 calculate D2E/DX2 analytically ! ! R23 R(16,17) 1.3892 calculate D2E/DX2 analytically ! ! R24 R(16,19) 1.0773 calculate D2E/DX2 analytically ! ! R25 R(16,23) 1.3929 calculate D2E/DX2 analytically ! ! R26 R(17,20) 1.0773 calculate D2E/DX2 analytically ! ! R27 R(17,22) 1.3929 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 119.2245 calculate D2E/DX2 analytically ! ! A2 A(2,1,9) 115.5323 calculate D2E/DX2 analytically ! ! A3 A(2,1,16) 99.6521 calculate D2E/DX2 analytically ! ! A4 A(3,1,9) 120.2458 calculate D2E/DX2 analytically ! ! A5 A(3,1,16) 98.9703 calculate D2E/DX2 analytically ! ! A6 A(9,1,16) 93.7293 calculate D2E/DX2 analytically ! ! A7 A(1,3,4) 120.286 calculate D2E/DX2 analytically ! ! A8 A(1,3,5) 118.4536 calculate D2E/DX2 analytically ! ! A9 A(4,3,5) 119.7791 calculate D2E/DX2 analytically ! ! A10 A(3,5,6) 119.7792 calculate D2E/DX2 analytically ! ! A11 A(3,5,7) 118.4532 calculate D2E/DX2 analytically ! ! A12 A(6,5,7) 120.2861 calculate D2E/DX2 analytically ! ! A13 A(5,7,8) 119.2243 calculate D2E/DX2 analytically ! ! A14 A(5,7,12) 120.2451 calculate D2E/DX2 analytically ! ! A15 A(5,7,17) 98.9714 calculate D2E/DX2 analytically ! ! A16 A(8,7,12) 115.5321 calculate D2E/DX2 analytically ! ! A17 A(8,7,17) 99.6522 calculate D2E/DX2 analytically ! ! A18 A(12,7,17) 93.7306 calculate D2E/DX2 analytically ! ! A19 A(1,9,10) 107.682 calculate D2E/DX2 analytically ! ! A20 A(1,9,11) 109.4983 calculate D2E/DX2 analytically ! ! A21 A(1,9,12) 112.7309 calculate D2E/DX2 analytically ! ! A22 A(10,9,11) 105.6677 calculate D2E/DX2 analytically ! ! A23 A(10,9,12) 109.2788 calculate D2E/DX2 analytically ! ! A24 A(11,9,12) 111.6634 calculate D2E/DX2 analytically ! ! A25 A(9,11,21) 123.5209 calculate D2E/DX2 analytically ! ! A26 A(7,12,9) 112.731 calculate D2E/DX2 analytically ! ! A27 A(7,12,13) 107.6818 calculate D2E/DX2 analytically ! ! A28 A(7,12,14) 109.4984 calculate D2E/DX2 analytically ! ! A29 A(9,12,13) 109.2788 calculate D2E/DX2 analytically ! ! A30 A(9,12,14) 111.6634 calculate D2E/DX2 analytically ! ! A31 A(13,12,14) 105.6678 calculate D2E/DX2 analytically ! ! A32 A(12,14,21) 123.5205 calculate D2E/DX2 analytically ! ! A33 A(18,15,21) 110.0597 calculate D2E/DX2 analytically ! ! A34 A(18,15,22) 109.7872 calculate D2E/DX2 analytically ! ! A35 A(18,15,23) 109.7871 calculate D2E/DX2 analytically ! ! A36 A(21,15,22) 109.8877 calculate D2E/DX2 analytically ! ! A37 A(21,15,23) 109.8875 calculate D2E/DX2 analytically ! ! A38 A(22,15,23) 107.3902 calculate D2E/DX2 analytically ! ! A39 A(1,16,17) 106.8166 calculate D2E/DX2 analytically ! ! A40 A(1,16,19) 88.4734 calculate D2E/DX2 analytically ! ! A41 A(1,16,23) 106.8883 calculate D2E/DX2 analytically ! ! A42 A(17,16,19) 127.1083 calculate D2E/DX2 analytically ! ! A43 A(17,16,23) 108.9958 calculate D2E/DX2 analytically ! ! A44 A(19,16,23) 114.2781 calculate D2E/DX2 analytically ! ! A45 A(7,17,16) 106.8179 calculate D2E/DX2 analytically ! ! A46 A(7,17,20) 88.4754 calculate D2E/DX2 analytically ! ! A47 A(7,17,22) 106.8886 calculate D2E/DX2 analytically ! ! A48 A(16,17,20) 127.1073 calculate D2E/DX2 analytically ! ! A49 A(16,17,22) 108.9951 calculate D2E/DX2 analytically ! ! A50 A(20,17,22) 114.2775 calculate D2E/DX2 analytically ! ! A51 A(11,21,14) 60.4391 calculate D2E/DX2 analytically ! ! A52 A(11,21,15) 104.4811 calculate D2E/DX2 analytically ! ! A53 A(14,21,15) 104.4814 calculate D2E/DX2 analytically ! ! A54 A(15,22,17) 106.883 calculate D2E/DX2 analytically ! ! A55 A(15,23,16) 106.8829 calculate D2E/DX2 analytically ! ! D1 D(2,1,3,4) -5.5876 calculate D2E/DX2 analytically ! ! D2 D(2,1,3,5) -171.6757 calculate D2E/DX2 analytically ! ! D3 D(9,1,3,4) -159.4727 calculate D2E/DX2 analytically ! ! D4 D(9,1,3,5) 34.4392 calculate D2E/DX2 analytically ! ! D5 D(16,1,3,4) 100.8403 calculate D2E/DX2 analytically ! ! D6 D(16,1,3,5) -65.2478 calculate D2E/DX2 analytically ! ! D7 D(2,1,9,10) -66.8095 calculate D2E/DX2 analytically ! ! D8 D(2,1,9,11) 47.6201 calculate D2E/DX2 analytically ! ! D9 D(2,1,9,12) 172.575 calculate D2E/DX2 analytically ! ! D10 D(3,1,9,10) 87.9943 calculate D2E/DX2 analytically ! ! D11 D(3,1,9,11) -157.5762 calculate D2E/DX2 analytically ! ! D12 D(3,1,9,12) -32.6213 calculate D2E/DX2 analytically ! ! D13 D(16,1,9,10) -169.3624 calculate D2E/DX2 analytically ! ! D14 D(16,1,9,11) -54.9328 calculate D2E/DX2 analytically ! ! D15 D(16,1,9,12) 70.0221 calculate D2E/DX2 analytically ! ! D16 D(2,1,16,17) 178.4079 calculate D2E/DX2 analytically ! ! D17 D(2,1,16,19) 49.9129 calculate D2E/DX2 analytically ! ! D18 D(2,1,16,23) -65.0328 calculate D2E/DX2 analytically ! ! D19 D(3,1,16,17) 56.5225 calculate D2E/DX2 analytically ! ! D20 D(3,1,16,19) -71.9725 calculate D2E/DX2 analytically ! ! D21 D(3,1,16,23) 173.0818 calculate D2E/DX2 analytically ! ! D22 D(9,1,16,17) -64.8983 calculate D2E/DX2 analytically ! ! D23 D(9,1,16,19) 166.6067 calculate D2E/DX2 analytically ! ! D24 D(9,1,16,23) 51.661 calculate D2E/DX2 analytically ! ! D25 D(1,3,5,6) 166.1605 calculate D2E/DX2 analytically ! ! D26 D(1,3,5,7) 0.0008 calculate D2E/DX2 analytically ! ! D27 D(4,3,5,6) 0.0 calculate D2E/DX2 analytically ! ! D28 D(4,3,5,7) -166.1597 calculate D2E/DX2 analytically ! ! D29 D(3,5,7,8) 171.6767 calculate D2E/DX2 analytically ! ! D30 D(3,5,7,12) -34.441 calculate D2E/DX2 analytically ! ! D31 D(3,5,7,17) 65.2481 calculate D2E/DX2 analytically ! ! D32 D(6,5,7,8) 5.5894 calculate D2E/DX2 analytically ! ! D33 D(6,5,7,12) 159.4717 calculate D2E/DX2 analytically ! ! D34 D(6,5,7,17) -100.8392 calculate D2E/DX2 analytically ! ! D35 D(5,7,12,9) 32.6237 calculate D2E/DX2 analytically ! ! D36 D(5,7,12,13) -87.9918 calculate D2E/DX2 analytically ! ! D37 D(5,7,12,14) 157.5787 calculate D2E/DX2 analytically ! ! D38 D(8,7,12,9) -172.5752 calculate D2E/DX2 analytically ! ! D39 D(8,7,12,13) 66.8094 calculate D2E/DX2 analytically ! ! D40 D(8,7,12,14) -47.6202 calculate D2E/DX2 analytically ! ! D41 D(17,7,12,9) -70.0216 calculate D2E/DX2 analytically ! ! D42 D(17,7,12,13) 169.3629 calculate D2E/DX2 analytically ! ! D43 D(17,7,12,14) 54.9334 calculate D2E/DX2 analytically ! ! D44 D(5,7,17,16) -56.5227 calculate D2E/DX2 analytically ! ! D45 D(5,7,17,20) 71.9722 calculate D2E/DX2 analytically ! ! D46 D(5,7,17,22) -173.082 calculate D2E/DX2 analytically ! ! D47 D(8,7,17,16) -178.4082 calculate D2E/DX2 analytically ! ! D48 D(8,7,17,20) -49.9133 calculate D2E/DX2 analytically ! ! D49 D(8,7,17,22) 65.0324 calculate D2E/DX2 analytically ! ! D50 D(12,7,17,16) 64.8979 calculate D2E/DX2 analytically ! ! D51 D(12,7,17,20) -166.6072 calculate D2E/DX2 analytically ! ! D52 D(12,7,17,22) -51.6615 calculate D2E/DX2 analytically ! ! D53 D(1,9,11,21) 101.4555 calculate D2E/DX2 analytically ! ! D54 D(10,9,11,21) -142.8253 calculate D2E/DX2 analytically ! ! D55 D(12,9,11,21) -24.1154 calculate D2E/DX2 analytically ! ! D56 D(1,9,12,7) -0.0013 calculate D2E/DX2 analytically ! ! D57 D(1,9,12,13) 119.6955 calculate D2E/DX2 analytically ! ! D58 D(1,9,12,14) -123.7671 calculate D2E/DX2 analytically ! ! D59 D(10,9,12,7) -119.6983 calculate D2E/DX2 analytically ! ! D60 D(10,9,12,13) -0.0016 calculate D2E/DX2 analytically ! ! D61 D(10,9,12,14) 116.5358 calculate D2E/DX2 analytically ! ! D62 D(11,9,12,7) 123.7644 calculate D2E/DX2 analytically ! ! D63 D(11,9,12,13) -116.5388 calculate D2E/DX2 analytically ! ! D64 D(11,9,12,14) -0.0015 calculate D2E/DX2 analytically ! ! D65 D(9,11,21,14) 26.0686 calculate D2E/DX2 analytically ! ! D66 D(9,11,21,15) -72.5838 calculate D2E/DX2 analytically ! ! D67 D(7,12,14,21) -101.4535 calculate D2E/DX2 analytically ! ! D68 D(9,12,14,21) 24.1176 calculate D2E/DX2 analytically ! ! D69 D(13,12,14,21) 142.8276 calculate D2E/DX2 analytically ! ! D70 D(12,14,21,11) -26.0695 calculate D2E/DX2 analytically ! ! D71 D(12,14,21,15) 72.5822 calculate D2E/DX2 analytically ! ! D72 D(18,15,21,11) -148.6791 calculate D2E/DX2 analytically ! ! D73 D(18,15,21,14) 148.6792 calculate D2E/DX2 analytically ! ! D74 D(22,15,21,11) 90.3007 calculate D2E/DX2 analytically ! ! D75 D(22,15,21,14) 27.659 calculate D2E/DX2 analytically ! ! D76 D(23,15,21,11) -27.6591 calculate D2E/DX2 analytically ! ! D77 D(23,15,21,14) -90.3007 calculate D2E/DX2 analytically ! ! D78 D(18,15,22,17) 128.3545 calculate D2E/DX2 analytically ! ! D79 D(21,15,22,17) -110.4615 calculate D2E/DX2 analytically ! ! D80 D(23,15,22,17) 9.0352 calculate D2E/DX2 analytically ! ! D81 D(18,15,23,16) -128.3541 calculate D2E/DX2 analytically ! ! D82 D(21,15,23,16) 110.4621 calculate D2E/DX2 analytically ! ! D83 D(22,15,23,16) -9.0347 calculate D2E/DX2 analytically ! ! D84 D(1,16,17,7) 0.0001 calculate D2E/DX2 analytically ! ! D85 D(1,16,17,20) -101.1748 calculate D2E/DX2 analytically ! ! D86 D(1,16,17,22) 115.1519 calculate D2E/DX2 analytically ! ! D87 D(19,16,17,7) 101.1717 calculate D2E/DX2 analytically ! ! D88 D(19,16,17,20) -0.0031 calculate D2E/DX2 analytically ! ! D89 D(19,16,17,22) -143.6764 calculate D2E/DX2 analytically ! ! D90 D(23,16,17,7) -115.151 calculate D2E/DX2 analytically ! ! D91 D(23,16,17,20) 143.6741 calculate D2E/DX2 analytically ! ! D92 D(23,16,17,22) 0.0008 calculate D2E/DX2 analytically ! ! D93 D(1,16,23,15) -109.4622 calculate D2E/DX2 analytically ! ! D94 D(17,16,23,15) 5.6425 calculate D2E/DX2 analytically ! ! D95 D(19,16,23,15) 154.43 calculate D2E/DX2 analytically ! ! D96 D(7,17,22,15) 109.4623 calculate D2E/DX2 analytically ! ! D97 D(16,17,22,15) -5.6439 calculate D2E/DX2 analytically ! ! D98 D(20,17,22,15) -154.4278 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 -1.194011 -1.364527 0.078146 2 1 0 -1.088578 -2.444693 -0.012387 3 6 0 -2.109573 -0.703853 -0.726820 4 1 0 -2.649184 -1.244347 -1.502115 5 6 0 -2.109559 0.703903 -0.726796 6 1 0 -2.649158 1.244435 -1.502072 7 6 0 -1.193967 1.364525 0.078185 8 1 0 -1.088522 2.444694 -0.012300 9 6 0 -0.792594 -0.779108 1.416695 10 1 0 -1.508042 -1.141933 2.167731 11 1 0 0.180699 -1.183540 1.715596 12 6 0 -0.792586 0.779050 1.416723 13 1 0 -1.508051 1.141856 2.167753 14 1 0 0.180703 1.183461 1.715663 15 6 0 2.404457 -0.000015 0.418535 16 6 0 0.758515 -0.694590 -0.970870 17 6 0 0.758507 0.694627 -0.970835 18 1 0 3.487770 -0.000015 0.239542 19 1 0 0.506246 -1.344513 -1.792132 20 1 0 0.506272 1.344574 -1.792090 21 1 0 2.200894 -0.000039 1.498171 22 8 0 1.815867 1.147992 -0.185546 23 8 0 1.815860 -1.147995 -0.185595 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089069 0.000000 3 C 1.386620 2.140880 0.000000 4 H 2.151557 2.468929 1.088300 0.000000 5 C 2.400950 3.386213 1.407756 2.165177 0.000000 6 H 3.379530 4.273668 2.165178 2.488782 1.088299 7 C 2.729052 3.811752 2.400949 3.379529 1.386623 8 H 3.811755 4.889387 3.386212 4.273668 2.140882 9 C 1.515112 2.214510 2.516894 3.490390 2.920321 10 H 2.124742 2.574111 2.988675 3.844537 3.485286 11 H 2.145653 2.487468 3.382431 4.285510 3.843566 12 C 2.558877 3.538712 2.920314 4.007581 2.516891 13 H 3.278267 4.218092 3.485258 4.523724 2.988650 14 H 3.326191 4.214348 3.843571 4.925100 3.382437 15 C 3.863513 4.285258 4.709957 5.547661 4.709949 16 C 2.315515 2.719063 2.878467 3.492401 3.200188 17 C 3.025360 3.766388 3.200183 3.956544 2.878445 18 H 4.879243 5.194505 5.723591 6.499533 5.723583 19 H 2.527690 2.630846 2.896177 3.170313 3.489038 20 H 3.705128 4.479892 3.489054 4.091882 2.896184 21 H 3.924752 4.367922 4.901639 5.837232 4.901634 22 O 3.929587 4.623113 4.373944 5.233863 3.987372 23 O 3.029153 3.185465 3.987381 4.656085 4.373939 6 7 8 9 10 6 H 0.000000 7 C 2.151561 0.000000 8 H 2.468932 1.089069 0.000000 9 C 4.007587 2.558881 3.538714 0.000000 10 H 4.523754 3.278289 4.218107 1.098892 0.000000 11 H 4.925093 3.326177 4.214336 1.095539 1.748715 12 C 3.490388 1.515114 2.214510 1.558158 2.183132 13 H 3.844511 2.124741 2.574106 2.183133 2.283789 14 H 4.285516 2.145655 2.487468 2.210965 2.909241 15 C 5.547649 3.863478 4.285221 3.438669 4.435235 16 C 3.956543 3.025336 3.766365 2.848429 3.897206 17 C 3.492375 2.315461 2.719015 3.205949 4.284950 18 H 6.499520 4.879208 5.194466 4.507127 5.475402 19 H 4.091865 3.705091 4.479863 3.507597 4.447349 20 H 3.170312 2.527675 2.630833 4.061204 5.091204 21 H 5.837223 3.924726 4.367894 3.094278 3.938076 22 O 4.656070 3.029116 3.185424 3.617314 4.672263 23 O 5.233853 3.929554 4.623081 3.083414 4.072653 11 12 13 14 15 11 H 0.000000 12 C 2.210965 0.000000 13 H 2.909259 1.098892 0.000000 14 H 2.367001 1.095539 1.748716 0.000000 15 C 2.833408 3.438663 4.435240 2.833415 0.000000 16 C 2.791065 3.205952 4.284952 3.328423 2.263185 17 C 3.328406 2.848412 3.897183 2.791073 2.263190 18 H 3.810011 4.507122 5.475408 3.810018 1.098001 19 H 3.526478 4.061186 5.091180 4.336042 3.209039 20 H 4.336037 3.507610 4.447353 3.526512 3.209032 21 H 2.351412 3.094275 3.938088 2.351414 1.098659 22 O 3.424056 3.083409 4.072651 2.507910 1.424525 23 O 2.507896 3.617308 4.672264 3.424063 1.424527 16 17 18 19 20 16 C 0.000000 17 C 1.389217 0.000000 18 H 3.065349 3.065357 0.000000 19 H 1.077270 2.212749 3.850306 0.000000 20 H 2.212740 1.077271 3.850296 2.689087 0.000000 21 H 2.942622 2.942623 1.800055 3.937707 3.937708 22 O 2.264914 1.392921 2.072168 3.241729 2.081986 23 O 1.392915 2.264918 2.072169 2.081987 3.241720 21 22 23 21 H 0.000000 22 O 2.073915 0.000000 23 O 2.073915 2.295987 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 -1.364527 0.078146 2 1 0 -1.088578 -2.444693 -0.012387 3 6 0 -2.109573 -0.703853 -0.726820 4 1 0 -2.649184 -1.244347 -1.502115 5 6 0 -2.109559 0.703903 -0.726796 6 1 0 -2.649158 1.244435 -1.502072 7 6 0 -1.193967 1.364525 0.078185 8 1 0 -1.088522 2.444694 -0.012300 9 6 0 -0.792594 -0.779108 1.416695 10 1 0 -1.508042 -1.141933 2.167731 11 1 0 0.180699 -1.183540 1.715596 12 6 0 -0.792586 0.779050 1.416723 13 1 0 -1.508051 1.141856 2.167753 14 1 0 0.180703 1.183461 1.715663 15 6 0 2.404457 -0.000015 0.418535 16 6 0 0.758515 -0.694590 -0.970870 17 6 0 0.758507 0.694627 -0.970835 18 1 0 3.487770 -0.000015 0.239542 19 1 0 0.506246 -1.344513 -1.792132 20 1 0 0.506272 1.344574 -1.792090 21 1 0 2.200894 -0.000039 1.498171 22 8 0 1.815867 1.147992 -0.185546 23 8 0 1.815860 -1.147995 -0.185595 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100536 1.0126953 0.9486293 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -2.256354024034 -2.578581829125 0.147674307926 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 -2.256354024034 -2.578581829125 0.147674307926 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 -2.256354024034 -2.578581829125 0.147674307926 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -2.256354024034 -2.578581829125 0.147674307926 0.8000000000D+00 0.1000000000D+01 Atom H2 Shell 5 S 3 bf 16 - 16 -2.057114732445 -4.619799767070 -0.023408268062 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 -2.057114732445 -4.619799767070 -0.023408268062 0.1612777588D+00 0.1000000000D+01 Atom C3 Shell 7 S 6 bf 18 - 18 -3.986515337071 -1.330088733281 -1.373490978358 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 -3.986515337071 -1.330088733281 -1.373490978358 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 -3.986515337071 -1.330088733281 -1.373490978358 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 10 D 1 bf 27 - 32 -3.986515337071 -1.330088733281 -1.373490978358 0.8000000000D+00 0.1000000000D+01 Atom H4 Shell 11 S 3 bf 33 - 33 -5.006232447331 -2.351474267948 -2.838586200554 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 -5.006232447331 -2.351474267948 -2.838586200554 0.1612777588D+00 0.1000000000D+01 Atom C5 Shell 13 S 6 bf 35 - 35 -3.986488615323 1.330184568643 -1.373445624931 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 -3.986488615323 1.330184568643 -1.373445624931 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 -3.986488615323 1.330184568643 -1.373445624931 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 16 D 1 bf 44 - 49 -3.986488615323 1.330184568643 -1.373445624931 0.8000000000D+00 0.1000000000D+01 Atom H6 Shell 17 S 3 bf 50 - 50 -5.006182844927 2.351642116503 -2.838504942330 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 -5.006182844927 2.351642116503 -2.838504942330 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 19 S 6 bf 52 - 52 -2.256270361232 2.578579053270 0.147748007245 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 -2.256270361232 2.578579053270 0.147748007245 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 -2.256270361232 2.578579053270 0.147748007245 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 22 D 1 bf 61 - 66 -2.256270361232 2.578579053270 0.147748007245 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 -2.057007985369 4.619802620610 -0.023243861889 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 -2.057007985369 4.619802620610 -0.023243861889 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 25 S 6 bf 69 - 69 -1.497785718506 -1.472300321867 2.677165333374 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 -1.497785718506 -1.472300321867 2.677165333374 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 -1.497785718506 -1.472300321867 2.677165333374 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 28 D 1 bf 78 - 83 -1.497785718506 -1.472300321867 2.677165333374 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 29 S 3 bf 84 - 84 -2.849786569276 -2.157940071058 4.096417689312 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 -2.849786569276 -2.157940071058 4.096417689312 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 0.341471422250 -2.236566224860 3.242006364220 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 0.341471422250 -2.236566224860 3.242006364220 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 -1.497770306741 1.472191569896 2.677218245706 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 -1.497770306741 1.472191569896 2.677218245706 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 -1.497770306741 1.472191569896 2.677218245706 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 -1.497770306741 1.472191569896 2.677218245706 0.8000000000D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 -2.849803145961 2.157795684241 4.096459263287 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 -2.849803145961 2.157795684241 4.096459263287 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 0.341479427703 2.236417421406 3.242132975871 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 0.341479427703 2.236417421406 3.242132975871 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 4.543765251342 -0.000028522962 0.790916296573 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 4.543765251342 -0.000028522962 0.790916296573 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 4.543765251342 -0.000028522962 0.790916296573 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 4.543765251342 -0.000028522962 0.790916296573 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 1.433385509693 -1.312584741194 -1.834678641089 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 C16 Shell 46 SP 3 bf 123 - 126 1.433385509693 -1.312584741194 -1.834678641089 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 C16 Shell 47 SP 1 bf 127 - 130 1.433385509693 -1.312584741194 -1.834678641089 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 1.433385509693 -1.312584741194 -1.834678641089 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 49 S 6 bf 137 - 137 1.433370653968 1.312654927956 -1.834612500674 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 50 SP 3 bf 138 - 141 1.433370653968 1.312654927956 -1.834612500674 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 51 SP 1 bf 142 - 145 1.433370653968 1.312654927956 -1.834612500674 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 52 D 1 bf 146 - 151 1.433370653968 1.312654927956 -1.834612500674 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 53 S 3 bf 152 - 152 6.590930137537 -0.000028727336 0.452668546869 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 54 S 1 bf 153 - 153 6.590930137537 -0.000028727336 0.452668546869 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 55 S 3 bf 154 - 154 0.956666065264 -2.540761171066 -3.386638904435 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 56 S 1 bf 155 - 155 0.956666065264 -2.540761171066 -3.386638904435 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 57 S 3 bf 156 - 156 0.956715705456 2.540876806433 -3.386559535937 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 58 S 1 bf 157 - 157 0.956715705456 2.540876806433 -3.386559535937 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 59 S 3 bf 158 - 158 4.159086930549 -0.000073837986 2.831132659777 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 60 S 1 bf 159 - 159 4.159086930549 -0.000073837986 2.831132659777 0.1612777588D+00 0.1000000000D+01 Atom O22 Shell 61 S 6 bf 160 - 160 3.431491563366 2.169390416715 -0.350631355507 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 O22 Shell 62 SP 3 bf 161 - 164 3.431491563366 2.169390416715 -0.350631355507 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 O22 Shell 63 SP 1 bf 165 - 168 3.431491563366 2.169390416715 -0.350631355507 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 64 D 1 bf 169 - 174 3.431491563366 2.169390416715 -0.350631355507 0.8000000000D+00 0.1000000000D+01 Atom O23 Shell 65 S 6 bf 175 - 175 3.431477902131 -2.169396217950 -0.350723952087 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 O23 Shell 66 SP 3 bf 176 - 179 3.431477902131 -2.169396217950 -0.350723952087 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 O23 Shell 67 SP 1 bf 180 - 183 3.431477902131 -2.169396217950 -0.350723952087 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O23 Shell 68 D 1 bf 184 - 189 3.431477902131 -2.169396217950 -0.350723952087 0.8000000000D+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 650.5228917810 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 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) = -500.488668970 A.U. after 15 cycles NFock= 15 Conv=0.42D-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 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= 1.29D-01 1.76D-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= 1.08D-02 3.13D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 8.68D-05 1.64D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 1.67D-07 5.18D-05. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.96D-10 1.87D-06. 60 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 1.88D-13 4.09D-08. InvSVY: IOpt=1 It= 1 EMax= 7.77D-16 Solved reduced A of dimension 390 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 -- -19.17684 -19.17683 -10.29231 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18643 -10.18641 -10.18036 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10713 -1.01317 -0.82908 -0.76590 Alpha occ. eigenvalues -- -0.73369 -0.72867 -0.64377 -0.61451 -0.60398 Alpha occ. eigenvalues -- -0.58467 -0.53236 -0.51151 -0.49417 -0.47020 Alpha occ. eigenvalues -- -0.44670 -0.44356 -0.44106 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38414 -0.37326 -0.35525 -0.34881 Alpha occ. eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28625 -0.19800 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00698 0.01018 0.08377 0.11232 0.11912 Alpha virt. eigenvalues -- 0.12247 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16393 0.17145 0.17764 0.19270 0.19772 Alpha virt. eigenvalues -- 0.20300 0.22882 0.23611 0.24270 0.24913 Alpha virt. eigenvalues -- 0.30440 0.31361 0.32662 0.37011 0.43215 Alpha virt. eigenvalues -- 0.47398 0.47794 0.49140 0.50827 0.52316 Alpha virt. eigenvalues -- 0.54651 0.54787 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60745 0.61336 0.61822 0.63632 0.66310 Alpha virt. eigenvalues -- 0.67864 0.71284 0.72295 0.74095 0.75192 Alpha virt. eigenvalues -- 0.77534 0.79576 0.79876 0.81066 0.82848 Alpha virt. eigenvalues -- 0.84200 0.85444 0.86452 0.88062 0.88447 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91380 0.93717 Alpha virt. eigenvalues -- 0.94028 0.95122 1.00797 1.01440 1.02297 Alpha virt. eigenvalues -- 1.02719 1.09205 1.09918 1.11414 1.14919 Alpha virt. eigenvalues -- 1.15181 1.18938 1.20406 1.25130 1.26444 Alpha virt. eigenvalues -- 1.36727 1.37043 1.39834 1.42715 1.43217 Alpha virt. eigenvalues -- 1.43861 1.47573 1.49205 1.52644 1.58531 Alpha virt. eigenvalues -- 1.63997 1.66107 1.72040 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77090 1.79420 1.86000 1.87774 1.88529 Alpha virt. eigenvalues -- 1.90843 1.93559 1.95824 1.97649 1.97828 Alpha virt. eigenvalues -- 1.98101 2.00055 2.01934 2.04153 2.08886 Alpha virt. eigenvalues -- 2.12026 2.14078 2.16026 2.23003 2.25489 Alpha virt. eigenvalues -- 2.26209 2.27979 2.29194 2.30952 2.31852 Alpha virt. eigenvalues -- 2.37118 2.40149 2.43436 2.44805 2.45142 Alpha virt. eigenvalues -- 2.48406 2.52227 2.54540 2.59887 2.62736 Alpha virt. eigenvalues -- 2.64516 2.67572 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76583 2.80385 2.86682 2.87987 2.94455 Alpha virt. eigenvalues -- 3.10579 3.13114 4.00618 4.10567 4.12768 Alpha virt. eigenvalues -- 4.25201 4.26811 4.36204 4.37021 4.44855 Alpha virt. eigenvalues -- 4.48938 4.64964 4.87450 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29231 -10.23860 -10.23802 1 1 C 1S -0.00002 -0.00001 0.00004 -0.00011 0.00022 2 2S -0.00014 -0.00005 0.00012 -0.00041 0.00085 3 2PX 0.00001 0.00002 0.00003 -0.00010 0.00008 4 2PY 0.00000 0.00000 0.00006 -0.00008 0.00015 5 2PZ 0.00000 0.00001 0.00003 -0.00003 0.00010 6 3S 0.00113 0.00020 -0.00079 0.00148 -0.00369 7 3PX -0.00002 -0.00013 -0.00019 0.00090 -0.00076 8 3PY 0.00049 0.00003 -0.00067 0.00037 -0.00137 9 3PZ -0.00004 -0.00023 -0.00037 0.00000 0.00002 10 4XX 0.00002 0.00002 0.00004 -0.00005 0.00013 11 4YY -0.00002 -0.00001 0.00004 -0.00020 0.00028 12 4ZZ -0.00002 0.00000 0.00003 -0.00013 0.00020 13 4XY -0.00001 -0.00001 -0.00002 0.00007 -0.00010 14 4XZ 0.00002 0.00000 -0.00003 -0.00009 0.00012 15 4YZ 0.00000 -0.00001 -0.00002 -0.00003 0.00005 16 2 H 1S -0.00001 -0.00001 -0.00002 -0.00006 0.00005 17 2S 0.00010 0.00000 -0.00025 -0.00007 -0.00001 18 3 C 1S 0.00002 0.00001 -0.00002 -0.00008 0.00004 19 2S 0.00011 0.00004 -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 -0.00001 -0.00002 0.00001 0.00003 0.00001 23 3S -0.00115 -0.00023 0.00019 0.00041 0.00110 24 3PX -0.00046 -0.00007 0.00024 -0.00002 0.00054 25 3PY -0.00021 0.00016 0.00025 -0.00017 0.00035 26 3PZ -0.00028 0.00001 0.00019 -0.00007 0.00056 27 4XX 0.00001 0.00000 -0.00001 -0.00006 0.00003 28 4YY 0.00002 0.00001 -0.00003 -0.00006 0.00005 29 4ZZ 0.00004 0.00002 -0.00003 -0.00007 0.00004 30 4XY 0.00000 0.00001 0.00001 -0.00002 0.00001 31 4XZ -0.00002 -0.00001 0.00002 0.00000 -0.00001 32 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 33 4 H 1S 0.00001 0.00002 0.00003 0.00001 0.00002 34 2S -0.00009 0.00004 0.00012 -0.00020 0.00028 35 5 C 1S -0.00002 0.00002 -0.00002 -0.00008 -0.00004 36 2S -0.00008 0.00008 -0.00007 -0.00010 -0.00006 37 2PX 0.00000 0.00000 -0.00002 -0.00007 -0.00005 38 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 39 2PZ 0.00000 -0.00002 0.00001 0.00003 -0.00001 40 3S 0.00091 -0.00074 0.00019 0.00041 -0.00110 41 3PX 0.00037 -0.00028 0.00024 -0.00002 -0.00054 42 3PY -0.00026 -0.00005 -0.00025 0.00017 0.00035 43 3PZ 0.00025 -0.00013 0.00019 -0.00007 -0.00056 44 4XX -0.00001 0.00000 -0.00001 -0.00006 -0.00003 45 4YY -0.00001 0.00002 -0.00003 -0.00006 -0.00005 46 4ZZ -0.00002 0.00004 -0.00003 -0.00007 -0.00004 47 4XY -0.00001 -0.00001 -0.00001 0.00002 0.00001 48 4XZ 0.00001 -0.00002 0.00002 0.00000 0.00001 49 4YZ 0.00001 0.00000 0.00000 0.00006 0.00006 50 6 H 1S 0.00000 0.00002 0.00003 0.00001 -0.00002 51 2S 0.00010 -0.00001 0.00012 -0.00020 -0.00028 52 7 C 1S 0.00002 -0.00002 0.00004 -0.00011 -0.00022 53 2S 0.00011 -0.00011 0.00012 -0.00041 -0.00085 54 2PX 0.00001 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 -0.00003 -0.00010 57 3S -0.00090 0.00071 -0.00079 0.00148 0.00369 58 3PX -0.00004 -0.00012 -0.00019 0.00090 0.00076 59 3PY 0.00042 -0.00025 0.00067 -0.00037 -0.00137 60 3PZ -0.00007 -0.00022 -0.00037 0.00000 -0.00002 61 4XX -0.00001 0.00002 0.00004 -0.00005 -0.00013 62 4YY 0.00001 -0.00001 0.00004 -0.00020 -0.00028 63 4ZZ 0.00001 -0.00001 0.00003 -0.00013 -0.00020 64 4XY 0.00000 0.00002 0.00002 -0.00007 -0.00010 65 4XZ -0.00001 0.00001 -0.00003 -0.00009 -0.00012 66 4YZ 0.00001 0.00001 0.00002 0.00003 0.00005 67 8 H 1S 0.00000 -0.00001 -0.00002 -0.00006 -0.00005 68 2S -0.00009 0.00005 -0.00025 -0.00007 0.00001 69 9 C 1S 0.00000 -0.00001 -0.00002 -0.00010 0.00014 70 2S 0.00001 -0.00006 -0.00005 -0.00012 0.00029 71 2PX 0.00003 -0.00001 -0.00006 -0.00013 0.00015 72 2PY 0.00001 -0.00001 -0.00004 -0.00004 -0.00001 73 2PZ -0.00003 -0.00002 0.00000 0.00020 -0.00027 74 3S -0.00028 0.00041 0.00051 -0.00023 -0.00029 75 3PX 0.00007 0.00010 0.00002 0.00054 -0.00141 76 3PY -0.00020 -0.00003 -0.00001 0.00019 -0.00084 77 3PZ 0.00046 -0.00003 -0.00041 -0.00027 0.00056 78 4XX 0.00003 -0.00001 -0.00003 -0.00006 0.00011 79 4YY 0.00000 -0.00001 -0.00002 -0.00010 0.00010 80 4ZZ -0.00001 -0.00002 0.00002 -0.00011 0.00016 81 4XY 0.00000 0.00000 -0.00002 -0.00001 -0.00005 82 4XZ -0.00003 -0.00001 0.00003 0.00001 -0.00003 83 4YZ 0.00001 0.00000 0.00001 0.00004 0.00003 84 10 H 1S -0.00003 -0.00001 0.00001 0.00005 -0.00013 85 2S -0.00012 0.00000 0.00012 0.00049 -0.00082 86 11 H 1S 0.00010 0.00002 -0.00007 -0.00004 0.00018 87 2S -0.00038 -0.00024 0.00010 -0.00027 0.00023 88 12 C 1S -0.00001 -0.00001 -0.00002 -0.00010 -0.00014 89 2S -0.00004 -0.00004 -0.00005 -0.00012 -0.00029 90 2PX -0.00003 0.00001 -0.00006 -0.00013 -0.00015 91 2PY 0.00001 0.00001 0.00004 0.00004 -0.00001 92 2PZ 0.00002 -0.00003 0.00000 0.00020 0.00028 93 3S 0.00044 0.00023 0.00051 -0.00023 0.00028 94 3PX -0.00001 0.00012 0.00002 0.00054 0.00141 95 3PY -0.00016 0.00012 0.00001 -0.00019 -0.00084 96 3PZ -0.00042 0.00019 -0.00041 -0.00027 -0.00056 97 4XX -0.00003 0.00000 -0.00003 -0.00006 -0.00011 98 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 99 4ZZ 0.00000 -0.00003 0.00002 -0.00011 -0.00016 100 4XY 0.00000 0.00000 0.00002 0.00001 -0.00005 101 4XZ 0.00002 -0.00002 0.00003 0.00001 0.00003 102 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 103 13 H 1S 0.00002 -0.00003 0.00001 0.00005 0.00013 104 2S 0.00011 -0.00006 0.00012 0.00049 0.00082 105 14 H 1S -0.00008 0.00006 -0.00007 -0.00004 -0.00018 106 2S 0.00022 -0.00039 0.00010 -0.00027 -0.00023 107 15 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 108 2S 0.00008 0.00034 0.04864 -0.00058 0.00000 109 2PX -0.00004 -0.00016 -0.00077 -0.00008 0.00000 110 2PY -0.00041 0.00010 0.00000 0.00000 -0.00008 111 2PZ -0.00005 -0.00020 -0.00066 -0.00010 0.00000 112 3S -0.00069 -0.00277 -0.01350 0.00274 0.00000 113 3PX 0.00010 0.00041 0.00060 -0.00136 0.00000 114 3PY 0.00110 -0.00027 0.00000 0.00000 -0.00025 115 3PZ 0.00014 0.00056 -0.00001 -0.00099 0.00000 116 4XX 0.00002 0.00008 -0.00875 0.00007 0.00000 117 4YY 0.00009 0.00038 -0.00875 0.00003 0.00000 118 4ZZ 0.00002 0.00010 -0.00878 0.00002 0.00000 119 4XY 0.00013 -0.00003 0.00000 0.00000 -0.00002 120 4XZ 0.00002 0.00009 0.00006 0.00025 0.00000 121 4YZ 0.00016 -0.00004 0.00000 0.00000 -0.00003 122 16 C 1S 0.00001 0.00000 -0.00012 0.70225 -0.70215 123 2S 0.00023 0.00021 -0.00038 0.03461 -0.03559 124 2PX 0.00025 0.00010 0.00006 0.00041 -0.00036 125 2PY -0.00012 -0.00010 -0.00014 -0.00024 -0.00010 126 2PZ 0.00019 0.00008 0.00002 0.00060 -0.00067 127 3S -0.00206 -0.00092 0.00089 -0.00716 0.01899 128 3PX -0.00109 -0.00020 0.00066 0.00005 0.00024 129 3PY 0.00052 0.00038 0.00057 0.00047 0.00480 130 3PZ -0.00096 -0.00008 0.00080 -0.00080 0.00264 131 4XX 0.00012 0.00003 0.00007 -0.00639 0.00611 132 4YY 0.00014 -0.00004 -0.00003 -0.00645 0.00589 133 4ZZ 0.00007 0.00000 -0.00003 -0.00635 0.00604 134 4XY -0.00005 -0.00006 0.00004 -0.00009 -0.00002 135 4XZ 0.00007 0.00002 0.00018 0.00019 -0.00019 136 4YZ -0.00004 -0.00006 0.00000 0.00007 -0.00001 137 17 C 1S -0.00001 0.00001 -0.00012 0.70181 0.70259 138 2S -0.00011 0.00029 -0.00038 0.03459 0.03562 139 2PX -0.00017 0.00020 0.00006 0.00041 0.00036 140 2PY -0.00006 0.00014 0.00014 0.00024 -0.00010 141 2PZ -0.00013 0.00016 0.00002 0.00060 0.00067 142 3S 0.00139 -0.00178 0.00089 -0.00715 -0.01899 143 3PX 0.00087 -0.00068 0.00066 0.00005 -0.00024 144 3PY 0.00028 -0.00058 -0.00057 -0.00047 0.00480 145 3PZ 0.00081 -0.00052 0.00080 -0.00080 -0.00264 146 4XX -0.00009 0.00008 0.00007 -0.00639 -0.00611 147 4YY -0.00014 0.00003 -0.00003 -0.00645 -0.00590 148 4ZZ -0.00006 0.00003 -0.00003 -0.00634 -0.00605 149 4XY -0.00002 0.00008 -0.00004 0.00009 -0.00002 150 4XZ -0.00005 0.00005 0.00018 0.00019 0.00019 151 4YZ -0.00001 0.00007 0.00000 -0.00007 -0.00001 152 18 H 1S 0.00004 0.00017 -0.00018 -0.00007 0.00000 153 2S 0.00003 0.00013 0.00240 0.00015 0.00000 154 19 H 1S 0.00006 0.00010 0.00006 -0.00026 0.00012 155 2S -0.00003 0.00012 0.00039 0.00139 -0.00070 156 20 H 1S -0.00001 0.00012 0.00006 -0.00026 -0.00012 157 2S 0.00008 0.00009 0.00039 0.00139 0.00070 158 21 H 1S 0.00003 0.00011 -0.00007 -0.00013 0.00000 159 2S 0.00004 0.00016 0.00276 -0.00005 0.00000 160 22 O 1S -0.51156 0.85075 -0.00007 -0.00003 -0.00014 161 2S -0.01321 0.02209 0.00001 0.00009 -0.00035 162 2PX 0.00014 -0.00022 -0.00009 0.00008 0.00006 163 2PY 0.00047 -0.00074 0.00000 -0.00004 0.00003 164 2PZ 0.00007 -0.00007 -0.00006 0.00006 0.00002 165 3S -0.00697 0.01121 0.00114 0.00000 0.00351 166 3PX 0.00027 -0.00025 0.00053 -0.00028 -0.00045 167 3PY 0.00011 -0.00037 0.00039 0.00072 -0.00031 168 3PZ 0.00008 -0.00013 0.00039 -0.00014 0.00008 169 4XX 0.00426 -0.00703 -0.00010 -0.00015 -0.00038 170 4YY 0.00424 -0.00714 -0.00050 -0.00004 -0.00038 171 4ZZ 0.00426 -0.00704 -0.00002 -0.00008 -0.00034 172 4XY -0.00001 0.00001 0.00016 -0.00009 -0.00017 173 4XZ 0.00000 -0.00005 -0.00020 -0.00032 -0.00037 174 4YZ -0.00001 0.00002 0.00020 -0.00004 -0.00013 175 23 O 1S 0.85074 0.51157 -0.00007 -0.00003 0.00014 176 2S 0.02202 0.01332 0.00001 0.00009 0.00035 177 2PX -0.00022 -0.00013 -0.00009 0.00008 -0.00006 178 2PY 0.00077 0.00044 0.00000 0.00004 0.00003 179 2PZ -0.00009 -0.00003 -0.00006 0.00006 -0.00002 180 3S 0.01141 0.00664 0.00114 0.00000 -0.00351 181 3PX -0.00036 -0.00009 0.00053 -0.00028 0.00045 182 3PY 0.00028 0.00028 -0.00039 -0.00072 -0.00031 183 3PZ -0.00013 -0.00008 0.00039 -0.00014 -0.00008 184 4XX -0.00706 -0.00422 -0.00010 -0.00015 0.00038 185 4YY -0.00709 -0.00431 -0.00050 -0.00004 0.00038 186 4ZZ -0.00706 -0.00422 -0.00002 -0.00008 0.00034 187 4XY -0.00001 0.00000 -0.00016 0.00009 -0.00017 188 4XZ -0.00002 -0.00004 -0.00020 -0.00032 0.00037 189 4YZ -0.00002 -0.00001 -0.00020 0.00004 -0.00013 6 7 8 9 10 O O O O O Eigenvalues -- -10.18643 -10.18641 -10.18036 -10.18019 -10.16936 1 1 C 1S -0.68596 0.71780 -0.01398 0.01381 -0.01236 2 2S -0.03568 0.03597 -0.00083 0.00073 -0.00083 3 2PX -0.00031 0.00012 -0.00001 -0.00004 0.00019 4 2PY -0.00052 0.00012 -0.00005 -0.00002 -0.00009 5 2PZ -0.00005 -0.00001 -0.00012 -0.00008 0.00010 6 3S 0.02179 -0.01304 0.00286 -0.00391 0.00251 7 3PX -0.00039 -0.00018 0.00061 -0.00047 -0.00092 8 3PY 0.00663 -0.00127 0.00038 -0.00097 0.00061 9 3PZ 0.00040 -0.00006 0.00168 -0.00178 -0.00083 10 4XX 0.00581 -0.00654 -0.00001 -0.00007 -0.00002 11 4YY 0.00571 -0.00634 0.00008 -0.00004 0.00009 12 4ZZ 0.00586 -0.00647 -0.00013 0.00010 0.00000 13 4XY 0.00004 -0.00010 -0.00003 0.00007 0.00003 14 4XZ -0.00004 0.00016 -0.00004 0.00002 -0.00008 15 4YZ 0.00003 -0.00004 -0.00006 0.00003 0.00001 16 2 H 1S 0.00020 -0.00012 -0.00011 0.00006 -0.00004 17 2S -0.00021 0.00169 -0.00002 0.00006 0.00009 18 3 C 1S -0.01148 0.01236 -0.00068 0.00056 0.70240 19 2S -0.00008 0.00020 -0.00022 0.00022 0.03488 20 2PX -0.00001 -0.00013 -0.00005 0.00008 0.00024 21 2PY -0.00014 0.00007 -0.00007 -0.00004 -0.00014 22 2PZ 0.00012 -0.00016 -0.00011 0.00007 -0.00002 23 3S -0.01066 0.00350 0.00052 -0.00042 -0.00764 24 3PX -0.00399 0.00127 0.00034 -0.00050 -0.00092 25 3PY -0.00108 -0.00040 -0.00003 0.00006 0.00067 26 3PZ -0.00428 0.00119 0.00032 -0.00030 -0.00042 27 4XX 0.00021 -0.00023 -0.00007 0.00004 -0.00672 28 4YY 0.00030 -0.00022 -0.00002 0.00003 -0.00677 29 4ZZ 0.00024 -0.00027 -0.00004 0.00003 -0.00665 30 4XY -0.00010 0.00013 -0.00007 0.00002 0.00000 31 4XZ 0.00004 -0.00003 0.00005 -0.00004 0.00011 32 4YZ -0.00009 0.00009 0.00000 -0.00005 0.00001 33 4 H 1S -0.00007 -0.00007 0.00001 -0.00001 -0.00031 34 2S -0.00113 0.00033 0.00026 -0.00024 0.00135 35 5 C 1S 0.01203 0.01182 -0.00068 -0.00056 0.70120 36 2S 0.00009 0.00019 -0.00022 -0.00022 0.03482 37 2PX 0.00000 -0.00013 -0.00005 -0.00008 0.00024 38 2PY -0.00015 -0.00006 0.00007 -0.00004 0.00014 39 2PZ -0.00013 -0.00016 -0.00011 -0.00007 -0.00002 40 3S 0.01081 0.00301 0.00052 0.00042 -0.00761 41 3PX 0.00404 0.00109 0.00034 0.00050 -0.00092 42 3PY -0.00106 0.00045 0.00003 0.00006 -0.00067 43 3PZ 0.00433 0.00100 0.00032 0.00030 -0.00042 44 4XX -0.00022 -0.00022 -0.00007 -0.00004 -0.00671 45 4YY -0.00031 -0.00021 -0.00002 -0.00003 -0.00676 46 4ZZ -0.00025 -0.00026 -0.00004 -0.00003 -0.00664 47 4XY -0.00010 -0.00012 0.00007 0.00002 0.00000 48 4XZ -0.00004 -0.00003 0.00005 0.00004 0.00011 49 4YZ -0.00009 -0.00009 0.00000 -0.00005 -0.00001 50 6 H 1S 0.00006 -0.00007 0.00001 0.00001 -0.00031 51 2S 0.00114 0.00027 0.00026 0.00024 0.00135 52 7 C 1S 0.71810 0.68564 -0.01397 -0.01381 -0.01234 53 2S 0.03729 0.03430 -0.00083 -0.00073 -0.00083 54 2PX 0.00031 0.00010 -0.00001 0.00004 0.00019 55 2PY -0.00053 -0.00010 0.00005 -0.00002 0.00009 56 2PZ 0.00005 -0.00001 -0.00012 0.00008 0.00010 57 3S -0.02236 -0.01203 0.00286 0.00391 0.00250 58 3PX 0.00038 -0.00020 0.00061 0.00047 -0.00092 59 3PY 0.00668 0.00097 -0.00038 -0.00097 -0.00060 60 3PZ -0.00041 -0.00004 0.00167 0.00178 -0.00083 61 4XX -0.00611 -0.00627 -0.00001 0.00007 -0.00002 62 4YY -0.00600 -0.00607 0.00008 0.00004 0.00009 63 4ZZ -0.00615 -0.00620 -0.00013 -0.00010 0.00000 64 4XY 0.00004 0.00009 0.00003 0.00007 -0.00003 65 4XZ 0.00004 0.00016 -0.00004 -0.00002 -0.00008 66 4YZ 0.00003 0.00003 0.00006 0.00003 -0.00001 67 8 H 1S -0.00021 -0.00011 -0.00011 -0.00006 -0.00004 68 2S 0.00029 0.00168 -0.00002 -0.00006 0.00009 69 9 C 1S -0.01335 0.01414 0.70204 -0.70217 0.00037 70 2S -0.00033 0.00051 0.03530 -0.03602 -0.00015 71 2PX -0.00010 0.00004 0.00001 -0.00002 0.00010 72 2PY -0.00007 0.00001 -0.00003 -0.00003 -0.00004 73 2PZ 0.00022 0.00005 -0.00014 0.00020 0.00004 74 3S -0.00748 0.00295 -0.01068 0.01972 0.00034 75 3PX 0.00212 -0.00043 -0.00002 0.00000 -0.00037 76 3PY -0.00038 -0.00040 0.00120 0.00268 -0.00002 77 3PZ 0.00300 -0.00134 0.00086 -0.00192 -0.00019 78 4XX 0.00015 -0.00024 -0.00628 0.00601 -0.00007 79 4YY 0.00021 -0.00025 -0.00664 0.00597 -0.00005 80 4ZZ 0.00018 -0.00033 -0.00637 0.00611 0.00000 81 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 82 4XZ 0.00007 -0.00006 -0.00003 0.00004 0.00004 83 4YZ 0.00015 -0.00017 -0.00006 -0.00005 0.00002 84 10 H 1S 0.00039 -0.00013 -0.00009 -0.00020 -0.00005 85 2S 0.00014 0.00014 0.00178 -0.00177 -0.00014 86 11 H 1S 0.00012 -0.00010 -0.00010 -0.00031 0.00001 87 2S -0.00059 0.00012 0.00220 -0.00211 0.00030 88 12 C 1S 0.01398 0.01351 0.70193 0.70228 0.00037 89 2S 0.00035 0.00050 0.03529 0.03603 -0.00015 90 2PX 0.00010 0.00003 0.00001 0.00002 0.00010 91 2PY -0.00007 -0.00001 0.00003 -0.00003 0.00004 92 2PZ -0.00022 0.00006 -0.00014 -0.00020 0.00004 93 3S 0.00761 0.00260 -0.01068 -0.01973 0.00034 94 3PX -0.00214 -0.00033 -0.00002 0.00000 -0.00037 95 3PY -0.00036 0.00042 -0.00121 0.00268 0.00002 96 3PZ -0.00306 -0.00121 0.00086 0.00192 -0.00019 97 4XX -0.00016 -0.00023 -0.00627 -0.00601 -0.00007 98 4YY -0.00022 -0.00024 -0.00664 -0.00597 -0.00005 99 4ZZ -0.00020 -0.00032 -0.00637 -0.00611 0.00000 100 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 101 4XZ -0.00007 -0.00006 -0.00003 -0.00004 0.00004 102 4YZ 0.00016 0.00016 0.00006 -0.00005 -0.00002 103 13 H 1S -0.00039 -0.00011 -0.00009 0.00020 -0.00005 104 2S -0.00013 0.00014 0.00178 0.00177 -0.00014 105 14 H 1S -0.00013 -0.00009 -0.00010 0.00031 0.00001 106 2S 0.00060 0.00009 0.00220 0.00211 0.00030 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 108 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 109 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 110 2PY 0.00012 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 112 3S -0.00002 -0.00087 0.00104 0.00000 0.00030 113 3PX 0.00001 0.00065 -0.00041 0.00000 0.00000 114 3PY -0.00024 0.00001 0.00000 -0.00026 0.00000 115 3PZ 0.00000 -0.00019 0.00032 0.00000 -0.00006 116 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 117 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 118 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 119 4XY -0.00005 0.00000 0.00000 0.00003 0.00000 120 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 121 4YZ 0.00004 0.00000 0.00000 0.00002 0.00000 122 16 C 1S 0.00019 -0.00011 0.00002 0.00002 0.00002 123 2S 0.00126 -0.00061 -0.00013 0.00039 -0.00005 124 2PX -0.00020 0.00010 0.00004 -0.00004 0.00015 125 2PY -0.00009 -0.00004 -0.00016 -0.00001 0.00000 126 2PZ 0.00006 -0.00003 -0.00015 0.00021 0.00000 127 3S -0.00918 0.00267 0.00024 -0.00368 -0.00014 128 3PX 0.00090 -0.00054 0.00033 -0.00111 -0.00080 129 3PY -0.00199 -0.00054 0.00049 -0.00201 0.00015 130 3PZ -0.00315 0.00074 0.00081 -0.00242 -0.00039 131 4XX 0.00005 -0.00003 -0.00012 0.00011 -0.00014 132 4YY 0.00025 -0.00017 -0.00008 0.00005 -0.00006 133 4ZZ 0.00023 -0.00016 -0.00008 0.00012 -0.00013 134 4XY 0.00005 0.00007 -0.00002 0.00005 0.00006 135 4XZ 0.00003 -0.00007 0.00005 -0.00009 -0.00008 136 4YZ -0.00004 -0.00006 -0.00006 -0.00004 0.00006 137 17 C 1S -0.00020 -0.00010 0.00002 -0.00002 0.00002 138 2S -0.00129 -0.00055 -0.00013 -0.00039 -0.00005 139 2PX 0.00020 0.00009 0.00004 0.00004 0.00014 140 2PY -0.00009 0.00005 0.00016 -0.00001 0.00000 141 2PZ -0.00006 -0.00003 -0.00015 -0.00021 0.00000 142 3S 0.00929 0.00225 0.00024 0.00368 -0.00014 143 3PX -0.00092 -0.00050 0.00033 0.00111 -0.00080 144 3PY -0.00196 0.00063 -0.00049 -0.00201 -0.00015 145 3PZ 0.00318 0.00059 0.00081 0.00242 -0.00038 146 4XX -0.00005 -0.00003 -0.00012 -0.00011 -0.00014 147 4YY -0.00026 -0.00015 -0.00008 -0.00005 -0.00006 148 4ZZ -0.00024 -0.00015 -0.00008 -0.00012 -0.00013 149 4XY 0.00005 -0.00007 0.00002 0.00005 -0.00006 150 4XZ -0.00003 -0.00007 0.00005 0.00009 -0.00008 151 4YZ -0.00004 0.00006 0.00006 -0.00004 -0.00006 152 18 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 153 2S -0.00001 -0.00026 0.00013 0.00000 -0.00005 154 19 H 1S 0.00022 -0.00015 0.00008 -0.00014 -0.00011 155 2S -0.00040 -0.00027 0.00057 -0.00118 -0.00007 156 20 H 1S -0.00022 -0.00014 0.00008 0.00014 -0.00011 157 2S 0.00039 -0.00029 0.00057 0.00118 -0.00007 158 21 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 159 2S 0.00001 0.00032 -0.00076 0.00000 -0.00006 160 22 O 1S 0.00010 0.00003 0.00006 0.00003 -0.00004 161 2S 0.00051 0.00013 0.00028 0.00016 -0.00019 162 2PX -0.00008 -0.00004 -0.00001 0.00002 0.00000 163 2PY -0.00003 0.00000 -0.00002 0.00003 0.00001 164 2PZ 0.00002 -0.00002 0.00002 -0.00001 0.00003 165 3S -0.00310 -0.00067 -0.00149 -0.00146 0.00102 166 3PX 0.00132 0.00045 0.00023 0.00053 -0.00029 167 3PY 0.00048 -0.00010 0.00044 0.00020 -0.00015 168 3PZ 0.00022 0.00026 -0.00015 0.00022 -0.00032 169 4XX 0.00012 0.00002 0.00016 -0.00001 -0.00008 170 4YY 0.00031 0.00009 0.00011 0.00007 -0.00011 171 4ZZ 0.00036 0.00012 0.00019 0.00006 -0.00009 172 4XY -0.00006 -0.00001 -0.00004 -0.00004 0.00004 173 4XZ -0.00002 -0.00002 0.00000 0.00002 0.00005 174 4YZ 0.00000 0.00001 0.00001 -0.00004 0.00004 175 23 O 1S -0.00010 0.00003 0.00006 -0.00003 -0.00004 176 2S -0.00050 0.00015 0.00028 -0.00016 -0.00019 177 2PX 0.00007 -0.00004 -0.00001 -0.00002 0.00000 178 2PY -0.00003 0.00000 0.00002 0.00003 -0.00001 179 2PZ -0.00002 -0.00002 0.00002 0.00001 0.00003 180 3S 0.00306 -0.00081 -0.00149 0.00146 0.00102 181 3PX -0.00129 0.00051 0.00023 -0.00053 -0.00029 182 3PY 0.00048 0.00008 -0.00044 0.00020 0.00015 183 3PZ -0.00021 0.00027 -0.00015 -0.00022 -0.00032 184 4XX -0.00012 0.00003 0.00016 0.00001 -0.00008 185 4YY -0.00031 0.00011 0.00011 -0.00007 -0.00011 186 4ZZ -0.00035 0.00014 0.00019 -0.00006 -0.00009 187 4XY -0.00006 0.00001 0.00004 -0.00004 -0.00004 188 4XZ 0.00002 -0.00002 0.00000 -0.00002 0.00005 189 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10713 -1.01317 -0.82908 -0.76590 1 1 C 1S 0.01204 -0.00188 0.00246 -0.09139 0.01322 2 2S 0.00074 0.00225 -0.00017 0.17062 -0.02627 3 2PX -0.00009 0.00154 -0.00109 -0.02432 0.01435 4 2PY 0.00010 0.00063 0.00058 0.04654 -0.00801 5 2PZ -0.00002 -0.00023 0.00070 0.00318 -0.01051 6 3S -0.00446 0.00685 -0.02164 0.13187 -0.01330 7 3PX 0.00093 0.00007 -0.00423 -0.00049 0.00160 8 3PY -0.00161 0.00220 -0.01160 0.01393 0.00134 9 3PZ 0.00061 -0.00034 -0.00365 0.00078 -0.00607 10 4XX 0.00009 0.00010 0.00015 -0.00551 0.00153 11 4YY 0.00006 -0.00028 0.00082 0.00086 -0.00027 12 4ZZ 0.00002 -0.00022 0.00068 -0.00068 -0.00068 13 4XY -0.00005 0.00001 -0.00005 -0.00343 0.00112 14 4XZ 0.00016 0.00007 -0.00012 0.00599 -0.00192 15 4YZ -0.00006 -0.00001 -0.00009 0.00074 -0.00092 16 2 H 1S -0.00001 0.00044 -0.00093 0.03736 -0.00455 17 2S -0.00012 0.00104 -0.00364 0.00635 0.00024 18 3 C 1S -0.70149 -0.00034 -0.00002 -0.09538 0.01854 19 2S -0.03555 0.00232 -0.00271 0.18220 -0.03476 20 2PX -0.00026 0.00108 -0.00075 0.03994 -0.00118 21 2PY -0.00029 0.00042 0.00050 0.02998 -0.00676 22 2PZ -0.00005 0.00015 -0.00009 0.03308 -0.00784 23 3S 0.01697 -0.00444 0.02195 0.11187 -0.03010 24 3PX 0.00240 -0.00292 0.00854 0.00063 -0.00202 25 3PY 0.00338 -0.00016 0.01026 0.00183 -0.00013 26 3PZ 0.00172 -0.00115 0.00564 -0.00174 -0.00222 27 4XX 0.00646 0.00025 -0.00018 -0.00440 0.00179 28 4YY 0.00610 0.00030 -0.00009 0.00298 -0.00056 29 4ZZ 0.00637 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 0.00005 0.00006 0.00046 -0.00014 33 4 H 1S 0.00025 0.00012 0.00004 0.03708 -0.00830 34 2S -0.00075 -0.00043 0.00320 0.00181 -0.00145 35 5 C 1S 0.70269 -0.00034 0.00002 -0.09538 0.01854 36 2S 0.03561 0.00232 0.00271 0.18220 -0.03476 37 2PX 0.00026 0.00108 0.00075 0.03994 -0.00117 38 2PY -0.00029 -0.00042 0.00050 -0.02998 0.00676 39 2PZ 0.00005 0.00015 0.00009 0.03308 -0.00784 40 3S -0.01698 -0.00444 -0.02195 0.11187 -0.03009 41 3PX -0.00240 -0.00292 -0.00854 0.00063 -0.00202 42 3PY 0.00338 0.00016 0.01026 -0.00183 0.00013 43 3PZ -0.00172 -0.00115 -0.00564 -0.00174 -0.00222 44 4XX -0.00647 0.00025 0.00018 -0.00440 0.00179 45 4YY -0.00611 0.00030 0.00009 0.00298 -0.00056 46 4ZZ -0.00638 0.00041 0.00045 -0.00337 0.00066 47 4XY 0.00012 -0.00008 0.00026 0.00028 -0.00023 48 4XZ 0.00014 -0.00007 -0.00015 0.00711 -0.00167 49 4YZ 0.00004 -0.00005 0.00006 -0.00046 0.00014 50 6 H 1S -0.00025 0.00012 -0.00004 0.03708 -0.00830 51 2S 0.00075 -0.00043 -0.00320 0.00181 -0.00145 52 7 C 1S -0.01206 -0.00188 -0.00246 -0.09139 0.01322 53 2S -0.00074 0.00225 0.00017 0.17062 -0.02626 54 2PX 0.00009 0.00154 0.00109 -0.02432 0.01435 55 2PY 0.00010 -0.00063 0.00058 -0.04654 0.00801 56 2PZ 0.00002 -0.00023 -0.00070 0.00318 -0.01051 57 3S 0.00446 0.00685 0.02164 0.13187 -0.01329 58 3PX -0.00093 0.00007 0.00423 -0.00050 0.00160 59 3PY -0.00161 -0.00220 -0.01160 -0.01393 -0.00134 60 3PZ -0.00061 -0.00034 0.00365 0.00078 -0.00607 61 4XX -0.00009 0.00010 -0.00015 -0.00551 0.00153 62 4YY -0.00006 -0.00028 -0.00082 0.00086 -0.00027 63 4ZZ -0.00002 -0.00022 -0.00068 -0.00068 -0.00068 64 4XY -0.00005 -0.00001 -0.00005 0.00343 -0.00112 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 0.03736 -0.00454 68 2S 0.00012 0.00104 0.00364 0.00635 0.00024 69 9 C 1S -0.00026 -0.00166 0.00115 -0.08158 0.02466 70 2S 0.00014 0.00239 -0.00198 0.15286 -0.04712 71 2PX -0.00007 0.00108 -0.00111 -0.01408 0.00546 72 2PY -0.00003 -0.00017 0.00083 0.01819 -0.00662 73 2PZ -0.00009 -0.00087 0.00018 -0.03442 0.00014 74 3S 0.00017 -0.00019 0.00794 0.11365 -0.03489 75 3PX 0.00035 0.00161 -0.00280 -0.00242 0.00123 76 3PY -0.00006 0.00162 -0.00171 0.00282 -0.00327 77 3PZ 0.00004 -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 0.00107 0.00072 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 -0.01538 85 2S 0.00007 0.00121 -0.00136 0.00320 -0.00367 86 11 H 1S -0.00002 0.00209 -0.00253 0.03706 -0.01329 87 2S -0.00032 0.00186 -0.00187 0.00201 -0.00618 88 12 C 1S 0.00027 -0.00166 -0.00115 -0.08158 0.02466 89 2S -0.00014 0.00239 0.00198 0.15286 -0.04711 90 2PX 0.00007 0.00108 0.00111 -0.01408 0.00546 91 2PY -0.00003 0.00017 0.00083 -0.01819 0.00662 92 2PZ 0.00009 -0.00087 -0.00018 -0.03442 0.00014 93 3S -0.00017 -0.00019 -0.00794 0.11365 -0.03489 94 3PX -0.00035 0.00161 0.00280 -0.00242 0.00123 95 3PY -0.00006 -0.00162 -0.00171 -0.00282 0.00327 96 3PZ -0.00004 -0.00105 0.00241 -0.00208 0.00027 97 4XX -0.00005 0.00007 0.00018 -0.00224 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 -0.00012 103 13 H 1S -0.00005 0.00050 0.00061 0.03922 -0.01538 104 2S -0.00007 0.00121 0.00136 0.00320 -0.00367 105 14 H 1S 0.00002 0.00209 0.00253 0.03706 -0.01329 106 2S 0.00032 0.00186 0.00187 0.00201 -0.00618 107 15 C 1S 0.00000 -0.08318 0.00000 0.01835 0.11737 108 2S 0.00000 0.16013 0.00000 -0.03864 -0.24499 109 2PX 0.00000 -0.06130 0.00000 0.00172 -0.01011 110 2PY -0.00002 0.00000 0.12745 0.00000 0.00000 111 2PZ 0.00000 -0.05989 0.00000 0.00671 -0.00419 112 3S 0.00000 0.02856 0.00000 -0.02225 -0.17825 113 3PX 0.00000 0.00867 0.00000 -0.00494 -0.00892 114 3PY 0.00011 0.00000 0.00620 0.00000 0.00000 115 3PZ 0.00000 0.01225 0.00000 -0.00136 -0.00931 116 4XX 0.00000 -0.00115 0.00000 0.00107 0.00503 117 4YY 0.00000 0.00726 0.00000 -0.00128 -0.00324 118 4ZZ 0.00000 -0.00225 0.00000 0.00059 0.00458 119 4XY 0.00000 0.00000 -0.01755 0.00000 0.00000 120 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 121 4YZ -0.00001 0.00000 -0.01776 0.00000 0.00000 122 16 C 1S -0.00001 -0.05622 0.04408 -0.02571 -0.12240 123 2S -0.00003 0.10427 -0.08664 0.05207 0.24580 124 2PX -0.00007 0.05979 -0.06053 -0.01488 0.02203 125 2PY -0.00003 0.00911 0.04361 0.01419 0.06651 126 2PZ -0.00003 0.04382 -0.04454 0.00150 -0.00992 127 3S 0.00084 0.03496 0.00910 0.03217 0.17211 128 3PX 0.00159 -0.00366 0.01821 -0.00320 -0.00226 129 3PY 0.00011 -0.00021 0.01692 0.00195 0.01028 130 3PZ 0.00139 -0.00409 0.02569 -0.00107 -0.00591 131 4XX 0.00012 0.00382 -0.00644 -0.00140 -0.00970 132 4YY 0.00005 -0.00146 0.00861 0.00137 0.00604 133 4ZZ 0.00006 -0.00073 -0.00180 -0.00082 -0.00696 134 4XY 0.00002 -0.00226 0.00613 -0.00011 -0.00065 135 4XZ 0.00007 0.01131 -0.01155 -0.00055 0.00474 136 4YZ -0.00005 -0.00084 0.00358 0.00100 0.00231 137 17 C 1S 0.00001 -0.05622 -0.04408 -0.02571 -0.12240 138 2S 0.00003 0.10427 0.08664 0.05207 0.24580 139 2PX 0.00007 0.05979 0.06053 -0.01488 0.02204 140 2PY -0.00003 -0.00911 0.04361 -0.01419 -0.06651 141 2PZ 0.00003 0.04382 0.04454 0.00150 -0.00993 142 3S -0.00084 0.03496 -0.00910 0.03217 0.17211 143 3PX -0.00159 -0.00366 -0.01821 -0.00320 -0.00226 144 3PY 0.00011 0.00021 0.01692 -0.00195 -0.01028 145 3PZ -0.00139 -0.00408 -0.02569 -0.00107 -0.00591 146 4XX -0.00012 0.00382 0.00644 -0.00140 -0.00970 147 4YY -0.00005 -0.00146 -0.00861 0.00137 0.00604 148 4ZZ -0.00006 -0.00073 0.00180 -0.00082 -0.00696 149 4XY 0.00002 0.00226 0.00613 0.00011 0.00065 150 4XZ -0.00007 0.01131 0.01155 -0.00055 0.00474 151 4YZ -0.00005 0.00084 0.00358 -0.00100 -0.00231 152 18 H 1S 0.00000 0.02455 0.00000 -0.01042 -0.07732 153 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 154 19 H 1S 0.00023 0.01252 -0.01447 0.01509 0.06814 155 2S 0.00031 -0.00346 0.00848 0.00255 0.01258 156 20 H 1S -0.00023 0.01252 0.01447 0.01509 0.06814 157 2S -0.00031 -0.00346 -0.00848 0.00255 0.01258 158 21 H 1S 0.00000 0.02534 0.00000 -0.00826 -0.07518 159 2S 0.00000 -0.00229 0.00000 0.00195 -0.01514 160 22 O 1S -0.00006 -0.13125 -0.15242 0.00883 0.01419 161 2S -0.00030 0.28412 0.33479 -0.02049 -0.03361 162 2PX 0.00002 -0.02240 -0.03038 -0.02009 -0.12267 163 2PY 0.00000 -0.08688 -0.06083 0.00854 0.03559 164 2PZ 0.00003 -0.00836 -0.01428 -0.01174 -0.10839 165 3S 0.00184 0.28834 0.35800 -0.02274 -0.03741 166 3PX -0.00052 -0.00923 -0.02341 -0.00987 -0.05543 167 3PY -0.00020 -0.05298 -0.03672 0.00479 0.01554 168 3PZ -0.00040 -0.00215 -0.01099 -0.00502 -0.04935 169 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 170 4YY -0.00019 0.00722 -0.00050 -0.00136 -0.00583 171 4ZZ -0.00016 -0.00460 -0.00387 0.00018 0.00101 172 4XY 0.00004 0.00045 0.00197 0.00195 0.01123 173 4XZ 0.00005 0.00716 0.00772 0.00022 0.00388 174 4YZ 0.00003 -0.00191 -0.00020 0.00132 0.01023 175 23 O 1S 0.00006 -0.13125 0.15242 0.00883 0.01419 176 2S 0.00030 0.28413 -0.33479 -0.02049 -0.03361 177 2PX -0.00002 -0.02240 0.03038 -0.02009 -0.12267 178 2PY 0.00000 0.08689 -0.06083 -0.00854 -0.03558 179 2PZ -0.00003 -0.00836 0.01428 -0.01174 -0.10840 180 3S -0.00183 0.28835 -0.35800 -0.02274 -0.03741 181 3PX 0.00052 -0.00923 0.02341 -0.00987 -0.05543 182 3PY -0.00020 0.05298 -0.03672 -0.00479 -0.01554 183 3PZ 0.00040 -0.00215 0.01099 -0.00502 -0.04935 184 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 185 4YY 0.00019 0.00722 0.00050 -0.00136 -0.00582 186 4ZZ 0.00016 -0.00460 0.00387 0.00018 0.00101 187 4XY 0.00004 -0.00045 0.00197 -0.00195 -0.01123 188 4XZ -0.00005 0.00716 -0.00772 0.00022 0.00388 189 4YZ 0.00003 0.00191 -0.00020 -0.00132 -0.01023 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72867 -0.64377 -0.61451 -0.60398 1 1 C 1S 0.00745 -0.12444 -0.00049 0.00481 0.02265 2 2S -0.01414 0.24080 0.00019 -0.01119 -0.04691 3 2PX 0.05827 -0.02711 0.01393 0.00120 0.09491 4 2PY -0.01150 0.00554 0.00031 -0.00307 -0.00529 5 2PZ 0.09022 0.00673 -0.00710 -0.04284 0.13780 6 3S -0.01428 0.21043 0.00801 -0.00040 -0.04357 7 3PX 0.00996 -0.00285 -0.00009 0.00201 0.02376 8 3PY -0.00625 0.00250 0.00511 0.00312 0.00098 9 3PZ 0.01542 -0.00011 -0.00379 -0.01693 0.03504 10 4XX -0.00218 -0.00700 -0.00029 0.00204 -0.00229 11 4YY -0.00061 -0.00073 0.00012 -0.00009 -0.00081 12 4ZZ 0.00531 -0.00138 -0.00010 -0.00214 0.00682 13 4XY 0.00503 -0.00333 0.00124 -0.00048 0.00396 14 4XZ -0.00164 0.00666 -0.00099 -0.00147 -0.00268 15 4YZ 0.00739 0.00133 -0.00059 -0.00148 0.00523 16 2 H 1S -0.00149 0.07839 0.00120 -0.00006 -0.01615 17 2S -0.00162 0.01907 0.00015 0.00331 -0.00472 18 3 C 1S 0.10571 -0.06442 0.01275 -0.00730 0.08066 19 2S -0.20539 0.12809 -0.02555 0.01535 -0.16377 20 2PX -0.00706 0.04458 0.01059 0.00458 -0.02124 21 2PY -0.05186 -0.07806 -0.00821 -0.00965 0.10415 22 2PZ 0.01101 0.03743 -0.00021 -0.00673 0.00048 23 3S -0.15236 0.07288 -0.02505 0.00483 -0.12773 24 3PX 0.00248 -0.00658 0.00269 -0.00316 0.00806 25 3PY -0.00493 -0.02228 -0.00068 -0.00247 0.03748 26 3PZ 0.00882 -0.01008 -0.00274 -0.00497 0.01708 27 4XX 0.00670 0.00004 0.00186 0.00029 0.00146 28 4YY -0.00490 -0.00641 -0.00089 -0.00069 0.00748 29 4ZZ 0.00601 0.00096 0.00004 -0.00053 0.00056 30 4XY -0.00085 -0.00408 0.00012 -0.00034 0.00109 31 4XZ -0.00472 0.00713 -0.00107 0.00002 -0.00613 32 4YZ -0.00176 -0.00269 -0.00031 0.00080 -0.00192 33 4 H 1S -0.06123 0.03836 -0.01006 0.00878 -0.08124 34 2S -0.01269 0.00262 -0.00390 0.00345 -0.02734 35 5 C 1S 0.10571 0.06442 0.01275 0.00730 -0.08066 36 2S -0.20538 -0.12809 -0.02555 -0.01535 0.16378 37 2PX -0.00705 -0.04458 0.01059 -0.00458 0.02124 38 2PY 0.05186 -0.07806 0.00821 -0.00966 0.10415 39 2PZ 0.01101 -0.03743 -0.00021 0.00673 -0.00048 40 3S -0.15236 -0.07288 -0.02505 -0.00483 0.12774 41 3PX 0.00248 0.00658 0.00269 0.00316 -0.00806 42 3PY 0.00493 -0.02228 0.00068 -0.00247 0.03748 43 3PZ 0.00882 0.01008 -0.00274 0.00497 -0.01708 44 4XX 0.00670 -0.00004 0.00186 -0.00029 -0.00146 45 4YY -0.00490 0.00641 -0.00089 0.00069 -0.00748 46 4ZZ 0.00601 -0.00096 0.00004 0.00053 -0.00056 47 4XY 0.00085 -0.00408 -0.00012 -0.00034 0.00109 48 4XZ -0.00472 -0.00713 -0.00107 -0.00002 0.00613 49 4YZ 0.00176 -0.00269 0.00031 0.00080 -0.00192 50 6 H 1S -0.06123 -0.03836 -0.01006 -0.00878 0.08124 51 2S -0.01269 -0.00262 -0.00390 -0.00345 0.02735 52 7 C 1S 0.00745 0.12444 -0.00049 -0.00481 -0.02264 53 2S -0.01414 -0.24080 0.00019 0.01119 0.04691 54 2PX 0.05827 0.02711 0.01393 -0.00121 -0.09491 55 2PY 0.01149 0.00554 -0.00032 -0.00307 -0.00528 56 2PZ 0.09022 -0.00673 -0.00710 0.04284 -0.13780 57 3S -0.01427 -0.21043 0.00801 0.00040 0.04357 58 3PX 0.00996 0.00285 -0.00010 -0.00201 -0.02376 59 3PY 0.00625 0.00250 -0.00512 0.00312 0.00098 60 3PZ 0.01542 0.00011 -0.00379 0.01693 -0.03504 61 4XX -0.00218 0.00700 -0.00029 -0.00204 0.00229 62 4YY -0.00061 0.00073 0.00012 0.00009 0.00081 63 4ZZ 0.00531 0.00138 -0.00010 0.00214 -0.00682 64 4XY -0.00503 -0.00333 -0.00124 -0.00048 0.00396 65 4XZ -0.00164 -0.00666 -0.00099 0.00147 0.00268 66 4YZ -0.00739 0.00133 0.00059 -0.00148 0.00523 67 8 H 1S -0.00149 -0.07839 0.00120 0.00006 0.01615 68 2S -0.00162 -0.01907 0.00015 -0.00331 0.00472 69 9 C 1S -0.11130 -0.06711 0.00648 0.03436 -0.09317 70 2S 0.21419 0.13010 -0.01232 -0.06901 0.18928 71 2PX 0.00843 -0.01551 0.00762 0.00345 0.01268 72 2PY 0.03641 -0.06529 -0.00104 0.03480 -0.09506 73 2PZ 0.01722 -0.04148 -0.00619 -0.00551 0.02002 74 3S 0.18756 0.10778 -0.01226 -0.06577 0.17952 75 3PX 0.00518 -0.00525 0.00450 -0.00040 0.00931 76 3PY 0.00547 -0.01784 0.00001 0.00862 -0.03889 77 3PZ 0.00639 -0.00270 -0.00014 -0.00280 0.01637 78 4XX -0.00074 0.00076 0.00011 -0.00151 0.00477 79 4YY 0.00374 -0.00741 -0.00015 0.00369 -0.01016 80 4ZZ -0.00473 0.00513 0.00047 -0.00010 -0.00048 81 4XY -0.00066 0.00119 0.00021 -0.00017 -0.00150 82 4XZ -0.00196 0.00236 -0.00017 0.00002 -0.00246 83 4YZ -0.00143 0.00345 -0.00009 0.00087 -0.00255 84 10 H 1S 0.06842 0.04374 -0.00806 -0.03309 0.08666 85 2S 0.01612 0.00723 -0.00284 -0.01303 0.03159 86 11 H 1S 0.07058 0.04275 -0.00106 -0.03081 0.09333 87 2S 0.01291 0.00874 -0.00181 -0.01475 0.03178 88 12 C 1S -0.11130 0.06711 0.00648 -0.03436 0.09317 89 2S 0.21419 -0.13009 -0.01232 0.06902 -0.18928 90 2PX 0.00843 0.01551 0.00762 -0.00345 -0.01268 91 2PY -0.03641 -0.06530 0.00104 0.03480 -0.09506 92 2PZ 0.01722 0.04148 -0.00619 0.00551 -0.02003 93 3S 0.18756 -0.10778 -0.01226 0.06578 -0.17952 94 3PX 0.00518 0.00525 0.00450 0.00040 -0.00931 95 3PY -0.00547 -0.01784 -0.00001 0.00862 -0.03889 96 3PZ 0.00639 0.00270 -0.00014 0.00280 -0.01637 97 4XX -0.00074 -0.00076 0.00011 0.00151 -0.00477 98 4YY 0.00374 0.00741 -0.00015 -0.00369 0.01016 99 4ZZ -0.00473 -0.00513 0.00047 0.00010 0.00048 100 4XY 0.00066 0.00119 -0.00021 -0.00017 -0.00150 101 4XZ -0.00196 -0.00236 -0.00017 -0.00002 0.00246 102 4YZ 0.00143 0.00345 0.00009 0.00087 -0.00254 103 13 H 1S 0.06842 -0.04374 -0.00806 0.03309 -0.08666 104 2S 0.01612 -0.00723 -0.00284 0.01303 -0.03159 105 14 H 1S 0.07058 -0.04275 -0.00107 0.03082 -0.09333 106 2S 0.01291 -0.00874 -0.00181 0.01475 -0.03178 107 15 C 1S 0.00913 0.00000 -0.12226 0.00000 0.00000 108 2S -0.01981 0.00000 0.25810 0.00001 0.00000 109 2PX -0.00441 0.00000 0.06486 0.00000 0.00000 110 2PY 0.00000 0.01881 -0.00001 0.21586 0.06319 111 2PZ 0.00606 0.00000 0.06774 0.00001 0.00000 112 3S -0.01504 0.00000 0.24384 0.00001 0.00000 113 3PX -0.00668 0.00000 0.02135 0.00000 0.00000 114 3PY 0.00000 0.00189 0.00000 0.05677 0.01523 115 3PZ -0.00182 0.00000 0.02826 0.00000 0.00000 116 4XX 0.00069 0.00000 0.00235 0.00000 0.00000 117 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 118 4ZZ 0.00029 0.00000 0.00147 0.00000 0.00000 119 4XY 0.00000 -0.00129 0.00000 -0.01288 -0.00324 120 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 121 4YZ 0.00000 -0.00186 0.00000 -0.01404 -0.00448 122 16 C 1S -0.00474 -0.01207 -0.07241 -0.09541 -0.02254 123 2S 0.00927 0.02324 0.14728 0.19676 0.04508 124 2PX 0.00303 -0.01227 -0.08529 0.03097 0.01199 125 2PY 0.00303 -0.01516 0.15593 -0.13077 -0.03067 126 2PZ 0.00727 0.00044 -0.08061 -0.01989 0.00233 127 3S 0.00866 0.02695 0.12859 0.18873 0.05492 128 3PX 0.00050 -0.00446 -0.02246 -0.00191 0.00808 129 3PY -0.00014 0.00038 0.02896 -0.02718 -0.00270 130 3PZ 0.00264 0.00237 -0.01968 -0.01220 0.00726 131 4XX -0.00120 -0.00037 -0.01419 -0.00289 -0.00136 132 4YY 0.00015 -0.00102 0.00714 -0.00733 -0.00180 133 4ZZ 0.00048 -0.00010 -0.00463 0.00003 0.00050 134 4XY -0.00019 0.00103 0.00809 -0.00478 -0.00178 135 4XZ -0.00033 -0.00044 -0.00622 0.00762 0.00190 136 4YZ 0.00006 0.00039 0.00772 0.00423 0.00014 137 17 C 1S -0.00474 0.01207 -0.07241 0.09540 0.02254 138 2S 0.00927 -0.02323 0.14729 -0.19675 -0.04508 139 2PX 0.00303 0.01227 -0.08529 -0.03098 -0.01199 140 2PY -0.00303 -0.01516 -0.15592 -0.13078 -0.03066 141 2PZ 0.00727 -0.00044 -0.08062 0.01988 -0.00233 142 3S 0.00866 -0.02695 0.12859 -0.18872 -0.05492 143 3PX 0.00050 0.00446 -0.02246 0.00191 -0.00808 144 3PY 0.00014 0.00038 -0.02896 -0.02718 -0.00270 145 3PZ 0.00264 -0.00237 -0.01969 0.01220 -0.00726 146 4XX -0.00120 0.00037 -0.01419 0.00289 0.00136 147 4YY 0.00015 0.00102 0.00714 0.00733 0.00180 148 4ZZ 0.00048 0.00010 -0.00463 -0.00003 -0.00050 149 4XY 0.00019 0.00103 -0.00809 -0.00478 -0.00178 150 4XZ -0.00033 0.00044 -0.00622 -0.00762 -0.00190 151 4YZ -0.00006 0.00039 -0.00772 0.00423 0.00014 152 18 H 1S -0.00772 0.00000 0.11586 0.00000 0.00000 153 2S 0.00021 0.00000 0.03819 0.00000 0.00000 154 19 H 1S -0.00059 0.01420 0.05360 0.11567 0.02289 155 2S -0.00151 0.00614 0.01636 0.04774 0.01078 156 20 H 1S -0.00059 -0.01420 0.05360 -0.11567 -0.02289 157 2S -0.00151 -0.00614 0.01636 -0.04773 -0.01078 158 21 H 1S -0.00192 0.00000 0.11588 0.00000 0.00000 159 2S 0.00653 0.00000 0.03556 0.00000 0.00000 160 22 O 1S 0.00234 -0.00715 0.07106 -0.02548 -0.00813 161 2S -0.00546 0.01658 -0.16573 0.05881 0.01853 162 2PX -0.01378 0.01549 0.07319 0.18529 0.05837 163 2PY 0.00428 -0.00677 -0.08874 -0.05653 -0.01761 164 2PZ -0.00318 0.00676 0.06647 0.16874 0.04089 165 3S -0.00822 0.02076 -0.22091 0.08045 0.03087 166 3PX -0.00676 0.00714 0.02850 0.08560 0.02721 167 3PY 0.00336 -0.00377 -0.04834 -0.02425 -0.00916 168 3PZ -0.00013 0.00252 0.02630 0.07954 0.01600 169 4XX 0.00056 -0.00102 -0.00023 -0.00599 -0.00168 170 4YY -0.00086 0.00046 0.01009 0.00336 0.00116 171 4ZZ 0.00012 -0.00029 0.00085 -0.00284 -0.00068 172 4XY 0.00114 -0.00052 -0.00147 -0.00716 -0.00216 173 4XZ -0.00032 -0.00003 0.00109 -0.00506 -0.00057 174 4YZ 0.00038 -0.00035 -0.00257 -0.00696 -0.00168 175 23 O 1S 0.00234 0.00715 0.07106 0.02548 0.00813 176 2S -0.00546 -0.01658 -0.16573 -0.05882 -0.01853 177 2PX -0.01378 -0.01549 0.07319 -0.18529 -0.05837 178 2PY -0.00428 -0.00677 0.08874 -0.05651 -0.01761 179 2PZ -0.00318 -0.00676 0.06649 -0.16874 -0.04089 180 3S -0.00822 -0.02076 -0.22091 -0.08046 -0.03087 181 3PX -0.00676 -0.00714 0.02851 -0.08560 -0.02721 182 3PY -0.00336 -0.00377 0.04834 -0.02424 -0.00915 183 3PZ -0.00013 -0.00252 0.02631 -0.07954 -0.01600 184 4XX 0.00056 0.00102 -0.00023 0.00599 0.00168 185 4YY -0.00086 -0.00046 0.01009 -0.00336 -0.00116 186 4ZZ 0.00012 0.00029 0.00085 0.00284 0.00068 187 4XY -0.00114 -0.00052 0.00147 -0.00716 -0.00216 188 4XZ -0.00032 0.00003 0.00109 0.00506 0.00057 189 4YZ -0.00038 -0.00035 0.00257 -0.00696 -0.00168 21 22 23 24 25 O O O O O Eigenvalues -- -0.58467 -0.53236 -0.51151 -0.49417 -0.47020 1 1 C 1S -0.10221 0.01243 0.00593 0.00758 -0.06160 2 2S 0.20674 -0.02605 -0.01128 -0.01798 0.12767 3 2PX 0.00355 0.00929 0.04269 -0.01429 0.07387 4 2PY -0.07521 -0.01897 -0.04311 0.19957 -0.11924 5 2PZ -0.00523 -0.00864 -0.02146 0.01120 0.01966 6 3S 0.19341 -0.02642 -0.01502 -0.01838 0.14638 7 3PX 0.00839 0.00957 0.01713 0.00486 0.03067 8 3PY -0.03143 -0.00913 -0.02111 0.08101 -0.04703 9 3PZ -0.00419 -0.00263 -0.00587 0.01019 0.00077 10 4XX -0.00818 0.00096 0.00299 0.00020 -0.00863 11 4YY 0.00404 -0.00063 0.00065 -0.00238 0.01114 12 4ZZ -0.00854 0.00206 0.00006 -0.00181 -0.00992 13 4XY -0.00041 0.00000 0.00187 -0.00216 0.00005 14 4XZ -0.00002 -0.00128 0.00078 -0.00152 -0.00499 15 4YZ 0.00150 0.00002 -0.00103 -0.00081 0.00209 16 2 H 1S 0.11678 0.00022 0.02012 -0.11151 0.13179 17 2S 0.05092 0.00381 0.01350 -0.06812 0.08344 18 3 C 1S 0.05700 -0.00370 -0.00457 0.00525 0.06954 19 2S -0.11519 0.00604 0.00981 -0.00987 -0.14349 20 2PX 0.08937 -0.01931 -0.02770 0.11644 0.06287 21 2PY -0.13461 0.00266 -0.00744 0.12252 0.08211 22 2PZ 0.08849 -0.03280 -0.05980 0.14404 0.07087 23 3S -0.10505 0.01672 0.01738 -0.01926 -0.15380 24 3PX 0.02722 -0.00291 -0.00620 0.03702 0.02733 25 3PY -0.02907 -0.00142 -0.00400 0.03502 0.03358 26 3PZ 0.02888 -0.00950 -0.01937 0.04669 0.03176 27 4XX 0.00703 -0.00040 0.00076 0.00090 0.00320 28 4YY -0.00385 0.00038 0.00101 -0.00204 0.00904 29 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 -0.00280 30 4XY -0.00455 0.00015 0.00020 0.00210 -0.00786 31 4XZ 0.00046 -0.00055 -0.00003 -0.00131 -0.00555 32 4YZ -0.00466 0.00026 0.00027 0.00046 -0.00926 33 4 H 1S -0.06453 0.01842 0.03456 -0.12049 -0.13843 34 2S -0.02740 0.01177 0.02240 -0.08522 -0.08665 35 5 C 1S 0.05700 -0.00370 -0.00457 0.00525 -0.06954 36 2S -0.11519 0.00603 0.00980 -0.00987 0.14349 37 2PX 0.08938 -0.01931 -0.02770 0.11643 -0.06287 38 2PY 0.13460 -0.00266 0.00744 -0.12253 0.08211 39 2PZ 0.08849 -0.03280 -0.05980 0.14404 -0.07087 40 3S -0.10505 0.01672 0.01738 -0.01926 0.15381 41 3PX 0.02721 -0.00291 -0.00620 0.03702 -0.02733 42 3PY 0.02907 0.00142 0.00400 -0.03502 0.03358 43 3PZ 0.02888 -0.00950 -0.01937 0.04668 -0.03176 44 4XX 0.00703 -0.00040 0.00076 0.00090 -0.00320 45 4YY -0.00385 0.00038 0.00101 -0.00204 -0.00904 46 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 0.00280 47 4XY 0.00455 -0.00015 -0.00020 -0.00210 -0.00786 48 4XZ 0.00046 -0.00055 -0.00003 -0.00131 0.00555 49 4YZ 0.00466 -0.00026 -0.00027 -0.00046 -0.00926 50 6 H 1S -0.06453 0.01842 0.03456 -0.12049 0.13843 51 2S -0.02740 0.01177 0.02240 -0.08522 0.08665 52 7 C 1S -0.10221 0.01243 0.00593 0.00758 0.06160 53 2S 0.20674 -0.02605 -0.01128 -0.01798 -0.12767 54 2PX 0.00355 0.00929 0.04269 -0.01429 -0.07387 55 2PY 0.07521 0.01897 0.04312 -0.19957 -0.11924 56 2PZ -0.00523 -0.00864 -0.02146 0.01120 -0.01967 57 3S 0.19341 -0.02642 -0.01502 -0.01838 -0.14638 58 3PX 0.00839 0.00957 0.01713 0.00485 -0.03067 59 3PY 0.03143 0.00913 0.02111 -0.08101 -0.04703 60 3PZ -0.00418 -0.00263 -0.00587 0.01018 -0.00077 61 4XX -0.00818 0.00096 0.00299 0.00020 0.00863 62 4YY 0.00404 -0.00063 0.00065 -0.00238 -0.01114 63 4ZZ -0.00854 0.00206 0.00006 -0.00181 0.00992 64 4XY 0.00041 0.00000 -0.00187 0.00216 0.00005 65 4XZ -0.00002 -0.00128 0.00078 -0.00152 0.00499 66 4YZ -0.00150 -0.00002 0.00103 0.00081 0.00209 67 8 H 1S 0.11678 0.00023 0.02012 -0.11151 -0.13179 68 2S 0.05092 0.00381 0.01350 -0.06811 -0.08344 69 9 C 1S 0.04252 -0.00808 0.00681 0.00557 0.04544 70 2S -0.08562 0.01802 -0.01492 -0.01013 -0.09134 71 2PX -0.02393 0.00211 0.09664 -0.03187 -0.00771 72 2PY -0.07742 0.00184 -0.02338 0.08419 0.03414 73 2PZ -0.10178 0.03756 0.00532 -0.10168 -0.10452 74 3S -0.08412 0.01121 -0.01990 -0.02785 -0.12229 75 3PX -0.00901 -0.00468 0.04047 -0.01506 -0.00725 76 3PY -0.02419 0.00042 -0.00272 0.03836 0.00864 77 3PZ -0.03482 0.01451 -0.00659 -0.04013 -0.04434 78 4XX -0.00235 0.00083 0.00328 -0.00497 -0.00641 79 4YY -0.00228 0.00097 -0.00078 -0.00095 0.00754 80 4ZZ 0.00761 -0.00105 -0.00188 0.00214 0.00294 81 4XY 0.00165 -0.00026 -0.00069 -0.00075 0.00126 82 4XZ 0.00378 -0.00097 0.00063 0.00322 0.00273 83 4YZ 0.00494 -0.00010 0.00095 -0.00328 0.00987 84 10 H 1S -0.04640 0.01879 -0.03237 -0.04629 -0.08453 85 2S -0.02136 0.00974 -0.01510 -0.03114 -0.05214 86 11 H 1S -0.04247 0.01139 0.05537 -0.04764 -0.06777 87 2S -0.01762 0.01371 0.05149 -0.02204 -0.03710 88 12 C 1S 0.04252 -0.00808 0.00681 0.00557 -0.04544 89 2S -0.08563 0.01802 -0.01492 -0.01013 0.09134 90 2PX -0.02393 0.00211 0.09664 -0.03187 0.00771 91 2PY 0.07743 -0.00184 0.02338 -0.08419 0.03414 92 2PZ -0.10178 0.03756 0.00532 -0.10168 0.10452 93 3S -0.08412 0.01121 -0.01990 -0.02786 0.12229 94 3PX -0.00901 -0.00468 0.04047 -0.01507 0.00725 95 3PY 0.02420 -0.00042 0.00272 -0.03836 0.00863 96 3PZ -0.03482 0.01451 -0.00659 -0.04013 0.04434 97 4XX -0.00235 0.00083 0.00328 -0.00497 0.00641 98 4YY -0.00228 0.00097 -0.00078 -0.00095 -0.00754 99 4ZZ 0.00761 -0.00105 -0.00188 0.00214 -0.00294 100 4XY -0.00165 0.00026 0.00069 0.00075 0.00126 101 4XZ 0.00378 -0.00097 0.00063 0.00322 -0.00273 102 4YZ -0.00494 0.00010 -0.00095 0.00328 0.00987 103 13 H 1S -0.04640 0.01879 -0.03238 -0.04629 0.08453 104 2S -0.02136 0.00974 -0.01511 -0.03114 0.05214 105 14 H 1S -0.04247 0.01139 0.05537 -0.04764 0.06777 106 2S -0.01762 0.01371 0.05148 -0.02204 0.03710 107 15 C 1S -0.00096 -0.01077 -0.00553 0.00027 0.00000 108 2S 0.00285 0.02343 0.00836 -0.00202 0.00000 109 2PX 0.01560 0.22010 -0.14681 -0.00043 0.00000 110 2PY 0.00000 0.00000 -0.00001 0.00000 -0.07077 111 2PZ 0.00731 0.07965 0.30145 0.09955 0.00000 112 3S 0.00473 0.04137 0.02722 0.00853 0.00000 113 3PX 0.00843 0.08450 -0.07295 -0.00355 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.02804 115 3PZ 0.00408 0.01922 0.11947 0.04305 0.00000 116 4XX -0.00055 -0.00015 -0.00213 -0.00084 0.00000 117 4YY 0.00114 -0.00245 -0.00482 -0.00048 0.00000 118 4ZZ -0.00099 -0.00008 0.00615 0.00099 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00227 120 4XZ -0.00164 -0.01453 -0.00685 -0.00449 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00290 122 16 C 1S 0.00937 -0.01087 -0.00408 -0.00036 -0.00588 123 2S -0.02082 0.02182 0.00864 0.00108 0.01077 124 2PX -0.02355 -0.04636 -0.05102 -0.03427 -0.05261 125 2PY -0.04755 -0.19535 -0.06017 -0.03875 -0.01148 126 2PZ 0.00372 -0.15379 0.06745 0.01082 -0.03787 127 3S -0.00965 0.04433 0.01531 0.00643 0.01814 128 3PX -0.00747 -0.00762 -0.02766 -0.01433 -0.01824 129 3PY -0.01395 -0.06106 -0.01981 -0.01142 -0.00885 130 3PZ 0.00437 -0.05090 0.03234 0.00446 -0.00578 131 4XX 0.00152 -0.00174 -0.00692 -0.00151 -0.00273 132 4YY -0.00087 0.00133 -0.00001 -0.00014 0.00111 133 4ZZ 0.00115 0.00280 0.00727 0.00239 0.00125 134 4XY -0.00092 -0.00669 -0.00442 -0.00441 0.00558 135 4XZ -0.00110 -0.00280 0.00205 -0.00093 -0.00325 136 4YZ -0.00074 -0.00165 -0.00110 -0.00030 0.00424 137 17 C 1S 0.00937 -0.01088 -0.00408 -0.00036 0.00588 138 2S -0.02083 0.02182 0.00864 0.00109 -0.01076 139 2PX -0.02355 -0.04636 -0.05102 -0.03426 0.05261 140 2PY 0.04754 0.19536 0.06017 0.03875 -0.01148 141 2PZ 0.00372 -0.15378 0.06746 0.01083 0.03787 142 3S -0.00965 0.04433 0.01531 0.00643 -0.01814 143 3PX -0.00747 -0.00762 -0.02766 -0.01433 0.01824 144 3PY 0.01394 0.06107 0.01981 0.01142 -0.00885 145 3PZ 0.00437 -0.05090 0.03234 0.00446 0.00577 146 4XX 0.00152 -0.00174 -0.00692 -0.00151 0.00273 147 4YY -0.00087 0.00133 -0.00001 -0.00014 -0.00111 148 4ZZ 0.00115 0.00281 0.00727 0.00239 -0.00125 149 4XY 0.00091 0.00670 0.00442 0.00441 0.00558 150 4XZ -0.00110 -0.00280 0.00205 -0.00093 0.00325 151 4YZ 0.00074 0.00165 0.00110 0.00030 0.00424 152 18 H 1S 0.00689 0.10831 -0.09040 -0.00873 0.00000 153 2S 0.00242 0.06407 -0.05008 -0.00282 0.00000 154 19 H 1S 0.00746 0.12876 0.00465 0.00977 0.03700 155 2S 0.00580 0.07794 0.00772 0.00249 0.02722 156 20 H 1S 0.00745 0.12876 0.00465 0.00976 -0.03699 157 2S 0.00579 0.07794 0.00772 0.00249 -0.02722 158 21 H 1S 0.00036 0.03000 0.17195 0.04823 0.00000 159 2S -0.00426 0.02517 0.10561 0.02525 0.00000 160 22 O 1S -0.00787 -0.02952 -0.00278 -0.01111 -0.00414 161 2S 0.01893 0.06741 0.00643 0.02495 0.00879 162 2PX 0.00462 0.05347 -0.16040 -0.03339 -0.06329 163 2PY 0.02736 0.19859 0.08010 0.06941 0.01146 164 2PZ 0.00853 -0.05737 0.12575 0.03153 -0.05849 165 3S 0.02410 0.09920 0.00699 0.04173 0.02136 166 3PX 0.00459 0.03581 -0.08924 -0.01747 -0.03353 167 3PY 0.01586 0.11637 0.04809 0.04078 0.00387 168 3PZ 0.00534 -0.02721 0.07612 0.01902 -0.02974 169 4XX 0.00143 0.00629 0.00441 0.00253 -0.00040 170 4YY -0.00199 -0.01676 -0.00725 -0.00596 -0.00109 171 4ZZ 0.00065 0.00841 0.00324 0.00174 -0.00074 172 4XY -0.00204 -0.01179 0.00815 0.00047 0.00280 173 4XZ 0.00007 0.00511 -0.00055 0.00080 -0.00002 174 4YZ -0.00149 -0.00143 -0.01119 -0.00382 0.00235 175 23 O 1S -0.00787 -0.02952 -0.00278 -0.01111 0.00414 176 2S 0.01893 0.06741 0.00643 0.02495 -0.00878 177 2PX 0.00461 0.05347 -0.16040 -0.03338 0.06329 178 2PY -0.02736 -0.19860 -0.08011 -0.06941 0.01146 179 2PZ 0.00852 -0.05737 0.12575 0.03153 0.05850 180 3S 0.02410 0.09920 0.00699 0.04172 -0.02136 181 3PX 0.00459 0.03581 -0.08924 -0.01747 0.03352 182 3PY -0.01587 -0.11637 -0.04809 -0.04078 0.00386 183 3PZ 0.00534 -0.02721 0.07612 0.01902 0.02975 184 4XX 0.00143 0.00629 0.00441 0.00253 0.00040 185 4YY -0.00199 -0.01676 -0.00726 -0.00596 0.00109 186 4ZZ 0.00065 0.00841 0.00324 0.00174 0.00074 187 4XY 0.00204 0.01179 -0.00815 -0.00047 0.00280 188 4XZ 0.00007 0.00511 -0.00055 0.00080 0.00002 189 4YZ 0.00149 0.00143 0.01119 0.00382 0.00235 26 27 28 29 30 O O O O O Eigenvalues -- -0.44670 -0.44356 -0.44106 -0.40558 -0.39790 1 1 C 1S 0.02373 -0.00062 -0.00395 -0.00060 -0.02736 2 2S -0.04992 -0.00093 0.00775 0.00099 0.06302 3 2PX 0.01211 0.10546 0.03930 0.12512 -0.10099 4 2PY 0.02919 0.01633 -0.00078 -0.03524 0.25434 5 2PZ -0.02248 0.00101 0.04131 0.23685 0.03107 6 3S -0.05780 0.01177 0.01690 0.01216 0.09500 7 3PX 0.00315 0.04405 0.01130 0.03648 -0.04766 8 3PY 0.00935 0.01977 0.00854 -0.00711 0.07514 9 3PZ -0.02116 -0.00502 0.01306 0.08431 0.01005 10 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 11 4YY -0.00332 0.00144 0.00081 0.00260 -0.01169 12 4ZZ 0.00431 -0.00111 -0.00159 0.00350 0.00279 13 4XY 0.00059 0.00365 0.00091 0.00121 -0.00320 14 4XZ -0.00067 0.00388 0.00244 -0.00454 -0.00024 15 4YZ -0.00094 -0.00053 0.00121 0.00457 -0.00081 16 2 H 1S -0.03817 -0.00206 0.00457 0.02005 -0.13988 17 2S -0.02416 0.00272 0.00595 0.01915 -0.14217 18 3 C 1S -0.01119 0.00122 -0.00258 0.00504 -0.00673 19 2S 0.02094 -0.00222 0.00790 -0.01054 0.01763 20 2PX -0.01416 0.00932 -0.03105 -0.15433 0.12098 21 2PY -0.01097 0.05724 0.03603 0.19642 0.01492 22 2PZ -0.03527 -0.05808 -0.01673 -0.07679 0.16406 23 3S 0.03567 -0.00521 -0.00333 -0.01434 0.02553 24 3PX 0.00018 0.00838 -0.01601 -0.06153 0.01629 25 3PY 0.00468 0.01738 0.01229 0.07222 0.03693 26 3PZ -0.01226 -0.02817 -0.00603 -0.02509 0.03669 27 4XX 0.00010 0.00217 -0.00089 -0.00437 0.00156 28 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 29 4ZZ -0.00008 -0.00265 0.00011 0.00260 0.00083 30 4XY 0.00198 0.00173 0.00027 0.00082 -0.00671 31 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 32 4YZ 0.00367 0.00012 0.00047 0.00073 -0.01097 33 4 H 1S 0.03399 0.00332 0.00879 0.01609 -0.11251 34 2S 0.02850 0.00144 0.00537 0.01593 -0.10979 35 5 C 1S 0.01119 0.00121 -0.00258 0.00504 0.00673 36 2S -0.02095 -0.00221 0.00790 -0.01054 -0.01763 37 2PX 0.01416 0.00932 -0.03105 -0.15433 -0.12099 38 2PY -0.01098 -0.05723 -0.03603 -0.19642 0.01492 39 2PZ 0.03526 -0.05809 -0.01672 -0.07679 -0.16406 40 3S -0.03567 -0.00520 -0.00334 -0.01435 -0.02553 41 3PX -0.00017 0.00838 -0.01601 -0.06153 -0.01630 42 3PY 0.00468 -0.01738 -0.01229 -0.07222 0.03692 43 3PZ 0.01225 -0.02818 -0.00603 -0.02509 -0.03668 44 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00157 45 4YY 0.00214 0.00037 0.00117 0.00309 0.00776 46 4ZZ 0.00008 -0.00265 0.00011 0.00260 -0.00083 47 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 48 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 49 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 50 6 H 1S -0.03399 0.00333 0.00878 0.01609 0.11251 51 2S -0.02850 0.00145 0.00537 0.01592 0.10979 52 7 C 1S -0.02373 -0.00061 -0.00395 -0.00060 0.02736 53 2S 0.04992 -0.00094 0.00775 0.00099 -0.06302 54 2PX -0.01209 0.10546 0.03930 0.12512 0.10101 55 2PY 0.02919 -0.01635 0.00078 0.03522 0.25434 56 2PZ 0.02248 0.00101 0.04131 0.23685 -0.03105 57 3S 0.05781 0.01175 0.01691 0.01216 -0.09500 58 3PX -0.00314 0.04405 0.01130 0.03648 0.04767 59 3PY 0.00935 -0.01977 -0.00854 0.00710 0.07514 60 3PZ 0.02116 -0.00502 0.01307 0.08431 -0.01004 61 4XX -0.00268 -0.00005 0.00022 -0.00440 -0.00057 62 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 63 4ZZ -0.00431 -0.00111 -0.00159 0.00350 -0.00279 64 4XY 0.00059 -0.00365 -0.00091 -0.00120 -0.00320 65 4XZ 0.00067 0.00388 0.00244 -0.00455 0.00024 66 4YZ -0.00094 0.00053 -0.00121 -0.00457 -0.00081 67 8 H 1S 0.03817 -0.00207 0.00458 0.02004 0.13988 68 2S 0.02416 0.00271 0.00595 0.01915 0.14217 69 9 C 1S -0.01410 -0.00515 -0.00043 0.00002 -0.00885 70 2S 0.03010 0.01140 0.00049 0.00170 0.01672 71 2PX 0.01799 0.22951 0.07273 -0.12343 -0.12742 72 2PY -0.01119 0.01036 -0.01418 -0.14016 0.01426 73 2PZ 0.04250 -0.10553 -0.07138 -0.15624 -0.07845 74 3S 0.04061 0.01705 0.00837 0.00243 0.05379 75 3PX -0.00226 0.10348 0.03533 -0.05631 -0.06030 76 3PY -0.00920 -0.00079 -0.01007 -0.06578 0.03115 77 3PZ 0.02054 -0.04031 -0.02584 -0.07068 -0.02684 78 4XX 0.00244 0.00087 -0.00017 -0.00463 -0.00344 79 4YY -0.00212 0.00102 -0.00009 -0.00205 -0.00505 80 4ZZ -0.00061 -0.00332 -0.00082 0.00507 0.00687 81 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 82 4XZ -0.00133 0.00828 0.00353 -0.00200 0.00167 83 4YZ -0.00352 0.00012 0.00057 0.00272 0.00143 84 10 H 1S 0.02578 -0.12779 -0.05392 0.01218 0.02404 85 2S 0.01203 -0.10030 -0.04355 0.00920 0.01493 86 11 H 1S 0.03170 0.09957 0.02815 -0.06367 -0.08254 87 2S 0.02293 0.06369 0.00944 -0.04918 -0.07451 88 12 C 1S 0.01410 -0.00516 -0.00042 0.00002 0.00885 89 2S -0.03009 0.01141 0.00048 0.00170 -0.01672 90 2PX -0.01795 0.22951 0.07273 -0.12344 0.12742 91 2PY -0.01119 -0.01036 0.01418 0.14016 0.01426 92 2PZ -0.04251 -0.10552 -0.07139 -0.15623 0.07844 93 3S -0.04060 0.01706 0.00836 0.00243 -0.05379 94 3PX 0.00228 0.10348 0.03533 -0.05631 0.06030 95 3PY -0.00920 0.00079 0.01007 0.06578 0.03115 96 3PZ -0.02054 -0.04031 -0.02585 -0.07068 0.02683 97 4XX -0.00244 0.00087 -0.00018 -0.00463 0.00344 98 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 99 4ZZ 0.00061 -0.00332 -0.00082 0.00507 -0.00687 100 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 101 4XZ 0.00133 0.00828 0.00353 -0.00200 -0.00167 102 4YZ -0.00352 -0.00012 -0.00057 -0.00272 0.00143 103 13 H 1S -0.02580 -0.12778 -0.05393 0.01219 -0.02405 104 2S -0.01205 -0.10029 -0.04356 0.00920 -0.01493 105 14 H 1S -0.03168 0.09957 0.02815 -0.06368 0.08254 106 2S -0.02291 0.06370 0.00944 -0.04918 0.07451 107 15 C 1S 0.00000 0.01983 -0.02043 -0.00013 0.00000 108 2S -0.00001 -0.04352 0.04013 0.00100 0.00000 109 2PX -0.00003 0.00892 0.29898 -0.03911 -0.00001 110 2PY -0.19149 0.00003 -0.00002 0.00000 -0.00995 111 2PZ -0.00004 -0.19833 0.06930 0.01119 0.00000 112 3S -0.00001 -0.05137 0.05412 0.00645 0.00000 113 3PX -0.00001 -0.00565 0.10989 -0.00773 0.00000 114 3PY -0.08925 0.00001 -0.00001 0.00000 0.00177 115 3PZ -0.00002 -0.08657 0.01961 0.01498 0.00000 116 4XX 0.00000 -0.00313 0.02269 -0.00375 0.00000 117 4YY 0.00000 0.01635 -0.02992 0.00468 0.00000 118 4ZZ 0.00000 -0.01230 0.00794 -0.00148 0.00000 119 4XY 0.00392 0.00000 0.00000 0.00000 -0.00211 120 4XZ 0.00000 0.00182 -0.00457 -0.00025 0.00000 121 4YZ 0.00850 0.00000 0.00000 0.00000 0.00432 122 16 C 1S -0.04334 0.00849 -0.00358 -0.00432 -0.00571 123 2S 0.08672 -0.02295 0.01070 0.00806 0.00807 124 2PX -0.13356 -0.09435 0.13123 -0.02798 0.01140 125 2PY -0.07239 0.02204 -0.00100 0.01151 -0.00265 126 2PZ -0.20091 -0.03032 0.16387 -0.02589 -0.02549 127 3S 0.13909 -0.00858 0.01256 0.01683 0.04803 128 3PX -0.03562 -0.03415 0.04727 -0.00533 0.00372 129 3PY -0.00526 0.00616 -0.00332 -0.00033 0.01918 130 3PZ -0.05307 -0.00393 0.06051 -0.00699 -0.01613 131 4XX -0.01109 0.00028 0.00658 -0.00395 0.00160 132 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 133 4ZZ 0.00420 0.00121 -0.00649 0.00176 -0.00185 134 4XY 0.01347 0.00069 -0.00451 0.00022 -0.00121 135 4XZ -0.00595 -0.00537 0.00274 -0.00138 -0.00025 136 4YZ 0.02186 0.00206 -0.00452 0.00011 0.00320 137 17 C 1S 0.04334 0.00848 -0.00357 -0.00432 0.00572 138 2S -0.08672 -0.02292 0.01068 0.00807 -0.00807 139 2PX 0.13350 -0.09438 0.13125 -0.02799 -0.01140 140 2PY -0.07241 -0.02202 0.00098 -0.01151 -0.00263 141 2PZ 0.20088 -0.03037 0.16391 -0.02590 0.02548 142 3S -0.13910 -0.00855 0.01253 0.01683 -0.04804 143 3PX 0.03560 -0.03416 0.04728 -0.00533 -0.00372 144 3PY -0.00527 -0.00616 0.00331 0.00033 0.01919 145 3PZ 0.05306 -0.00394 0.06052 -0.00700 0.01613 146 4XX 0.01109 0.00028 0.00659 -0.00395 -0.00160 147 4YY -0.00182 0.00045 -0.00230 0.00138 0.00149 148 4ZZ -0.00420 0.00121 -0.00649 0.00176 0.00185 149 4XY 0.01347 -0.00069 0.00451 -0.00022 -0.00121 150 4XZ 0.00595 -0.00537 0.00274 -0.00138 0.00025 151 4YZ 0.02186 -0.00207 0.00452 -0.00011 0.00320 152 18 H 1S -0.00002 -0.00140 0.19582 -0.02667 0.00000 153 2S -0.00001 0.00862 0.14788 -0.02502 0.00000 154 19 H 1S 0.18978 0.00993 -0.08952 0.01442 0.01386 155 2S 0.14822 0.01108 -0.07276 0.00770 0.00331 156 20 H 1S -0.18976 0.00998 -0.08956 0.01442 -0.01385 157 2S -0.14821 0.01111 -0.07279 0.00771 -0.00330 158 21 H 1S -0.00002 -0.12924 0.03839 0.00243 0.00000 159 2S -0.00002 -0.07777 0.03202 -0.01649 0.00000 160 22 O 1S -0.01680 -0.01264 0.02333 -0.00419 0.00046 161 2S 0.03654 0.02825 -0.05159 0.00896 -0.00284 162 2PX -0.20199 0.12868 -0.15400 0.02096 -0.04583 163 2PY 0.02964 0.00071 0.02249 0.01390 0.02108 164 2PZ -0.12161 0.05249 -0.18959 0.04667 0.05293 165 3S 0.08737 0.04939 -0.10467 0.01780 0.00124 166 3PX -0.10904 0.07168 -0.08074 0.01166 -0.03273 167 3PY 0.00786 0.00893 0.00851 0.00961 0.01281 168 3PZ -0.05872 0.02970 -0.10564 0.03037 0.03686 169 4XX 0.00008 -0.00066 0.00830 -0.00066 0.00101 170 4YY -0.00227 -0.00028 -0.00208 -0.00071 -0.00156 171 4ZZ -0.00539 -0.00301 0.00039 -0.00006 -0.00122 172 4XY 0.00858 -0.00644 0.00494 -0.00084 0.00145 173 4XZ -0.00199 -0.00354 0.00343 -0.00036 -0.00144 174 4YZ 0.00510 -0.00044 0.00948 -0.00241 -0.00199 175 23 O 1S 0.01679 -0.01265 0.02333 -0.00419 -0.00046 176 2S -0.03652 0.02826 -0.05160 0.00896 0.00283 177 2PX 0.20205 0.12863 -0.15396 0.02096 0.04583 178 2PY 0.02965 -0.00072 -0.02247 -0.01390 0.02109 179 2PZ 0.12166 0.05246 -0.18957 0.04667 -0.05294 180 3S -0.08734 0.04942 -0.10469 0.01781 -0.00125 181 3PX 0.10908 0.07165 -0.08072 0.01166 0.03273 182 3PY 0.00786 -0.00893 -0.00850 -0.00962 0.01282 183 3PZ 0.05875 0.02968 -0.10564 0.03037 -0.03687 184 4XX -0.00009 -0.00066 0.00830 -0.00066 -0.00101 185 4YY 0.00227 -0.00028 -0.00208 -0.00071 0.00156 186 4ZZ 0.00539 -0.00301 0.00039 -0.00006 0.00122 187 4XY 0.00859 0.00644 -0.00494 0.00084 0.00145 188 4XZ 0.00199 -0.00354 0.00343 -0.00036 0.00144 189 4YZ 0.00511 0.00044 -0.00948 0.00241 -0.00199 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38414 -0.37326 -0.35525 -0.34881 1 1 C 1S -0.00338 -0.00256 -0.00623 0.00442 -0.00778 2 2S 0.00581 0.00655 0.01853 -0.01274 0.01954 3 2PX -0.00250 0.01300 0.05241 -0.01313 -0.09599 4 2PY -0.01291 0.05039 0.13677 -0.05863 0.02133 5 2PZ 0.01549 0.03911 -0.03082 0.01260 0.06730 6 3S 0.01606 0.01081 -0.01226 0.01658 0.01465 7 3PX -0.00158 -0.01051 0.05384 -0.02949 -0.05667 8 3PY -0.00481 0.00966 0.01682 -0.00960 0.00986 9 3PZ 0.00693 -0.01470 -0.01455 0.00024 0.04225 10 4XX -0.00094 0.00035 0.00515 -0.00165 0.00137 11 4YY 0.00197 -0.00346 -0.00662 0.00265 -0.00411 12 4ZZ -0.00151 0.00076 0.00026 0.00010 -0.00218 13 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 14 4XZ 0.00133 0.00138 0.00402 -0.00234 0.00624 15 4YZ -0.00223 0.01022 -0.00122 0.00048 0.00250 16 2 H 1S 0.01388 -0.03208 -0.07864 0.03232 -0.02010 17 2S 0.01012 -0.03590 -0.08718 0.02902 -0.02221 18 3 C 1S -0.00999 0.01763 -0.01083 0.00562 -0.00511 19 2S 0.02443 -0.04016 0.02195 -0.00834 0.01107 20 2PX 0.02174 -0.07886 0.05002 -0.02591 -0.06472 21 2PY 0.11438 -0.19126 0.00069 0.00046 -0.08216 22 2PZ 0.06210 -0.09334 0.01744 -0.01617 0.08546 23 3S 0.01834 -0.06649 0.07770 -0.05446 0.01058 24 3PX 0.00346 -0.03125 0.03150 -0.02532 -0.03995 25 3PY 0.03864 -0.05038 0.01267 -0.00305 -0.03214 26 3PZ 0.02361 -0.02974 0.01974 -0.01899 0.04541 27 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 28 4YY 0.00326 -0.00571 -0.00484 0.00223 -0.00106 29 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 30 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 31 4XZ -0.00264 0.00609 0.00205 -0.00113 0.00290 32 4YZ -0.00076 0.00278 0.00017 0.00079 0.00156 33 4 H 1S -0.06114 0.11468 -0.01198 0.01067 0.01679 34 2S -0.05781 0.11959 -0.00971 0.00876 0.01664 35 5 C 1S -0.00999 0.01763 0.01083 -0.00562 -0.00511 36 2S 0.02443 -0.04016 -0.02195 0.00834 0.01108 37 2PX 0.02175 -0.07886 -0.05002 0.02592 -0.06471 38 2PY -0.11438 0.19126 0.00069 0.00045 0.08215 39 2PZ 0.06211 -0.09333 -0.01744 0.01616 0.08547 40 3S 0.01835 -0.06649 -0.07769 0.05446 0.01059 41 3PX 0.00346 -0.03125 -0.03150 0.02533 -0.03995 42 3PY -0.03864 0.05038 0.01267 -0.00306 0.03214 43 3PZ 0.02361 -0.02974 -0.01974 0.01899 0.04541 44 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 45 4YY 0.00326 -0.00571 0.00484 -0.00223 -0.00106 46 4ZZ -0.00360 0.00916 0.00062 -0.00079 0.00378 47 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 48 4XZ -0.00264 0.00609 -0.00205 0.00113 0.00290 49 4YZ 0.00077 -0.00278 0.00017 0.00079 -0.00156 50 6 H 1S -0.06115 0.11467 0.01198 -0.01067 0.01679 51 2S -0.05782 0.11959 0.00971 -0.00876 0.01664 52 7 C 1S -0.00339 -0.00256 0.00623 -0.00442 -0.00778 53 2S 0.00582 0.00655 -0.01853 0.01274 0.01954 54 2PX -0.00251 0.01299 -0.05241 0.01314 -0.09600 55 2PY 0.01290 -0.05039 0.13677 -0.05863 -0.02133 56 2PZ 0.01549 0.03911 0.03083 -0.01261 0.06731 57 3S 0.01606 0.01082 0.01226 -0.01658 0.01465 58 3PX -0.00159 -0.01051 -0.05384 0.02950 -0.05667 59 3PY 0.00481 -0.00966 0.01682 -0.00960 -0.00986 60 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04226 61 4XX -0.00094 0.00035 -0.00515 0.00165 0.00137 62 4YY 0.00197 -0.00346 0.00662 -0.00265 -0.00411 63 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 64 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 65 4XZ 0.00133 0.00138 -0.00402 0.00234 0.00624 66 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 67 8 H 1S 0.01387 -0.03208 0.07864 -0.03231 -0.02010 68 2S 0.01011 -0.03590 0.08718 -0.02901 -0.02221 69 9 C 1S 0.00306 -0.02069 -0.00249 0.00130 -0.00272 70 2S -0.00755 0.04516 -0.00035 -0.00385 0.00793 71 2PX 0.08123 -0.04518 0.15607 -0.08140 0.08071 72 2PY -0.07395 0.21892 0.01045 -0.00256 -0.04213 73 2PZ 0.00722 -0.16429 -0.09243 0.04261 -0.06560 74 3S -0.00372 0.08486 0.04622 0.00040 -0.00102 75 3PX 0.03275 -0.01862 0.06145 -0.02240 0.03267 76 3PY -0.03468 0.09033 0.04179 -0.01344 -0.01868 77 3PZ 0.01609 -0.08314 -0.06035 0.02683 -0.02493 78 4XX 0.00435 -0.01049 0.00122 -0.00088 0.00329 79 4YY -0.00171 0.00682 -0.00236 0.00078 -0.00059 80 4ZZ -0.00110 -0.00220 -0.00011 0.00014 -0.00285 81 4XY -0.00073 0.00052 -0.01122 0.00584 -0.00004 82 4XZ 0.00447 0.00227 0.00668 -0.00432 0.00978 83 4YZ 0.00023 0.00023 0.00379 -0.00185 0.00002 84 10 H 1S -0.02004 -0.07974 -0.11104 0.05648 -0.05823 85 2S -0.02532 -0.07536 -0.09573 0.05361 -0.06183 86 11 H 1S 0.06090 -0.08549 0.08478 -0.04649 0.05429 87 2S 0.04167 -0.08605 0.09773 -0.06861 0.05671 88 12 C 1S 0.00306 -0.02069 0.00249 -0.00130 -0.00272 89 2S -0.00755 0.04516 0.00035 0.00385 0.00793 90 2PX 0.08122 -0.04520 -0.15607 0.08139 0.08071 91 2PY 0.07395 -0.21891 0.01046 -0.00257 0.04213 92 2PZ 0.00722 -0.16430 0.09243 -0.04261 -0.06560 93 3S -0.00372 0.08486 -0.04622 -0.00040 -0.00102 94 3PX 0.03274 -0.01863 -0.06145 0.02239 0.03267 95 3PY 0.03467 -0.09033 0.04180 -0.01344 0.01868 96 3PZ 0.01609 -0.08315 0.06035 -0.02683 -0.02493 97 4XX 0.00434 -0.01049 -0.00122 0.00088 0.00329 98 4YY -0.00171 0.00682 0.00236 -0.00078 -0.00059 99 4ZZ -0.00110 -0.00220 0.00011 -0.00014 -0.00285 100 4XY 0.00073 -0.00052 -0.01122 0.00584 0.00004 101 4XZ 0.00447 0.00227 -0.00668 0.00432 0.00978 102 4YZ -0.00023 -0.00023 0.00379 -0.00185 -0.00002 103 13 H 1S -0.02004 -0.07973 0.11104 -0.05648 -0.05824 104 2S -0.02532 -0.07536 0.09573 -0.05361 -0.06184 105 14 H 1S 0.06089 -0.08550 -0.08477 0.04649 0.05429 106 2S 0.04166 -0.08606 -0.09772 0.06860 0.05671 107 15 C 1S -0.03129 -0.01592 0.00000 0.00000 0.02087 108 2S 0.07639 0.03963 0.00000 0.00000 -0.05255 109 2PX -0.15454 -0.07162 0.00000 0.00000 -0.06502 110 2PY 0.00000 0.00000 -0.06905 -0.17978 -0.00001 111 2PZ -0.01797 0.00016 0.00000 -0.00001 0.17947 112 3S 0.08255 0.04561 0.00000 0.00000 -0.06791 113 3PX -0.06705 -0.03035 0.00000 0.00000 -0.00653 114 3PY 0.00000 0.00000 -0.02100 -0.00553 0.00000 115 3PZ -0.02674 0.00026 0.00000 0.00000 0.04819 116 4XX -0.00402 -0.00157 0.00000 0.00000 -0.01842 117 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 118 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01775 119 4XY 0.00000 0.00000 0.01650 0.01812 0.00000 120 4XZ 0.00786 0.00305 0.00000 0.00000 -0.00389 121 4YZ 0.00000 0.00000 -0.00763 0.01713 0.00000 122 16 C 1S 0.01689 0.00694 -0.01727 -0.03095 -0.00028 123 2S -0.03768 -0.01690 0.03514 0.07035 0.00353 124 2PX 0.11956 0.02819 -0.05562 0.07432 0.12393 125 2PY -0.23107 -0.11829 -0.00835 0.00355 0.18252 126 2PZ -0.09959 -0.03293 0.08244 0.04474 -0.12764 127 3S -0.05886 -0.02341 0.07137 0.10617 0.00161 128 3PX 0.05942 0.01764 -0.05558 -0.00860 0.08673 129 3PY -0.05968 -0.02881 0.01927 0.05220 0.05864 130 3PZ -0.04601 -0.00578 0.03758 -0.01248 -0.08088 131 4XX 0.01016 0.00359 -0.00612 0.00543 0.00039 132 4YY -0.00909 -0.00439 -0.00394 -0.01151 0.00544 133 4ZZ 0.00694 0.00473 0.00789 0.00274 -0.00897 134 4XY 0.00674 0.00170 0.00605 0.00330 0.00188 135 4XZ 0.00732 0.00269 0.00250 0.00900 -0.00648 136 4YZ 0.00406 0.00262 -0.00412 0.00351 -0.00620 137 17 C 1S 0.01689 0.00694 0.01727 0.03095 -0.00028 138 2S -0.03768 -0.01690 -0.03514 -0.07035 0.00352 139 2PX 0.11956 0.02819 0.05562 -0.07434 0.12392 140 2PY 0.23108 0.11830 -0.00836 0.00356 -0.18251 141 2PZ -0.09958 -0.03293 -0.08244 -0.04473 -0.12765 142 3S -0.05886 -0.02341 -0.07137 -0.10616 0.00160 143 3PX 0.05942 0.01764 0.05558 0.00859 0.08673 144 3PY 0.05969 0.02881 0.01927 0.05221 -0.05864 145 3PZ -0.04601 -0.00578 -0.03758 0.01249 -0.08088 146 4XX 0.01016 0.00359 0.00612 -0.00543 0.00039 147 4YY -0.00909 -0.00439 0.00395 0.01151 0.00544 148 4ZZ 0.00694 0.00473 -0.00789 -0.00274 -0.00897 149 4XY -0.00674 -0.00170 0.00605 0.00330 -0.00188 150 4XZ 0.00732 0.00269 -0.00250 -0.00900 -0.00648 151 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 152 18 H 1S -0.05868 -0.02636 0.00000 0.00000 -0.10324 153 2S -0.06681 -0.02976 0.00000 0.00000 -0.09888 154 19 H 1S 0.10331 0.05196 -0.00692 0.00525 -0.04080 155 2S 0.09581 0.05554 -0.01353 -0.00961 -0.05592 156 20 H 1S 0.10331 0.05196 0.00692 -0.00525 -0.04080 157 2S 0.09581 0.05554 0.01352 0.00961 -0.05592 158 21 H 1S 0.05620 0.02391 0.00000 -0.00001 0.12004 159 2S 0.05454 0.01113 0.00000 -0.00001 0.15192 160 22 O 1S 0.03751 0.01425 -0.01757 -0.03613 -0.01841 161 2S -0.07463 -0.02607 0.03957 0.07274 0.03595 162 2PX -0.04362 -0.02392 0.17528 0.06747 0.13856 163 2PY -0.20890 -0.08341 0.09692 0.41181 0.10609 164 2PZ -0.11690 -0.03180 -0.20961 0.03336 -0.09789 165 3S -0.17861 -0.07432 0.06330 0.13351 0.08449 166 3PX -0.02996 -0.01448 0.12777 0.04959 0.09594 167 3PY -0.12843 -0.05036 0.06173 0.27491 0.06924 168 3PZ -0.07703 -0.02164 -0.13959 0.02384 -0.06028 169 4XX -0.00403 -0.00041 -0.00513 0.00060 -0.01004 170 4YY 0.01542 0.00641 -0.00347 -0.02029 -0.00698 171 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 172 4XY 0.00010 -0.00003 -0.00860 -0.00813 -0.00210 173 4XZ 0.00067 0.00041 0.00242 -0.00199 0.00135 174 4YZ 0.00249 -0.00081 0.00771 -0.00316 0.00640 175 23 O 1S 0.03751 0.01425 0.01756 0.03613 -0.01841 176 2S -0.07463 -0.02607 -0.03957 -0.07274 0.03594 177 2PX -0.04362 -0.02392 -0.17528 -0.06747 0.13857 178 2PY 0.20892 0.08342 0.09691 0.41182 -0.10604 179 2PZ -0.11689 -0.03179 0.20962 -0.03333 -0.09792 180 3S -0.17862 -0.07432 -0.06329 -0.13351 0.08448 181 3PX -0.02996 -0.01449 -0.12777 -0.04959 0.09594 182 3PY 0.12844 0.05036 0.06172 0.27491 -0.06921 183 3PZ -0.07703 -0.02163 0.13959 -0.02382 -0.06030 184 4XX -0.00403 -0.00041 0.00513 -0.00060 -0.01004 185 4YY 0.01542 0.00641 0.00347 0.02029 -0.00698 186 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 187 4XY -0.00010 0.00003 -0.00860 -0.00813 0.00210 188 4XZ 0.00067 0.00041 -0.00242 0.00199 0.00135 189 4YZ -0.00249 0.00081 0.00771 -0.00316 -0.00640 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28625 -0.19800 1 1 C 1S -0.01044 -0.00118 0.00072 0.01248 0.01316 2 2S 0.02697 -0.00313 -0.00764 -0.02322 -0.02810 3 2PX 0.08855 -0.10029 0.06196 -0.12501 -0.25642 4 2PY 0.05357 -0.02348 -0.18181 -0.07743 -0.08082 5 2PZ 0.10162 -0.23183 -0.05583 0.04044 0.15994 6 3S 0.02199 0.05076 0.02050 -0.06290 -0.04143 7 3PX 0.04268 -0.04288 0.02754 -0.07268 -0.19395 8 3PY 0.01136 0.02971 -0.04897 -0.05954 -0.02272 9 3PZ 0.03858 -0.09632 -0.02304 0.03569 0.14700 10 4XX -0.00064 0.00142 -0.00777 0.01107 0.00723 11 4YY -0.00225 0.00267 0.02072 0.00379 0.00184 12 4ZZ 0.00156 -0.00579 -0.00930 -0.01078 -0.00813 13 4XY 0.00278 -0.00456 -0.00177 -0.00378 -0.00203 14 4XZ 0.00614 0.00381 -0.00469 -0.00194 0.00293 15 4YZ 0.00326 -0.00689 0.00267 0.00447 0.00138 16 2 H 1S -0.02692 0.02561 0.15224 0.03721 0.02189 17 2S -0.04163 0.03571 0.16878 0.04308 0.05194 18 3 C 1S -0.00476 -0.00272 -0.00196 -0.01120 -0.00590 19 2S 0.00546 0.01588 0.00791 0.02347 0.01966 20 2PX -0.04980 0.14859 0.00089 -0.19345 -0.11968 21 2PY 0.00448 -0.01668 0.21059 0.00890 -0.02877 22 2PZ -0.05521 0.12132 -0.02498 0.20516 0.15116 23 3S 0.04961 -0.07021 -0.00324 0.05552 -0.04888 24 3PX -0.00351 0.02663 -0.00318 -0.12750 -0.12084 25 3PY 0.02034 -0.04056 0.07791 -0.00527 -0.07359 26 3PZ -0.00505 0.00323 -0.02231 0.13574 0.09143 27 4XX 0.00023 0.00152 -0.00351 -0.00665 -0.01018 28 4YY -0.00207 0.00041 0.00856 0.00362 0.00345 29 4ZZ 0.00242 -0.00732 -0.00764 0.00066 0.00536 30 4XY 0.00501 -0.01190 -0.00292 -0.00789 0.00667 31 4XZ 0.00311 -0.00451 -0.00649 -0.00105 -0.00071 32 4YZ 0.00529 -0.00993 -0.00311 0.00356 -0.01174 33 4 H 1S 0.05620 -0.12075 -0.06929 -0.02891 -0.02585 34 2S 0.06633 -0.15116 -0.08112 -0.03231 -0.05062 35 5 C 1S 0.00476 0.00272 -0.00196 -0.01120 0.00591 36 2S -0.00546 -0.01589 0.00791 0.02347 -0.01966 37 2PX 0.04982 -0.14860 0.00087 -0.19344 0.11962 38 2PY 0.00446 -0.01666 -0.21059 -0.00890 -0.02876 39 2PZ 0.05520 -0.12132 -0.02500 0.20516 -0.15111 40 3S -0.04961 0.07021 -0.00323 0.05553 0.04887 41 3PX 0.00352 -0.02663 -0.00318 -0.12750 0.12079 42 3PY 0.02033 -0.04056 -0.07791 0.00527 -0.07359 43 3PZ 0.00504 -0.00323 -0.02231 0.13574 -0.09140 44 4XX -0.00022 -0.00152 -0.00351 -0.00665 0.01019 45 4YY 0.00207 -0.00040 0.00856 0.00362 -0.00345 46 4ZZ -0.00242 0.00732 -0.00764 0.00066 -0.00537 47 4XY 0.00501 -0.01190 0.00292 0.00789 0.00667 48 4XZ -0.00311 0.00451 -0.00649 -0.00105 0.00071 49 4YZ 0.00529 -0.00993 0.00311 -0.00356 -0.01174 50 6 H 1S -0.05621 0.12075 -0.06928 -0.02891 0.02585 51 2S -0.06633 0.15116 -0.08110 -0.03231 0.05062 52 7 C 1S 0.01044 0.00118 0.00072 0.01248 -0.01316 53 2S -0.02697 0.00313 -0.00764 -0.02322 0.02809 54 2PX -0.08854 0.10029 0.06198 -0.12501 0.25643 55 2PY 0.05358 -0.02350 0.18181 0.07743 -0.08082 56 2PZ -0.10163 0.23183 -0.05579 0.04044 -0.15995 57 3S -0.02200 -0.05077 0.02050 -0.06291 0.04146 58 3PX -0.04267 0.04288 0.02754 -0.07268 0.19395 59 3PY 0.01136 0.02971 0.04897 0.05954 -0.02273 60 3PZ -0.03859 0.09632 -0.02302 0.03568 -0.14702 61 4XX 0.00064 -0.00142 -0.00777 0.01107 -0.00723 62 4YY 0.00225 -0.00268 0.02072 0.00379 -0.00184 63 4ZZ -0.00156 0.00579 -0.00930 -0.01078 0.00812 64 4XY 0.00278 -0.00456 0.00177 0.00378 -0.00203 65 4XZ -0.00614 -0.00381 -0.00469 -0.00194 -0.00293 66 4YZ 0.00326 -0.00689 -0.00267 -0.00447 0.00138 67 8 H 1S 0.02693 -0.02562 0.15224 0.03721 -0.02189 68 2S 0.04164 -0.03573 0.16878 0.04307 -0.05194 69 9 C 1S -0.00999 0.00303 -0.00649 0.00204 0.00752 70 2S 0.02397 -0.00985 0.01911 -0.00733 -0.00934 71 2PX 0.14193 0.16962 -0.00754 0.05500 0.07890 72 2PY -0.01368 0.01037 0.27372 0.09271 -0.01321 73 2PZ -0.17307 0.18143 0.03441 0.01722 -0.03512 74 3S 0.05245 -0.02788 0.00793 -0.01559 -0.09908 75 3PX 0.07498 0.08638 -0.00320 0.01732 0.04013 76 3PY -0.01212 -0.00216 0.13289 0.06112 -0.01255 77 3PZ -0.06062 0.11418 0.03285 -0.01014 -0.01888 78 4XX -0.00130 0.00941 -0.00760 0.00246 0.00619 79 4YY -0.00038 -0.00084 0.01218 0.00278 0.00399 80 4ZZ -0.00065 -0.00559 -0.00679 -0.00717 -0.00914 81 4XY -0.00982 -0.01124 0.00067 0.00033 -0.00312 82 4XZ 0.00982 0.00252 -0.00308 0.00570 0.01276 83 4YZ 0.01005 -0.01133 0.00382 0.00204 0.00325 84 10 H 1S -0.14065 0.00344 -0.03761 -0.04875 -0.08657 85 2S -0.14965 -0.00222 -0.04294 -0.04232 -0.10180 86 11 H 1S 0.06160 0.13917 -0.06450 0.01831 0.06721 87 2S 0.01795 0.12496 -0.06739 0.04702 0.11832 88 12 C 1S 0.00999 -0.00303 -0.00649 0.00204 -0.00752 89 2S -0.02397 0.00985 0.01911 -0.00733 0.00933 90 2PX -0.14194 -0.16962 -0.00755 0.05499 -0.07890 91 2PY -0.01370 0.01040 -0.27372 -0.09271 -0.01321 92 2PZ 0.17307 -0.18143 0.03438 0.01722 0.03513 93 3S -0.05245 0.02788 0.00793 -0.01559 0.09906 94 3PX -0.07498 -0.08638 -0.00320 0.01731 -0.04013 95 3PY -0.01212 -0.00214 -0.13289 -0.06112 -0.01255 96 3PZ 0.06062 -0.11419 0.03283 -0.01015 0.01889 97 4XX 0.00130 -0.00941 -0.00760 0.00246 -0.00619 98 4YY 0.00038 0.00084 0.01218 0.00278 -0.00399 99 4ZZ 0.00065 0.00559 -0.00679 -0.00717 0.00914 100 4XY -0.00982 -0.01124 -0.00067 -0.00033 -0.00312 101 4XZ -0.00982 -0.00252 -0.00308 0.00570 -0.01276 102 4YZ 0.01005 -0.01133 -0.00382 -0.00204 0.00325 103 13 H 1S 0.14065 -0.00343 -0.03762 -0.04875 0.08658 104 2S 0.14965 0.00223 -0.04295 -0.04231 0.10182 105 14 H 1S -0.06160 -0.13917 -0.06451 0.01831 -0.06721 106 2S -0.01796 -0.12496 -0.06740 0.04702 -0.11832 107 15 C 1S 0.00000 0.00000 0.00484 -0.00072 0.00000 108 2S 0.00000 0.00000 -0.01384 0.00373 0.00000 109 2PX 0.00000 0.00000 -0.03283 0.07144 -0.00002 110 2PY -0.01498 0.00167 0.00000 0.00000 -0.00727 111 2PZ 0.00000 -0.00001 0.08196 -0.11324 0.00001 112 3S 0.00000 0.00000 -0.01437 0.00066 0.00001 113 3PX 0.00000 0.00000 -0.00506 0.00274 0.00000 114 3PY 0.01074 0.00629 0.00000 0.00000 -0.01237 115 3PZ 0.00000 0.00000 0.02067 -0.01321 -0.00001 116 4XX 0.00000 0.00000 -0.00861 0.01578 0.00000 117 4YY 0.00000 0.00000 -0.00006 0.00385 0.00000 118 4ZZ 0.00000 0.00000 0.00936 -0.02004 0.00000 119 4XY -0.00913 -0.00345 0.00000 0.00000 0.00582 120 4XZ 0.00000 0.00000 -0.00053 -0.00060 0.00000 121 4YZ 0.01718 0.00727 0.00000 0.00000 -0.00599 122 16 C 1S 0.00396 0.00532 0.00345 -0.01309 -0.00047 123 2S -0.01443 -0.00845 -0.00539 0.03295 0.00361 124 2PX 0.06827 0.04147 0.04076 -0.03638 0.07529 125 2PY 0.02132 0.01538 0.07049 -0.02276 -0.01353 126 2PZ -0.03286 -0.00481 -0.01753 -0.00904 -0.10137 127 3S 0.03882 -0.03297 -0.01007 0.03754 0.00180 128 3PX 0.06161 0.01579 0.02909 -0.01482 0.08051 129 3PY 0.04194 0.00388 0.02062 -0.01828 0.01803 130 3PZ -0.00483 -0.02484 -0.01762 0.00807 -0.07060 131 4XX 0.01180 0.00670 0.00323 -0.01368 -0.00967 132 4YY -0.00249 -0.00148 0.00236 0.00225 0.00210 133 4ZZ -0.00724 -0.00410 -0.00537 0.00947 0.00514 134 4XY -0.00319 -0.00175 0.00108 0.00084 -0.00517 135 4XZ -0.00162 0.00018 -0.00258 0.00409 0.00505 136 4YZ 0.00352 0.00072 -0.00251 0.00145 0.00741 137 17 C 1S -0.00396 -0.00532 0.00345 -0.01309 0.00046 138 2S 0.01443 0.00845 -0.00539 0.03295 -0.00360 139 2PX -0.06827 -0.04148 0.04076 -0.03638 -0.07537 140 2PY 0.02131 0.01539 -0.07049 0.02276 -0.01350 141 2PZ 0.03286 0.00481 -0.01753 -0.00904 0.10144 142 3S -0.03882 0.03298 -0.01007 0.03754 -0.00175 143 3PX -0.06161 -0.01579 0.02910 -0.01482 -0.08056 144 3PY 0.04194 0.00388 -0.02062 0.01828 0.01805 145 3PZ 0.00483 0.02485 -0.01762 0.00807 0.07064 146 4XX -0.01180 -0.00670 0.00324 -0.01368 0.00967 147 4YY 0.00249 0.00148 0.00236 0.00225 -0.00210 148 4ZZ 0.00724 0.00410 -0.00537 0.00947 -0.00515 149 4XY -0.00319 -0.00175 -0.00108 -0.00084 -0.00516 150 4XZ 0.00162 -0.00018 -0.00258 0.00409 -0.00505 151 4YZ 0.00352 0.00072 0.00251 -0.00145 0.00741 152 18 H 1S 0.00000 0.00000 -0.04717 0.08541 -0.00002 153 2S 0.00000 0.00000 -0.05044 0.11073 -0.00003 154 19 H 1S -0.01312 -0.01729 -0.03248 0.04366 0.06509 155 2S -0.00244 -0.01916 -0.03079 0.03398 0.07001 156 20 H 1S 0.01312 0.01729 -0.03248 0.04366 -0.06510 157 2S 0.00244 0.01916 -0.03079 0.03398 -0.07003 158 21 H 1S 0.00000 0.00000 0.05915 -0.10842 0.00002 159 2S 0.00000 -0.00001 0.07279 -0.14169 0.00004 160 22 O 1S -0.00439 -0.00152 -0.00621 0.00387 -0.00232 161 2S 0.00429 0.00462 0.01234 -0.00699 0.00182 162 2PX -0.17417 -0.06315 0.06116 -0.10721 0.07188 163 2PY 0.09806 0.05438 0.03248 -0.00043 -0.00155 164 2PZ 0.24706 0.11965 -0.06062 0.16853 -0.07469 165 3S 0.03605 -0.00563 0.02748 -0.02266 0.02595 166 3PX -0.13314 -0.04303 0.04361 -0.07750 0.06055 167 3PY 0.06139 0.03933 0.02185 0.00020 -0.00649 168 3PZ 0.16754 0.08418 -0.04205 0.12564 -0.06619 169 4XX 0.00450 0.00313 -0.00401 0.00661 0.00115 170 4YY -0.00624 -0.00196 -0.00166 0.00057 -0.00071 171 4ZZ -0.00321 -0.00022 0.00221 -0.00374 -0.00434 172 4XY 0.00616 0.00148 -0.00085 0.00285 -0.00245 173 4XZ -0.00109 -0.00036 0.00081 -0.00132 -0.00043 174 4YZ -0.01006 -0.00528 0.00312 -0.00633 0.00288 175 23 O 1S 0.00438 0.00152 -0.00621 0.00387 0.00232 176 2S -0.00429 -0.00462 0.01234 -0.00699 -0.00183 177 2PX 0.17418 0.06315 0.06115 -0.10721 -0.07180 178 2PY 0.09807 0.05439 -0.03248 0.00043 -0.00154 179 2PZ -0.24706 -0.11964 -0.06061 0.16852 0.07459 180 3S -0.03605 0.00562 0.02748 -0.02265 -0.02598 181 3PX 0.13315 0.04303 0.04361 -0.07749 -0.06049 182 3PY 0.06139 0.03934 -0.02185 -0.00020 -0.00649 183 3PZ -0.16754 -0.08417 -0.04204 0.12563 0.06612 184 4XX -0.00450 -0.00313 -0.00401 0.00661 -0.00115 185 4YY 0.00624 0.00196 -0.00166 0.00057 0.00071 186 4ZZ 0.00321 0.00022 0.00221 -0.00374 0.00434 187 4XY 0.00616 0.00148 0.00085 -0.00285 -0.00244 188 4XZ 0.00109 0.00036 0.00081 -0.00132 0.00043 189 4YZ -0.01006 -0.00528 -0.00312 0.00633 0.00288 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00698 0.01018 0.08377 0.11232 1 1 C 1S -0.00472 -0.02869 -0.00880 0.02361 -0.04189 2 2S 0.02220 0.05170 0.04381 -0.04893 0.06232 3 2PX -0.03713 0.29286 0.00766 -0.00131 0.03377 4 2PY -0.00640 0.09315 0.01676 0.07473 -0.08536 5 2PZ 0.02568 -0.18153 -0.01165 0.00263 -0.01082 6 3S -0.04326 0.21350 -0.08593 -0.26250 0.59798 7 3PX -0.01523 0.37275 0.00120 0.00397 0.12808 8 3PY -0.03920 0.10312 -0.02710 0.16916 -0.23990 9 3PZ 0.04477 -0.21535 -0.03728 0.04886 0.06927 10 4XX -0.01126 0.00018 -0.01993 -0.00062 -0.00326 11 4YY 0.00295 -0.00195 0.00423 0.00823 -0.00911 12 4ZZ 0.00571 -0.00746 0.01353 -0.00331 0.00293 13 4XY -0.00115 -0.00501 -0.00004 -0.00251 0.00055 14 4XZ 0.00523 0.00385 0.00879 -0.00656 -0.00084 15 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 16 2 H 1S 0.01304 -0.01334 0.01335 0.02886 -0.02886 17 2S 0.00691 -0.05555 0.01292 0.42857 -0.62101 18 3 C 1S -0.00195 0.00460 0.00662 0.02283 -0.02045 19 2S 0.00985 -0.00466 -0.01376 -0.05093 0.02317 20 2PX 0.15348 -0.12037 0.20347 0.03991 -0.07622 21 2PY 0.02329 -0.03531 0.00586 0.03599 -0.05713 22 2PZ -0.11253 0.10309 -0.15781 0.02651 -0.09759 23 3S 0.02458 -0.03352 0.00391 -0.24331 0.42087 24 3PX 0.12909 -0.17265 0.30036 0.08826 -0.15508 25 3PY 0.00709 -0.02147 0.06010 0.06193 -0.11738 26 3PZ -0.08403 0.14987 -0.17054 0.09413 -0.19311 27 4XX -0.00252 0.01610 0.00010 -0.00056 0.00123 28 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00097 29 4ZZ 0.00269 -0.00941 0.00076 0.00528 -0.00296 30 4XY 0.00496 -0.00830 -0.01074 0.00493 -0.00732 31 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00122 32 4YZ -0.00559 0.01374 0.00904 0.00596 -0.00807 33 4 H 1S -0.00341 0.02131 0.01092 0.02991 -0.02735 34 2S -0.00398 0.06251 0.06752 0.37780 -0.61073 35 5 C 1S -0.00195 0.00460 -0.00663 0.02283 -0.02045 36 2S 0.00984 -0.00465 0.01376 -0.05093 0.02317 37 2PX 0.15353 -0.12043 -0.20343 0.03991 -0.07622 38 2PY -0.02331 0.03531 0.00585 -0.03599 0.05713 39 2PZ -0.11259 0.10313 0.15778 0.02651 -0.09759 40 3S 0.02461 -0.03353 -0.00389 -0.24330 0.42086 41 3PX 0.12914 -0.17274 -0.30030 0.08825 -0.15506 42 3PY -0.00712 0.02149 0.06009 -0.06194 0.11738 43 3PZ -0.08407 0.14991 0.17049 0.09413 -0.19311 44 4XX -0.00252 0.01610 -0.00011 -0.00056 0.00123 45 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00097 46 4ZZ 0.00269 -0.00941 -0.00076 0.00528 -0.00295 47 4XY -0.00496 0.00829 -0.01074 -0.00493 0.00732 48 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00122 49 4YZ 0.00558 -0.01374 0.00905 -0.00596 0.00807 50 6 H 1S -0.00340 0.02131 -0.01092 0.02990 -0.02735 51 2S -0.00396 0.06249 -0.06754 0.37780 -0.61072 52 7 C 1S -0.00472 -0.02869 0.00881 0.02361 -0.04189 53 2S 0.02222 0.05168 -0.04383 -0.04893 0.06232 54 2PX -0.03703 0.29285 -0.00776 -0.00131 0.03376 55 2PY 0.00637 -0.09314 0.01679 -0.07474 0.08536 56 2PZ 0.02562 -0.18153 0.01171 0.00262 -0.01081 57 3S -0.04325 0.21355 0.08586 -0.26251 0.59797 58 3PX -0.01514 0.37274 -0.00133 0.00397 0.12806 59 3PY 0.03919 -0.10312 -0.02706 -0.16916 0.23991 60 3PZ 0.04471 -0.21534 0.03736 0.04885 0.06928 61 4XX -0.01126 0.00018 0.01993 -0.00062 -0.00326 62 4YY 0.00295 -0.00195 -0.00423 0.00823 -0.00911 63 4ZZ 0.00571 -0.00746 -0.01353 -0.00331 0.00293 64 4XY 0.00115 0.00501 -0.00005 0.00251 -0.00055 65 4XZ 0.00523 0.00385 -0.00879 -0.00656 -0.00084 66 4YZ 0.00006 -0.00467 0.00027 -0.00384 -0.00171 67 8 H 1S 0.01303 -0.01335 -0.01335 0.02886 -0.02887 68 2S 0.00689 -0.05556 -0.01291 0.42857 -0.62103 69 9 C 1S -0.01156 0.01411 -0.01543 0.05242 0.00918 70 2S 0.02704 -0.02559 0.03231 -0.07735 -0.00297 71 2PX -0.00740 0.01028 -0.02050 -0.09420 -0.10180 72 2PY 0.00756 -0.01791 -0.02726 0.05154 0.02528 73 2PZ -0.04304 0.02628 -0.05414 -0.08098 0.00527 74 3S 0.03912 -0.12993 0.14390 -0.73841 -0.26448 75 3PX -0.01335 0.01222 -0.05385 -0.18146 -0.21127 76 3PY 0.00261 0.01352 -0.04798 0.19729 0.15830 77 3PZ -0.03375 0.01985 -0.04199 -0.16113 0.07273 78 4XX -0.00183 -0.00649 -0.00244 0.01073 0.00044 79 4YY 0.00255 -0.00565 0.00081 -0.00368 -0.00066 80 4ZZ -0.00267 0.01495 0.00075 0.00228 -0.00187 81 4XY -0.00040 -0.00587 0.00101 -0.00322 -0.00055 82 4XZ 0.00393 -0.01388 0.00244 0.00026 0.00082 83 4YZ 0.00100 -0.00203 0.00226 -0.00681 0.00837 84 10 H 1S -0.01966 0.06087 -0.01284 0.01248 -0.01630 85 2S -0.04990 0.20039 -0.09831 0.34456 -0.17666 86 11 H 1S 0.00222 -0.02835 -0.00550 0.03637 0.00734 87 2S 0.02553 -0.04310 -0.00655 0.67027 0.34989 88 12 C 1S -0.01157 0.01412 0.01542 0.05242 0.00917 89 2S 0.02704 -0.02560 -0.03231 -0.07735 -0.00296 90 2PX -0.00743 0.01028 0.02049 -0.09420 -0.10180 91 2PY -0.00756 0.01790 -0.02727 -0.05153 -0.02527 92 2PZ -0.04303 0.02630 0.05414 -0.08098 0.00527 93 3S 0.03917 -0.12997 -0.14386 -0.73840 -0.26444 94 3PX -0.01336 0.01223 0.05384 -0.18146 -0.21126 95 3PY -0.00261 -0.01353 -0.04798 -0.19728 -0.15829 96 3PZ -0.03374 0.01987 0.04199 -0.16115 0.07272 97 4XX -0.00183 -0.00649 0.00244 0.01073 0.00044 98 4YY 0.00255 -0.00565 -0.00081 -0.00368 -0.00066 99 4ZZ -0.00267 0.01495 -0.00076 0.00228 -0.00188 100 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 101 4XZ 0.00392 -0.01388 -0.00244 0.00026 0.00082 102 4YZ -0.00100 0.00203 0.00226 0.00681 -0.00837 103 13 H 1S -0.01963 0.06087 0.01282 0.01248 -0.01630 104 2S -0.04986 0.20041 0.09823 0.34456 -0.17667 105 14 H 1S 0.00219 -0.02834 0.00551 0.03637 0.00734 106 2S 0.02548 -0.04309 0.00658 0.67028 0.34987 107 15 C 1S 0.00840 0.00001 0.00000 0.05870 0.04876 108 2S -0.02052 -0.00332 0.00000 -0.10858 -0.07173 109 2PX 0.07240 0.00107 0.00000 -0.05308 -0.05283 110 2PY 0.00000 0.00001 0.06594 0.00001 -0.00002 111 2PZ -0.02597 0.02192 0.00000 -0.19215 -0.16868 112 3S -0.04375 0.02244 -0.00001 -0.80853 -0.80822 113 3PX 0.01172 0.01856 0.00000 -0.17804 -0.14555 114 3PY 0.00000 0.00002 0.11961 0.00001 -0.00004 115 3PZ 0.05634 0.04077 0.00000 -0.48237 -0.43497 116 4XX 0.01839 0.00012 0.00000 0.01075 0.00338 117 4YY 0.00229 0.00337 0.00000 0.00118 -0.00217 118 4ZZ -0.01982 -0.00331 0.00000 0.00492 0.00639 119 4XY 0.00000 0.00000 0.01363 0.00000 0.00000 120 4XZ 0.00044 0.00052 0.00000 -0.00824 -0.00557 121 4YZ 0.00000 0.00000 -0.00626 0.00000 0.00000 122 16 C 1S 0.01562 0.01168 0.05212 0.01389 -0.00961 123 2S -0.02638 -0.03786 -0.11165 -0.04164 0.00097 124 2PX 0.22000 0.15876 0.23723 0.01561 -0.06761 125 2PY 0.08633 0.03385 0.07433 0.03082 -0.05608 126 2PZ -0.17709 -0.09913 -0.20973 0.03479 -0.11984 127 3S -0.11586 0.00277 -0.27487 -0.14080 0.29374 128 3PX 0.14337 0.20316 0.31498 0.07916 -0.14867 129 3PY 0.07614 0.00781 0.23626 0.04986 -0.12635 130 3PZ -0.13604 -0.08006 -0.11701 0.10455 -0.27850 131 4XX -0.00838 0.00552 0.00422 0.00188 0.00358 132 4YY 0.00091 -0.00097 0.00406 -0.00079 -0.00558 133 4ZZ 0.01024 0.00183 0.00642 0.00347 -0.00129 134 4XY 0.01162 0.01369 -0.01144 0.00153 -0.00287 135 4XZ 0.00281 -0.01141 0.00575 -0.00155 0.00412 136 4YZ -0.01257 -0.01066 0.00816 0.00258 -0.01277 137 17 C 1S 0.01562 0.01166 -0.05213 0.01390 -0.00960 138 2S -0.02639 -0.03783 0.11167 -0.04164 0.00097 139 2PX 0.21997 0.15868 -0.23728 0.01561 -0.06763 140 2PY -0.08633 -0.03382 0.07433 -0.03082 0.05607 141 2PZ -0.17706 -0.09905 0.20976 0.03479 -0.11984 142 3S -0.11588 0.00284 0.27489 -0.14081 0.29374 143 3PX 0.14334 0.20306 -0.31505 0.07916 -0.14868 144 3PY -0.07613 -0.00774 0.23626 -0.04986 0.12632 145 3PZ -0.13601 -0.08001 0.11704 0.10455 -0.27849 146 4XX -0.00838 0.00552 -0.00422 0.00188 0.00358 147 4YY 0.00091 -0.00097 -0.00406 -0.00079 -0.00558 148 4ZZ 0.01024 0.00183 -0.00642 0.00347 -0.00128 149 4XY -0.01162 -0.01369 -0.01143 -0.00153 0.00287 150 4XZ 0.00281 -0.01142 -0.00575 -0.00155 0.00413 151 4YZ 0.01258 0.01066 0.00815 -0.00258 0.01277 152 18 H 1S 0.09040 0.00388 0.00000 0.03351 0.02902 153 2S 0.14838 0.00368 0.00000 0.46171 0.43000 154 19 H 1S 0.00987 -0.02414 0.06324 0.00917 -0.03360 155 2S 0.04022 -0.05980 0.35373 0.28048 -0.60428 156 20 H 1S 0.00984 -0.02416 -0.06324 0.00917 -0.03359 157 2S 0.04020 -0.05991 -0.35372 0.28048 -0.60424 158 21 H 1S -0.08854 -0.01615 0.00000 0.02913 0.04102 159 2S -0.16262 -0.08576 0.00002 0.84991 0.84367 160 22 O 1S -0.00599 0.00574 0.01757 0.01155 -0.00908 161 2S 0.00549 -0.00825 -0.04330 -0.03193 0.00994 162 2PX -0.18578 -0.01611 0.12501 0.01593 -0.06024 163 2PY 0.02662 0.01483 0.01597 0.01250 -0.02721 164 2PZ 0.21708 0.08072 -0.08198 0.00353 -0.00487 165 3S 0.06523 -0.07385 -0.11213 -0.11304 0.12140 166 3PX -0.15617 -0.00518 0.10853 0.03683 -0.07006 167 3PY 0.01187 0.02621 0.00829 0.07048 -0.05135 168 3PZ 0.17790 0.09789 -0.09531 0.04660 0.02230 169 4XX -0.00410 -0.00187 0.01484 -0.00271 -0.00460 170 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 171 4ZZ -0.00104 0.00593 -0.00724 -0.00046 -0.00322 172 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00353 173 4XZ 0.00027 -0.00120 0.00156 -0.01157 -0.00506 174 4YZ -0.00293 0.00122 0.00246 0.00326 0.00296 175 23 O 1S -0.00599 0.00574 -0.01758 0.01155 -0.00907 176 2S 0.00549 -0.00823 0.04331 -0.03193 0.00993 177 2PX -0.18581 -0.01616 -0.12500 0.01593 -0.06024 178 2PY -0.02663 -0.01483 0.01597 -0.01250 0.02720 179 2PZ 0.21710 0.08076 0.08196 0.00352 -0.00487 180 3S 0.06522 -0.07382 0.11215 -0.11304 0.12131 181 3PX -0.15619 -0.00522 -0.10853 0.03683 -0.07007 182 3PY -0.01188 -0.02622 0.00829 -0.07048 0.05132 183 3PZ 0.17792 0.09793 0.09528 0.04660 0.02229 184 4XX -0.00410 -0.00187 -0.01484 -0.00271 -0.00460 185 4YY -0.00348 0.00090 0.00163 -0.00300 -0.00383 186 4ZZ -0.00104 0.00593 0.00723 -0.00046 -0.00322 187 4XY -0.00705 0.00053 -0.00326 0.00059 0.00353 188 4XZ 0.00027 -0.00120 -0.00156 -0.01157 -0.00506 189 4YZ 0.00293 -0.00122 0.00246 -0.00326 -0.00296 46 47 48 49 50 V V V V V Eigenvalues -- 0.11912 0.12247 0.12316 0.13517 0.14425 1 1 C 1S -0.01237 0.01048 0.00405 -0.00802 -0.01005 2 2S 0.02179 -0.01833 -0.01701 0.02440 0.01469 3 2PX 0.20603 -0.13262 -0.04448 0.02642 0.03317 4 2PY 0.06448 -0.07552 -0.06372 -0.02522 0.00242 5 2PZ -0.09787 0.06799 -0.02124 -0.02581 0.01730 6 3S 0.13088 -0.09202 -0.00532 0.04234 0.14327 7 3PX 0.26446 -0.25828 -0.07821 0.11183 -0.05456 8 3PY 0.13867 -0.21437 -0.13767 -0.09392 -0.01972 9 3PZ -0.14762 0.01039 0.04872 -0.18962 -0.00186 10 4XX 0.00750 -0.00135 0.00521 -0.00037 -0.00387 11 4YY 0.00256 -0.00275 -0.00864 -0.00710 0.00507 12 4ZZ -0.01370 0.00797 0.00156 0.00656 -0.00245 13 4XY -0.00782 0.00721 0.01056 -0.00574 0.00282 14 4XZ 0.00239 -0.00427 0.00487 0.00070 0.00048 15 4YZ 0.00723 -0.00385 0.00075 0.00432 -0.00346 16 2 H 1S 0.01960 -0.01734 -0.02651 -0.02468 0.01511 17 2S 0.09550 -0.20021 -0.19789 -0.22099 -0.05309 18 3 C 1S -0.01465 0.01348 -0.03546 -0.01151 0.01725 19 2S 0.02910 -0.03719 0.05300 0.02269 -0.04593 20 2PX -0.20592 0.06546 -0.03821 -0.04251 -0.01094 21 2PY 0.01529 -0.01229 -0.04983 -0.01762 0.02896 22 2PZ 0.17800 -0.06681 -0.10316 0.00501 0.07774 23 3S 0.08374 -0.07656 0.54939 0.13704 -0.28566 24 3PX -0.36850 0.17505 -0.09609 -0.06046 0.04036 25 3PY -0.00911 0.03586 -0.19849 -0.03510 0.12838 26 3PZ 0.25834 -0.09605 -0.21199 -0.02197 0.10548 27 4XX 0.00907 -0.00569 -0.00671 -0.00170 0.00608 28 4YY -0.00702 0.00495 0.00453 0.00139 -0.00422 29 4ZZ -0.00668 0.00222 -0.00543 -0.00081 -0.00410 30 4XY 0.00973 -0.00316 -0.00604 -0.00813 0.00192 31 4XZ 0.00163 -0.00402 -0.00391 -0.00211 -0.00252 32 4YZ -0.00496 0.00069 -0.00978 0.00140 0.00318 33 4 H 1S -0.01557 -0.00634 -0.05053 -0.02521 0.00283 34 2S -0.04214 0.04678 -0.70998 -0.19427 0.35515 35 5 C 1S 0.01465 -0.01353 -0.03544 -0.01151 0.01725 36 2S -0.02911 0.03726 0.05295 0.02269 -0.04594 37 2PX 0.20593 -0.06552 -0.03808 -0.04252 -0.01093 38 2PY 0.01528 -0.01222 0.04986 0.01762 -0.02899 39 2PZ -0.17799 0.06667 -0.10328 0.00501 0.07776 40 3S -0.08383 0.07732 0.54926 0.13707 -0.28582 41 3PX 0.36851 -0.17520 -0.09579 -0.06047 0.04041 42 3PY -0.00914 0.03613 0.19846 0.03508 -0.12836 43 3PZ -0.25832 0.09576 -0.21215 -0.02197 0.10554 44 4XX -0.00907 0.00568 -0.00672 -0.00170 0.00609 45 4YY 0.00702 -0.00495 0.00454 0.00139 -0.00422 46 4ZZ 0.00668 -0.00223 -0.00542 -0.00081 -0.00410 47 4XY 0.00973 -0.00315 0.00605 0.00813 -0.00192 48 4XZ -0.00163 0.00402 -0.00391 -0.00211 -0.00252 49 4YZ -0.00497 0.00071 0.00978 -0.00140 -0.00318 50 6 H 1S 0.01558 0.00627 -0.05054 -0.02521 0.00283 51 2S 0.04224 -0.04777 -0.70991 -0.19428 0.35531 52 7 C 1S 0.01237 -0.01048 0.00407 -0.00803 -0.01004 53 2S -0.02179 0.01832 -0.01705 0.02441 0.01467 54 2PX -0.20603 0.13257 -0.04468 0.02642 0.03315 55 2PY 0.06447 -0.07543 0.06382 0.02524 -0.00248 56 2PZ 0.09787 -0.06803 -0.02113 -0.02581 0.01731 57 3S -0.13089 0.09211 -0.00548 0.04240 0.14304 58 3PX -0.26444 0.25821 -0.07859 0.11183 -0.05458 59 3PY 0.13865 -0.21417 0.13794 0.09399 0.01954 60 3PZ 0.14762 -0.01034 0.04876 -0.18963 -0.00185 61 4XX -0.00750 0.00135 0.00520 -0.00037 -0.00387 62 4YY -0.00256 0.00274 -0.00864 -0.00710 0.00507 63 4ZZ 0.01370 -0.00797 0.00158 0.00656 -0.00245 64 4XY -0.00782 0.00720 -0.01057 0.00574 -0.00282 65 4XZ -0.00239 0.00428 0.00487 0.00070 0.00048 66 4YZ 0.00723 -0.00385 -0.00074 -0.00432 0.00346 67 8 H 1S -0.01959 0.01730 -0.02653 -0.02468 0.01512 68 2S -0.09547 0.19987 -0.19813 -0.22108 -0.05276 69 9 C 1S -0.00833 -0.02072 0.01871 -0.03954 -0.00564 70 2S 0.00744 0.00486 -0.01715 0.04340 0.00173 71 2PX 0.04535 0.02622 0.11931 -0.11342 0.09440 72 2PY 0.05790 -0.05324 0.02591 -0.06766 -0.01918 73 2PZ 0.02612 0.01151 -0.14050 0.08816 0.01751 74 3S 0.13260 0.44578 -0.40105 0.70587 0.14597 75 3PX 0.14950 0.08497 0.34166 -0.30774 0.28099 76 3PY 0.15405 -0.10131 0.13721 -0.19201 -0.03913 77 3PZ 0.04692 -0.01298 -0.36394 0.20459 0.03927 78 4XX -0.00359 -0.00002 0.00593 -0.00342 -0.00483 79 4YY -0.00717 0.00138 0.00094 -0.00205 -0.00170 80 4ZZ 0.00919 -0.00880 -0.00219 -0.00287 0.00399 81 4XY -0.00507 0.00125 0.01139 -0.00253 0.00577 82 4XZ -0.00813 0.00744 -0.01280 -0.00043 0.00028 83 4YZ -0.00191 0.00065 -0.00399 0.00403 0.00053 84 10 H 1S 0.04420 -0.03878 0.06349 -0.02405 0.01626 85 2S 0.19246 -0.20966 0.88272 -0.81904 0.17543 86 11 H 1S -0.02395 0.01419 -0.03254 0.00353 -0.02960 87 2S -0.18987 -0.24081 -0.18537 -0.04964 -0.45212 88 12 C 1S 0.00832 0.02075 0.01868 -0.03954 -0.00564 89 2S -0.00743 -0.00488 -0.01714 0.04340 0.00174 90 2PX -0.04538 -0.02608 0.11934 -0.11341 0.09439 91 2PY 0.05791 -0.05327 -0.02583 0.06766 0.01915 92 2PZ -0.02609 -0.01168 -0.14049 0.08817 0.01749 93 3S -0.13252 -0.44630 -0.40051 0.70595 0.14584 94 3PX -0.14958 -0.08458 0.34176 -0.30772 0.28095 95 3PY 0.15408 -0.10150 -0.13703 0.19199 0.03914 96 3PZ -0.04684 0.01253 -0.36395 0.20459 0.03925 97 4XX 0.00359 0.00003 0.00593 -0.00342 -0.00483 98 4YY 0.00717 -0.00138 0.00095 -0.00205 -0.00170 99 4ZZ -0.00919 0.00879 -0.00220 -0.00287 0.00399 100 4XY -0.00507 0.00124 -0.01139 0.00253 -0.00577 101 4XZ 0.00813 -0.00746 -0.01279 -0.00043 0.00028 102 4YZ -0.00191 0.00065 0.00399 -0.00403 -0.00053 103 13 H 1S -0.04421 0.03885 0.06344 -0.02405 0.01626 104 2S -0.19265 0.21073 0.88242 -0.81904 0.17548 105 14 H 1S 0.02396 -0.01423 -0.03251 0.00353 -0.02959 106 2S 0.18992 0.24061 -0.18565 -0.04968 -0.45202 107 15 C 1S 0.00000 0.00001 0.00921 0.05798 0.06464 108 2S 0.00000 -0.00003 -0.04197 -0.09739 -0.09110 109 2PX 0.00001 -0.00005 -0.09013 -0.07805 -0.24160 110 2PY 0.23008 0.34539 -0.00020 -0.00001 0.00000 111 2PZ 0.00000 0.00002 0.03450 0.03552 0.13742 112 3S -0.00003 -0.00011 -0.08856 -0.79245 -0.99141 113 3PX 0.00003 -0.00020 -0.33390 -0.13266 -0.61734 114 3PY 0.62941 0.88678 -0.00051 -0.00003 0.00001 115 3PZ 0.00000 0.00005 0.07167 0.07122 0.31648 116 4XX 0.00000 0.00000 0.00473 0.00394 0.01355 117 4YY 0.00000 0.00000 0.00131 0.00813 -0.00620 118 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 119 4XY 0.01721 0.01384 -0.00001 0.00000 0.00000 120 4XZ 0.00000 0.00000 -0.00444 0.00494 0.00598 121 4YZ 0.01059 0.02304 -0.00001 0.00000 0.00000 122 16 C 1S 0.04790 -0.00508 0.00434 0.02436 0.04020 123 2S -0.10823 0.00110 -0.02721 -0.02954 -0.08334 124 2PX 0.05919 -0.25292 0.06318 0.06634 -0.11904 125 2PY 0.09248 0.04938 0.00971 0.09770 0.05143 126 2PZ -0.10893 0.05772 0.08011 0.17976 -0.10594 127 3S -0.37676 0.13823 -0.07344 -0.54029 -0.46685 128 3PX 0.18366 -0.44316 0.14798 0.22745 -0.28785 129 3PY 0.15740 0.23060 0.04375 0.24365 0.21895 130 3PZ 0.02124 0.07050 0.19167 0.38938 -0.20637 131 4XX 0.00752 -0.00248 -0.00621 0.00003 0.00834 132 4YY -0.00154 -0.00781 -0.00049 0.00529 -0.01141 133 4ZZ 0.00679 0.00144 0.00663 0.00097 0.00472 134 4XY 0.00020 0.01186 0.00432 0.01082 -0.01372 135 4XZ 0.00125 0.00906 -0.00760 0.00082 0.01366 136 4YZ 0.00254 -0.00011 0.01331 0.01507 -0.01041 137 17 C 1S -0.04790 0.00508 0.00433 0.02436 0.04021 138 2S 0.10823 -0.00114 -0.02719 -0.02954 -0.08335 139 2PX -0.05920 0.25301 0.06284 0.06633 -0.11905 140 2PY 0.09248 0.04937 -0.00976 -0.09771 -0.05143 141 2PZ 0.10892 -0.05761 0.08021 0.17975 -0.10591 142 3S 0.37677 -0.13832 -0.07320 -0.54026 -0.46704 143 3PX -0.18370 0.44337 0.14737 0.22741 -0.28784 144 3PY 0.15740 0.23055 -0.04403 -0.24367 -0.21891 145 3PZ -0.02126 -0.07025 0.19179 0.38935 -0.20626 146 4XX -0.00752 0.00248 -0.00621 0.00003 0.00834 147 4YY 0.00154 0.00781 -0.00050 0.00529 -0.01141 148 4ZZ -0.00679 -0.00143 0.00663 0.00097 0.00472 149 4XY 0.00020 0.01185 -0.00433 -0.01083 0.01372 150 4XZ -0.00124 -0.00906 -0.00759 0.00082 0.01366 151 4YZ 0.00254 -0.00013 -0.01331 -0.01507 0.01041 152 18 H 1S 0.00000 0.00001 0.01439 0.00763 0.07888 153 2S -0.00002 0.00030 0.46024 0.60006 1.41867 154 19 H 1S 0.04700 0.03206 0.03818 0.05617 -0.00895 155 2S 0.41335 0.11544 0.35424 0.94726 0.08374 156 20 H 1S -0.04701 -0.03201 0.03822 0.05617 -0.00895 157 2S -0.41339 -0.11501 0.35434 0.94722 0.08391 158 21 H 1S 0.00000 -0.00001 -0.01378 0.00904 0.02092 159 2S 0.00004 -0.00005 -0.15943 0.24464 -0.09549 160 22 O 1S 0.04260 0.06515 0.01856 0.00215 -0.04986 161 2S -0.06990 -0.08806 -0.03269 -0.01866 0.07550 162 2PX -0.00246 -0.09462 0.07732 0.07941 -0.09371 163 2PY 0.07185 0.08531 0.04925 -0.00015 -0.07186 164 2PZ -0.07590 -0.04147 0.01112 0.03755 -0.10706 165 3S -0.45051 -0.81197 -0.23613 -0.00192 0.59837 166 3PX -0.05218 -0.13182 0.12576 0.14095 -0.12566 167 3PY 0.13524 0.21622 0.10602 0.02023 -0.15269 168 3PZ -0.13552 -0.06290 0.01448 0.05124 -0.19972 169 4XX 0.02431 0.02269 0.00576 -0.00589 -0.02161 170 4YY 0.00318 0.01304 -0.00002 -0.00295 -0.01109 171 4ZZ 0.01358 0.03598 0.00572 -0.00765 -0.01768 172 4XY 0.00078 -0.00036 0.00395 0.00725 0.00874 173 4XZ 0.00912 0.00776 -0.00539 -0.00309 -0.00242 174 4YZ 0.00294 0.00176 -0.00259 0.00064 -0.00282 175 23 O 1S -0.04260 -0.06512 0.01864 0.00216 -0.04986 176 2S 0.06991 0.08802 -0.03279 -0.01867 0.07551 177 2PX 0.00245 0.09472 0.07720 0.07941 -0.09371 178 2PY 0.07186 0.08525 -0.04934 0.00015 0.07186 179 2PZ 0.07590 0.04150 0.01108 0.03754 -0.10704 180 3S 0.45057 0.81166 -0.23708 -0.00199 0.59842 181 3PX 0.05216 0.13199 0.12559 0.14094 -0.12566 182 3PY 0.13526 0.21609 -0.10627 -0.02025 0.15271 183 3PZ 0.13552 0.06295 0.01442 0.05123 -0.19969 184 4XX -0.02432 -0.02269 0.00579 -0.00589 -0.02161 185 4YY -0.00318 -0.01304 0.00000 -0.00295 -0.01109 186 4ZZ -0.01358 -0.03598 0.00577 -0.00764 -0.01768 187 4XY 0.00078 -0.00037 -0.00395 -0.00725 -0.00874 188 4XZ -0.00912 -0.00777 -0.00538 -0.00309 -0.00242 189 4YZ 0.00294 0.00177 0.00258 -0.00064 0.00282 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16393 0.17145 0.17764 0.19270 1 1 C 1S -0.04503 -0.01266 -0.08276 -0.00568 -0.01579 2 2S 0.06345 0.01525 0.09997 0.03023 0.05217 3 2PX 0.07405 -0.05075 -0.02183 -0.03490 0.00213 4 2PY -0.20025 -0.00286 -0.07370 -0.05774 0.07584 5 2PZ -0.04239 0.03323 0.10837 -0.03265 -0.03258 6 3S 0.86609 0.25007 1.44151 -0.00771 -0.00368 7 3PX 0.12929 -0.09739 -0.09374 -0.07803 -0.09254 8 3PY -0.60178 0.06323 -0.25374 -0.33147 0.02664 9 3PZ -0.00884 0.04832 0.22289 -0.36982 -0.04470 10 4XX -0.00488 0.00115 -0.00527 0.00107 -0.00506 11 4YY -0.00187 0.00042 -0.00065 0.00266 0.01113 12 4ZZ -0.00171 -0.00448 -0.01048 -0.00257 -0.00738 13 4XY 0.00121 -0.00341 0.00076 0.00455 0.00474 14 4XZ 0.00652 -0.00018 -0.00084 -0.00031 -0.00377 15 4YZ -0.00442 -0.00438 -0.00510 0.01351 0.00339 16 2 H 1S -0.02117 0.00174 -0.02365 0.01784 0.04065 17 2S -1.13254 -0.02741 -0.85858 -0.32478 0.14153 18 3 C 1S -0.02425 0.01338 0.03541 0.04224 0.05798 19 2S 0.03791 0.03154 -0.03286 -0.06379 -0.07425 20 2PX -0.06623 0.07765 0.04055 -0.02967 0.07377 21 2PY -0.06666 0.04452 0.08615 -0.01236 0.06308 22 2PZ -0.06128 0.00044 0.03380 0.05979 0.06881 23 3S 0.58891 -0.40500 -0.73725 -0.58811 -0.87209 24 3PX -0.25314 0.05581 0.05165 0.06326 0.24390 25 3PY 0.06280 0.14022 0.35788 0.05291 0.20171 26 3PZ -0.23345 0.02440 0.02648 0.27862 0.43126 27 4XX -0.00007 -0.00263 -0.00020 -0.00112 0.00856 28 4YY 0.00806 0.00632 -0.00048 0.01160 0.00478 29 4ZZ -0.00483 0.00782 0.00684 -0.00001 0.00218 30 4XY 0.00076 0.00554 0.00139 0.00028 -0.00198 31 4XZ 0.00005 0.00676 0.00326 -0.00108 0.00454 32 4YZ 0.00102 -0.00217 -0.00822 -0.00325 -0.00261 33 4 H 1S -0.00643 0.03751 0.01579 0.00137 0.04624 34 2S -0.59140 0.33069 0.60726 0.47258 1.01102 35 5 C 1S 0.02425 0.01338 0.03541 -0.04223 -0.05798 36 2S -0.03790 0.03155 -0.03286 0.06379 0.07425 37 2PX 0.06623 0.07765 0.04055 0.02967 -0.07377 38 2PY -0.06666 -0.04452 -0.08615 -0.01236 0.06309 39 2PZ 0.06126 0.00044 0.03380 -0.05979 -0.06880 40 3S -0.58885 -0.40499 -0.73727 0.58808 0.87211 41 3PX 0.25312 0.05579 0.05165 -0.06326 -0.24389 42 3PY 0.06282 -0.14021 -0.35788 0.05291 0.20173 43 3PZ 0.23343 0.02438 0.02646 -0.27862 -0.43125 44 4XX 0.00007 -0.00263 -0.00020 0.00112 -0.00857 45 4YY -0.00806 0.00632 -0.00048 -0.01160 -0.00478 46 4ZZ 0.00483 0.00782 0.00684 0.00001 -0.00218 47 4XY 0.00076 -0.00554 -0.00139 0.00028 -0.00198 48 4XZ -0.00005 0.00676 0.00326 0.00108 -0.00454 49 4YZ 0.00102 0.00217 0.00822 -0.00325 -0.00261 50 6 H 1S 0.00643 0.03751 0.01579 -0.00137 -0.04624 51 2S 0.59131 0.33066 0.60726 -0.47257 -1.01103 52 7 C 1S 0.04504 -0.01266 -0.08275 0.00567 0.01579 53 2S -0.06345 0.01524 0.09996 -0.03023 -0.05217 54 2PX -0.07406 -0.05075 -0.02184 0.03490 -0.00213 55 2PY -0.20025 0.00287 0.07370 -0.05774 0.07584 56 2PZ 0.04237 0.03323 0.10837 0.03265 0.03259 57 3S -0.86614 0.25010 1.44150 0.00774 0.00366 58 3PX -0.12928 -0.09740 -0.09376 0.07802 0.09255 59 3PY -0.60179 -0.06323 0.25374 -0.33148 0.02665 60 3PZ 0.00880 0.04832 0.22290 0.36981 0.04469 61 4XX 0.00488 0.00115 -0.00527 -0.00107 0.00506 62 4YY 0.00187 0.00042 -0.00065 -0.00267 -0.01113 63 4ZZ 0.00171 -0.00448 -0.01048 0.00257 0.00738 64 4XY 0.00122 0.00341 -0.00076 0.00455 0.00474 65 4XZ -0.00652 -0.00018 -0.00084 0.00032 0.00377 66 4YZ -0.00442 0.00438 0.00510 0.01351 0.00339 67 8 H 1S 0.02117 0.00174 -0.02365 -0.01784 -0.04065 68 2S 1.13256 -0.02744 -0.85858 0.32476 -0.14153 69 9 C 1S -0.00351 -0.00216 0.03762 -0.11464 -0.00885 70 2S -0.02170 -0.01212 -0.03723 0.09201 -0.00018 71 2PX 0.03249 -0.01442 0.09145 0.00514 0.01480 72 2PY -0.07347 -0.00885 0.04080 0.04680 0.09719 73 2PZ 0.05408 0.08221 0.06554 0.10605 0.01347 74 3S 0.25062 0.12649 -0.62767 2.23047 0.21142 75 3PX 0.11647 0.05107 0.31197 -0.07392 0.16607 76 3PY 0.05581 -0.03174 0.28545 0.46122 0.31966 77 3PZ 0.09326 0.16420 0.27488 0.21922 -0.05643 78 4XX -0.00716 0.00076 -0.00269 -0.00209 0.00103 79 4YY 0.00723 -0.00271 -0.00300 -0.01886 -0.00931 80 4ZZ -0.00476 -0.00096 0.01230 -0.00191 0.00650 81 4XY -0.00052 0.00302 0.01178 0.00046 -0.00074 82 4XZ -0.00385 -0.00085 0.00567 0.00039 0.00394 83 4YZ 0.00037 0.00451 0.01440 -0.00167 -0.00249 84 10 H 1S 0.00951 -0.00344 -0.00525 -0.00689 0.01236 85 2S -0.07287 -0.20820 0.31201 -0.87865 0.19321 86 11 H 1S -0.02072 -0.01301 -0.03988 -0.00289 0.00959 87 2S -0.25982 -0.16304 -0.16953 -0.67503 0.00798 88 12 C 1S 0.00351 -0.00217 0.03762 0.11464 0.00885 89 2S 0.02171 -0.01212 -0.03722 -0.09202 0.00018 90 2PX -0.03253 -0.01442 0.09145 -0.00514 -0.01480 91 2PY -0.07347 0.00886 -0.04080 0.04680 0.09720 92 2PZ -0.05407 0.08221 0.06554 -0.10604 -0.01347 93 3S -0.25058 0.12653 -0.62763 -2.23046 -0.21138 94 3PX -0.11658 0.05107 0.31196 0.07393 -0.16608 95 3PY 0.05583 0.03174 -0.28545 0.46122 0.31967 96 3PZ -0.09325 0.16423 0.27489 -0.21919 0.05643 97 4XX 0.00716 0.00076 -0.00269 0.00209 -0.00103 98 4YY -0.00723 -0.00270 -0.00300 0.01886 0.00931 99 4ZZ 0.00476 -0.00096 0.01230 0.00191 -0.00651 100 4XY -0.00052 -0.00302 -0.01178 0.00046 -0.00074 101 4XZ 0.00385 -0.00085 0.00567 -0.00039 -0.00394 102 4YZ 0.00037 -0.00451 -0.01440 -0.00167 -0.00249 103 13 H 1S -0.00952 -0.00344 -0.00525 0.00689 -0.01236 104 2S 0.07274 -0.20824 0.31198 0.87864 -0.19324 105 14 H 1S 0.02072 -0.01302 -0.03989 0.00289 -0.00959 106 2S 0.25994 -0.16307 -0.16955 0.67503 -0.00798 107 15 C 1S -0.00001 -0.01534 0.03929 0.00000 0.00000 108 2S 0.00001 0.02428 -0.06081 0.00000 0.00000 109 2PX 0.00003 -0.32173 0.16667 0.00000 0.00000 110 2PY 0.00263 0.00000 0.00000 -0.14832 0.09936 111 2PZ -0.00002 0.03865 -0.04020 -0.00001 0.00000 112 3S 0.00012 -0.02610 -0.49215 0.00001 0.00003 113 3PX 0.00007 -0.87125 0.49148 -0.00001 0.00000 114 3PY 0.00434 0.00001 -0.00001 -0.27913 0.20278 115 3PZ -0.00005 0.03095 -0.04325 -0.00001 -0.00001 116 4XX 0.00000 0.00021 -0.00487 0.00000 0.00000 117 4YY 0.00000 0.00354 0.01189 0.00000 0.00000 118 4ZZ 0.00000 -0.00501 -0.00249 0.00000 0.00000 119 4XY -0.00083 0.00000 0.00000 -0.01055 0.00499 120 4XZ 0.00000 -0.01429 0.00539 0.00000 0.00000 121 4YZ -0.00494 0.00000 0.00000 -0.00686 -0.00109 122 16 C 1S -0.03255 -0.05603 -0.00421 0.01471 -0.06492 123 2S 0.03712 0.09076 0.02009 -0.01509 0.09272 124 2PX 0.05914 0.06264 0.05499 0.02282 0.02885 125 2PY -0.01606 -0.12461 -0.02513 -0.03169 -0.01156 126 2PZ -0.13291 0.01292 0.08413 0.07710 -0.20242 127 3S 0.64259 0.90691 -0.10804 -0.25954 1.08640 128 3PX -0.00622 0.24229 0.12494 0.14352 -0.17566 129 3PY 0.04390 -0.44246 0.09457 0.02075 -0.01101 130 3PZ -0.45761 0.03531 0.16412 0.30155 -0.68627 131 4XX -0.00607 -0.00892 -0.00392 0.00026 -0.00873 132 4YY -0.00410 0.00892 -0.00009 0.01067 -0.01364 133 4ZZ 0.00078 -0.00114 0.00303 -0.00264 0.00178 134 4XY -0.00230 0.00447 0.00854 -0.00277 -0.00030 135 4XZ -0.00459 -0.01415 -0.00532 0.00130 -0.00699 136 4YZ 0.00612 0.01153 0.00979 -0.00384 0.01064 137 17 C 1S 0.03254 -0.05603 -0.00421 -0.01471 0.06492 138 2S -0.03710 0.09076 0.02009 0.01509 -0.09272 139 2PX -0.05911 0.06265 0.05498 -0.02281 -0.02886 140 2PY -0.01606 0.12462 0.02512 -0.03168 -0.01157 141 2PZ 0.13295 0.01293 0.08414 -0.07710 0.20242 142 3S -0.64247 0.90691 -0.10803 0.25956 -1.08645 143 3PX 0.00631 0.24232 0.12494 -0.14350 0.17564 144 3PY 0.04394 0.44244 -0.09459 0.02077 -0.01107 145 3PZ 0.45770 0.03535 0.16414 -0.30154 0.68628 146 4XX 0.00607 -0.00892 -0.00392 -0.00027 0.00873 147 4YY 0.00410 0.00892 -0.00009 -0.01067 0.01364 148 4ZZ -0.00078 -0.00114 0.00303 0.00264 -0.00178 149 4XY -0.00230 -0.00446 -0.00854 -0.00277 -0.00029 150 4XZ 0.00459 -0.01415 -0.00532 -0.00130 0.00699 151 4YZ 0.00612 -0.01153 -0.00979 -0.00384 0.01064 152 18 H 1S -0.00001 0.01466 -0.03337 0.00000 0.00000 153 2S -0.00018 1.06691 -0.40215 0.00000 -0.00002 154 19 H 1S 0.00140 -0.00541 0.04190 -0.00115 -0.01947 155 2S -0.65978 -0.66006 0.31965 0.36298 -1.14787 156 20 H 1S -0.00139 -0.00541 0.04190 0.00115 0.01946 157 2S 0.65981 -0.66002 0.31968 -0.36297 1.14791 158 21 H 1S 0.00000 -0.02512 -0.00114 0.00000 0.00000 159 2S 0.00002 -0.41364 0.49946 0.00000 0.00001 160 22 O 1S 0.00158 0.05756 -0.00661 -0.01641 0.01095 161 2S 0.00093 -0.07983 0.00186 0.00463 -0.00172 162 2PX 0.01523 0.12667 0.05178 0.04750 -0.02945 163 2PY -0.03312 0.10940 -0.03795 -0.04557 -0.01504 164 2PZ -0.05334 0.05940 0.08784 0.00971 -0.07347 165 3S -0.05063 -0.76977 0.12853 0.29176 -0.22628 166 3PX 0.04420 0.28546 0.07407 0.02561 0.00311 167 3PY -0.00800 0.23083 -0.10401 -0.08172 0.04537 168 3PZ -0.07015 0.10959 0.13214 0.04115 -0.11083 169 4XX 0.00041 0.01875 0.00123 -0.01399 0.00844 170 4YY 0.00368 0.01341 -0.00495 -0.00846 0.00864 171 4ZZ -0.00379 0.02487 -0.00494 -0.00870 -0.00015 172 4XY -0.00258 -0.00367 0.00285 0.00136 -0.00432 173 4XZ -0.00419 -0.00496 0.00568 -0.00708 -0.00279 174 4YZ 0.00053 -0.00851 0.00258 0.00567 -0.00325 175 23 O 1S -0.00156 0.05755 -0.00661 0.01642 -0.01095 176 2S -0.00095 -0.07983 0.00186 -0.00463 0.00172 177 2PX -0.01520 0.12667 0.05178 -0.04750 0.02944 178 2PY -0.03315 -0.10940 0.03795 -0.04558 -0.01505 179 2PZ 0.05337 0.05939 0.08785 -0.00971 0.07346 180 3S 0.05045 -0.76975 0.12853 -0.29180 0.22629 181 3PX -0.04415 0.28546 0.07406 -0.02561 -0.00313 182 3PY -0.00806 -0.23083 0.10400 -0.08174 0.04536 183 3PZ 0.07021 0.10958 0.13214 -0.04114 0.11082 184 4XX -0.00040 0.01875 0.00123 0.01399 -0.00844 185 4YY -0.00368 0.01341 -0.00495 0.00846 -0.00864 186 4ZZ 0.00380 0.02487 -0.00494 0.00870 0.00015 187 4XY -0.00258 0.00367 -0.00285 0.00136 -0.00432 188 4XZ 0.00419 -0.00496 0.00568 0.00708 0.00279 189 4YZ 0.00053 0.00851 -0.00258 0.00567 -0.00325 56 57 58 59 60 V V V V V Eigenvalues -- 0.19772 0.20300 0.22882 0.23611 0.24270 1 1 C 1S -0.03052 -0.05348 0.01375 -0.01868 0.04414 2 2S 0.04322 0.08632 -0.01766 0.04378 -0.05050 3 2PX 0.01101 0.00093 0.00245 0.02466 -0.03683 4 2PY -0.05152 -0.10985 0.09693 0.00655 -0.18689 5 2PZ 0.01429 0.00155 0.07660 0.00960 -0.19043 6 3S 0.45844 0.53116 -0.24944 0.23449 -0.78722 7 3PX 0.11772 0.07112 0.00378 0.38208 -0.21719 8 3PY -0.24764 -0.72515 0.46555 -0.09211 -0.92305 9 3PZ 0.08133 -0.08535 0.24930 0.03430 -0.84092 10 4XX -0.00320 0.00113 0.00296 -0.00542 0.00220 11 4YY -0.00205 -0.00461 -0.00279 0.00545 -0.00022 12 4ZZ -0.00168 -0.00894 0.00262 -0.00162 0.00441 13 4XY -0.00205 0.00611 0.00355 -0.01081 0.00140 14 4XZ -0.00275 -0.00723 0.00845 -0.01200 0.00158 15 4YZ 0.00097 0.00099 -0.00727 0.00211 0.00512 16 2 H 1S -0.01809 -0.06791 0.00167 0.02131 -0.00968 17 2S -0.47624 -1.08990 0.63222 -0.17197 -0.74630 18 3 C 1S 0.00900 0.05857 -0.01513 -0.01034 0.00712 19 2S -0.03621 -0.13599 0.05889 0.00292 0.00077 20 2PX -0.01195 0.02094 0.00031 -0.04968 0.06869 21 2PY 0.01277 0.01848 -0.02958 0.05793 0.09813 22 2PZ 0.02816 0.07634 0.02540 0.02007 0.09167 23 3S -0.05659 -0.42259 0.20945 0.49185 -0.42320 24 3PX 0.04406 0.39510 -0.02951 -0.03040 0.24392 25 3PY 0.08893 0.33948 -0.20610 0.27310 0.33919 26 3PZ 0.06019 0.60393 -0.09238 0.10199 0.42534 27 4XX 0.00059 -0.00135 0.00293 0.00345 -0.00451 28 4YY -0.00388 0.01272 0.00467 -0.00661 0.01299 29 4ZZ 0.00042 -0.00281 -0.00175 0.00601 -0.00899 30 4XY -0.00419 -0.00326 0.00698 0.00146 -0.00908 31 4XZ -0.00139 -0.00016 0.00310 0.00589 -0.01242 32 4YZ -0.00225 -0.00691 0.00326 -0.00123 0.00232 33 4 H 1S -0.00959 0.01866 0.01218 0.02154 -0.03808 34 2S 0.17265 1.03813 -0.22541 0.06070 0.72506 35 5 C 1S 0.00900 -0.05857 -0.01513 0.01035 0.00712 36 2S -0.03622 0.13599 0.05889 -0.00292 0.00077 37 2PX -0.01195 -0.02094 0.00031 0.04969 0.06868 38 2PY -0.01277 0.01848 0.02958 0.05792 -0.09814 39 2PZ 0.02816 -0.07634 0.02540 -0.02006 0.09166 40 3S -0.05660 0.42259 0.20940 -0.49189 -0.42315 41 3PX 0.04408 -0.39510 -0.02951 0.03045 0.24389 42 3PY -0.08894 0.33951 0.20612 0.27306 -0.33922 43 3PZ 0.06021 -0.60392 -0.09238 -0.10191 0.42531 44 4XX 0.00059 0.00135 0.00293 -0.00345 -0.00451 45 4YY -0.00388 -0.01272 0.00467 0.00661 0.01299 46 4ZZ 0.00042 0.00281 -0.00175 -0.00601 -0.00899 47 4XY 0.00419 -0.00326 -0.00698 0.00146 0.00908 48 4XZ -0.00138 0.00016 0.00310 -0.00589 -0.01242 49 4YZ 0.00225 -0.00691 -0.00326 -0.00123 -0.00231 50 6 H 1S -0.00959 -0.01866 0.01218 -0.02154 -0.03808 51 2S 0.17269 -1.03814 -0.22541 -0.06060 0.72502 52 7 C 1S -0.03052 0.05348 0.01375 0.01868 0.04414 53 2S 0.04322 -0.08632 -0.01766 -0.04378 -0.05050 54 2PX 0.01101 -0.00093 0.00245 -0.02466 -0.03683 55 2PY 0.05152 -0.10985 -0.09693 0.00658 0.18690 56 2PZ 0.01429 -0.00156 0.07659 -0.00962 -0.19042 57 3S 0.45844 -0.53116 -0.24942 -0.23459 -0.78720 58 3PX 0.11773 -0.07113 0.00375 -0.38210 -0.21714 59 3PY 0.24765 -0.72516 -0.46556 -0.09197 0.92311 60 3PZ 0.08134 0.08532 0.24928 -0.03441 -0.84090 61 4XX -0.00320 -0.00113 0.00296 0.00542 0.00220 62 4YY -0.00205 0.00461 -0.00280 -0.00545 -0.00022 63 4ZZ -0.00168 0.00894 0.00262 0.00162 0.00441 64 4XY 0.00205 0.00611 -0.00355 -0.01081 -0.00140 65 4XZ -0.00275 0.00723 0.00845 0.01200 0.00158 66 4YZ -0.00097 0.00099 0.00727 0.00211 -0.00512 67 8 H 1S -0.01809 0.06790 0.00167 -0.02132 -0.00968 68 2S -0.47625 1.08991 0.63222 0.17185 -0.74633 69 9 C 1S 0.01304 0.06057 -0.03032 0.01376 -0.06141 70 2S -0.02079 -0.09495 0.05562 -0.02945 0.05118 71 2PX -0.03110 0.01283 0.10586 -0.29937 0.01829 72 2PY 0.00831 0.00088 -0.06494 0.01537 -0.07076 73 2PZ 0.03357 -0.03294 0.07398 0.13078 -0.09953 74 3S -0.24291 -0.66966 0.47707 -0.12105 1.28338 75 3PX -0.05979 -0.05717 0.48390 -1.18909 -0.09082 76 3PY 0.14223 0.13785 -0.19367 0.13323 -0.33053 77 3PZ 0.06385 -0.24744 0.33083 0.49716 -0.81938 78 4XX 0.00235 0.00183 -0.01518 -0.00176 0.01034 79 4YY -0.00335 0.01050 0.00252 0.00077 0.00190 80 4ZZ 0.00080 0.00519 0.00881 0.00321 -0.02402 81 4XY 0.00134 0.00160 0.01772 0.00761 0.00047 82 4XZ 0.00081 0.00284 -0.00780 0.00144 -0.01385 83 4YZ 0.00611 0.00323 0.00287 -0.00410 -0.01218 84 10 H 1S -0.00473 0.01118 0.03974 -0.02671 0.06575 85 2S -0.02469 0.52571 -0.10364 -1.20367 0.08375 86 11 H 1S -0.00012 0.02508 -0.12078 0.03225 0.02531 87 2S 0.16776 0.45038 -1.03026 1.22650 -0.28757 88 12 C 1S 0.01304 -0.06057 -0.03032 -0.01377 -0.06142 89 2S -0.02079 0.09495 0.05562 0.02945 0.05118 90 2PX -0.03110 -0.01283 0.10588 0.29937 0.01826 91 2PY -0.00832 0.00088 0.06494 0.01538 0.07074 92 2PZ 0.03357 0.03295 0.07398 -0.13078 -0.09953 93 3S -0.24288 0.66966 0.47710 0.12116 1.28344 94 3PX -0.05979 0.05716 0.48397 1.18906 -0.09093 95 3PY -0.14225 0.13784 0.19364 0.13325 0.33043 96 3PZ 0.06384 0.24745 0.33083 -0.49725 -0.81937 97 4XX 0.00235 -0.00183 -0.01518 0.00176 0.01034 98 4YY -0.00335 -0.01050 0.00252 -0.00077 0.00189 99 4ZZ 0.00080 -0.00519 0.00881 -0.00322 -0.02402 100 4XY -0.00134 0.00160 -0.01772 0.00761 -0.00047 101 4XZ 0.00081 -0.00284 -0.00780 -0.00144 -0.01384 102 4YZ -0.00611 0.00323 -0.00287 -0.00410 0.01218 103 13 H 1S -0.00472 -0.01118 0.03974 0.02671 0.06575 104 2S -0.02469 -0.52571 -0.10357 1.20369 0.08367 105 14 H 1S -0.00012 -0.02508 -0.12078 -0.03224 0.02532 106 2S 0.16775 -0.45038 -1.03034 -1.22646 -0.28738 107 15 C 1S -0.13282 0.00000 0.00662 0.00000 0.01030 108 2S 0.21011 0.00000 0.02134 0.00000 -0.03314 109 2PX -0.15664 0.00000 -0.02959 0.00001 0.03792 110 2PY 0.00001 0.00203 0.00001 0.12162 -0.00001 111 2PZ -0.15340 0.00000 -0.33564 0.00001 -0.14382 112 3S 1.81062 0.00000 -0.42634 0.00000 -0.21205 113 3PX -0.64682 0.00000 0.08731 0.00001 0.07294 114 3PY 0.00003 -0.15175 0.00002 0.09321 0.00001 115 3PZ -0.60672 0.00000 -0.96123 0.00001 -0.34992 116 4XX 0.01715 0.00000 -0.00423 0.00000 -0.00518 117 4YY -0.03106 0.00000 -0.00886 0.00000 -0.00536 118 4ZZ 0.00856 0.00000 0.02076 0.00000 0.00600 119 4XY 0.00000 0.00317 0.00000 0.01283 0.00000 120 4XZ -0.02412 0.00000 -0.00910 0.00000 -0.00451 121 4YZ 0.00000 0.00102 0.00000 0.00585 0.00000 122 16 C 1S 0.04181 0.03038 -0.00035 0.00396 -0.01075 123 2S -0.08468 -0.07268 -0.02227 -0.00833 0.01297 124 2PX -0.05172 -0.00311 -0.02248 -0.02247 -0.00379 125 2PY 0.12672 0.03616 0.00689 0.02654 -0.02177 126 2PZ -0.00520 0.08509 -0.00855 -0.03443 -0.02701 127 3S -0.53986 -0.21788 0.07297 0.01539 0.18134 128 3PX -0.08829 0.10870 0.04741 0.00919 -0.02862 129 3PY 0.20087 0.38266 -0.05317 0.08060 -0.06305 130 3PZ -0.03331 0.37444 0.00280 -0.06886 -0.00097 131 4XX 0.00132 0.00560 -0.00473 0.00671 -0.00380 132 4YY 0.00335 0.00683 0.00172 -0.00169 0.00111 133 4ZZ 0.00172 -0.00097 0.00022 -0.00122 0.00002 134 4XY -0.01154 0.00104 -0.00282 0.00372 0.00426 135 4XZ -0.00065 0.00172 -0.00252 0.00325 0.00118 136 4YZ -0.01108 -0.00490 -0.00438 0.00103 -0.00160 137 17 C 1S 0.04181 -0.03038 -0.00035 -0.00396 -0.01075 138 2S -0.08467 0.07268 -0.02227 0.00833 0.01297 139 2PX -0.05172 0.00312 -0.02247 0.02247 -0.00379 140 2PY -0.12671 0.03616 -0.00688 0.02654 0.02176 141 2PZ -0.00521 -0.08509 -0.00855 0.03442 -0.02702 142 3S -0.53981 0.21788 0.07300 -0.01536 0.18136 143 3PX -0.08829 -0.10869 0.04742 -0.00921 -0.02863 144 3PY -0.20087 0.38268 0.05317 0.08061 0.06304 145 3PZ -0.03333 -0.37443 0.00280 0.06886 -0.00099 146 4XX 0.00132 -0.00560 -0.00474 -0.00671 -0.00380 147 4YY 0.00335 -0.00683 0.00172 0.00169 0.00111 148 4ZZ 0.00173 0.00097 0.00022 0.00122 0.00002 149 4XY 0.01154 0.00104 0.00282 0.00372 -0.00426 150 4XZ -0.00065 -0.00172 -0.00252 -0.00325 0.00118 151 4YZ 0.01108 -0.00490 0.00438 0.00103 0.00160 152 18 H 1S 0.05440 0.00000 -0.02911 0.00000 -0.01528 153 2S -0.30237 0.00000 -0.22110 -0.00001 -0.13112 154 19 H 1S -0.03839 0.01577 -0.00970 0.00108 0.00209 155 2S 0.39864 0.72289 -0.02380 -0.03204 -0.19434 156 20 H 1S -0.03839 -0.01577 -0.00970 -0.00108 0.00209 157 2S 0.39861 -0.72288 -0.02382 0.03201 -0.19436 158 21 H 1S 0.02872 0.00000 0.11751 0.00000 0.04407 159 2S -0.41029 0.00000 1.47478 -0.00001 0.62159 160 22 O 1S 0.03749 -0.00430 0.01620 0.00883 0.00524 161 2S -0.03953 -0.00494 -0.01846 -0.01044 -0.01016 162 2PX -0.15569 0.01291 -0.08244 -0.02233 -0.00939 163 2PY 0.22884 0.01101 0.09694 0.05037 0.02976 164 2PZ -0.14117 0.05272 0.06630 0.01948 0.02142 165 3S -0.57345 0.12540 -0.25941 -0.10849 -0.07789 166 3PX -0.29293 0.01057 -0.10247 -0.00069 -0.00972 167 3PY 0.48980 -0.05532 0.16629 0.03394 0.03096 168 3PZ -0.27034 0.08391 0.09331 -0.00127 0.04680 169 4XX 0.01430 -0.00336 0.00695 0.01039 0.00300 170 4YY 0.01412 -0.00250 0.01073 0.00269 0.00060 171 4ZZ 0.01611 -0.00485 -0.00058 0.00182 -0.00038 172 4XY -0.00568 0.00008 -0.00764 -0.00085 -0.00249 173 4XZ -0.01375 0.00552 -0.00622 0.00775 -0.00279 174 4YZ -0.00570 -0.00204 -0.00120 -0.00675 0.00218 175 23 O 1S 0.03749 0.00430 0.01619 -0.00883 0.00524 176 2S -0.03953 0.00494 -0.01846 0.01045 -0.01016 177 2PX -0.15569 -0.01291 -0.08244 0.02233 -0.00939 178 2PY -0.22883 0.01101 -0.09694 0.05038 -0.02976 179 2PZ -0.14118 -0.05272 0.06630 -0.01948 0.02143 180 3S -0.57342 -0.12540 -0.25939 0.10851 -0.07791 181 3PX -0.29293 -0.01057 -0.10247 0.00070 -0.00971 182 3PY -0.48978 -0.05532 -0.16629 0.03395 -0.03097 183 3PZ -0.27036 -0.08391 0.09330 0.00127 0.04680 184 4XX 0.01430 0.00336 0.00695 -0.01039 0.00300 185 4YY 0.01411 0.00250 0.01073 -0.00269 0.00060 186 4ZZ 0.01610 0.00485 -0.00058 -0.00182 -0.00038 187 4XY 0.00568 0.00008 0.00764 -0.00085 0.00249 188 4XZ -0.01375 -0.00552 -0.00622 -0.00775 -0.00279 189 4YZ 0.00570 -0.00204 0.00120 -0.00675 -0.00218 61 62 63 64 65 V V V V V Eigenvalues -- 0.24913 0.30440 0.31361 0.32662 0.37011 1 1 C 1S -0.00501 0.05457 0.04993 0.01184 -0.00112 2 2S -0.01911 -0.06381 -0.05071 -0.01458 -0.03164 3 2PX -0.03124 0.03930 0.16616 0.08602 -0.01369 4 2PY -0.04682 -0.04805 -0.13033 0.02965 -0.00219 5 2PZ 0.03006 -0.15527 0.17505 -0.02975 0.00026 6 3S 0.41581 -1.37444 -1.44209 -0.20259 0.12340 7 3PX -0.26626 0.06246 1.06976 -0.07212 0.13153 8 3PY -0.13601 -0.13862 -0.85992 0.07392 0.14661 9 3PZ -0.13982 -0.67791 1.01343 -0.10965 0.14442 10 4XX -0.00287 0.00929 0.01014 -0.00493 0.00618 11 4YY 0.00719 -0.02213 -0.00263 0.00404 -0.00162 12 4ZZ -0.00575 0.01851 -0.00222 0.00471 -0.00847 13 4XY 0.01179 0.01093 -0.01299 0.00593 0.00777 14 4XZ -0.00619 0.01088 0.00236 -0.00062 0.00587 15 4YZ 0.01997 0.01501 -0.01318 -0.00465 -0.00688 16 2 H 1S 0.04856 -0.09266 -0.02681 0.01842 0.00912 17 2S -0.14695 0.07470 -0.43585 0.18359 0.11053 18 3 C 1S 0.00770 0.04918 -0.06115 -0.00224 -0.00127 19 2S -0.01976 -0.05120 0.03525 -0.00793 0.02212 20 2PX -0.06480 -0.02936 0.10792 -0.06936 0.02058 21 2PY -0.01803 -0.19977 -0.04489 0.03372 -0.03085 22 2PZ -0.15615 0.04039 0.10440 0.05969 0.00494 23 3S -0.14002 -1.39763 1.97728 -0.08286 -0.13833 24 3PX -0.35991 0.00153 0.90320 -0.13331 0.04287 25 3PY -0.17720 -1.37843 -0.73201 -0.09913 -0.22949 26 3PZ -0.57668 0.29825 0.79015 -0.00005 -0.03212 27 4XX -0.00610 -0.00237 -0.01765 0.01091 -0.00253 28 4YY 0.00104 0.02470 0.00742 -0.01042 0.00338 29 4ZZ 0.00482 -0.01758 -0.00116 -0.00624 0.00019 30 4XY 0.00240 -0.00353 0.02269 0.00382 0.00020 31 4XZ -0.00234 -0.01439 -0.01145 -0.00795 0.00113 32 4YZ 0.00641 0.00071 0.02428 -0.00019 -0.00158 33 4 H 1S -0.00070 -0.06445 0.08430 -0.04224 0.00084 34 2S -0.70164 -0.13196 0.19510 -0.06226 -0.05953 35 5 C 1S -0.00770 -0.04918 -0.06115 0.00224 0.00127 36 2S 0.01975 0.05121 0.03525 0.00793 -0.02213 37 2PX 0.06480 0.02936 0.10793 0.06935 -0.02059 38 2PY -0.01805 -0.19977 0.04490 0.03372 -0.03085 39 2PZ 0.15616 -0.04039 0.10440 -0.05970 -0.00494 40 3S 0.13998 1.39769 1.97727 0.08268 0.13837 41 3PX 0.35992 -0.00152 0.90328 0.13323 -0.04287 42 3PY -0.17726 -1.37840 0.73201 -0.09920 -0.22948 43 3PZ 0.57671 -0.29826 0.79019 -0.00003 0.03212 44 4XX 0.00610 0.00237 -0.01765 -0.01091 0.00253 45 4YY -0.00104 -0.02470 0.00742 0.01042 -0.00338 46 4ZZ -0.00483 0.01758 -0.00116 0.00624 -0.00019 47 4XY 0.00241 -0.00353 -0.02269 0.00382 0.00020 48 4XZ 0.00234 0.01439 -0.01145 0.00795 -0.00113 49 4YZ 0.00641 0.00071 -0.02428 -0.00019 -0.00158 50 6 H 1S 0.00070 0.06446 0.08430 0.04223 -0.00084 51 2S 0.70170 0.13198 0.19512 0.06224 0.05953 52 7 C 1S 0.00501 -0.05457 0.04993 -0.01185 0.00112 53 2S 0.01910 0.06380 -0.05071 0.01458 0.03164 54 2PX 0.03124 -0.03931 0.16616 -0.08603 0.01369 55 2PY -0.04681 -0.04805 0.13032 0.02964 -0.00220 56 2PZ -0.03008 0.15528 0.17505 0.02973 -0.00025 57 3S -0.41588 1.37437 -1.44217 0.20273 -0.12340 58 3PX 0.26623 -0.06243 1.06983 0.07202 -0.13152 59 3PY -0.13596 -0.13860 0.85989 0.07383 0.14662 60 3PZ 0.13972 0.67794 1.01347 0.10956 -0.14438 61 4XX 0.00287 -0.00928 0.01015 0.00493 -0.00618 62 4YY -0.00719 0.02213 -0.00263 -0.00404 0.00162 63 4ZZ 0.00575 -0.01851 -0.00222 -0.00471 0.00847 64 4XY 0.01179 0.01093 0.01299 0.00593 0.00777 65 4XZ 0.00619 -0.01088 0.00236 0.00062 -0.00587 66 4YZ 0.01997 0.01501 0.01318 -0.00465 -0.00688 67 8 H 1S -0.04857 0.09266 -0.02681 -0.01842 -0.00913 68 2S 0.14691 -0.07472 -0.43586 -0.18355 -0.11054 69 9 C 1S -0.04249 -0.02516 0.01175 -0.00099 0.00753 70 2S 0.04862 0.02438 -0.00764 0.00884 0.00491 71 2PX -0.03232 -0.14621 0.02915 0.00390 -0.00998 72 2PY 0.32590 -0.14213 0.07101 -0.06987 -0.01892 73 2PZ -0.12554 -0.20179 0.02885 -0.00694 0.05848 74 3S 0.69593 0.42731 -0.49255 0.01382 -0.20473 75 3PX -0.14516 -0.58969 -0.15249 0.00213 -0.00974 76 3PY 1.37298 -0.47709 0.29470 -0.28800 -0.14406 77 3PZ -0.45342 -0.90104 0.04828 -0.03203 0.24750 78 4XX 0.01494 -0.00164 -0.00572 -0.00479 0.00054 79 4YY -0.02628 0.00810 0.01240 0.00497 0.00126 80 4ZZ 0.00596 -0.01033 -0.00591 0.00218 0.00275 81 4XY 0.00264 0.00240 -0.00663 0.00051 0.00136 82 4XZ 0.00093 -0.01344 -0.00627 -0.00208 -0.01220 83 4YZ 0.00509 0.00512 0.02348 -0.00169 -0.00198 84 10 H 1S 0.03646 0.01799 -0.04193 -0.00550 0.02144 85 2S 0.53293 -0.09856 0.07685 -0.09641 -0.19824 86 11 H 1S 0.05919 -0.00900 -0.03394 -0.01516 -0.03028 87 2S 0.65886 0.47092 0.15170 -0.11625 -0.11301 88 12 C 1S 0.04248 0.02516 0.01175 0.00099 -0.00753 89 2S -0.04862 -0.02438 -0.00765 -0.00884 -0.00491 90 2PX 0.03233 0.14621 0.02914 -0.00390 0.00999 91 2PY 0.32590 -0.14214 -0.07101 -0.06986 -0.01892 92 2PZ 0.12554 0.20179 0.02884 0.00693 -0.05849 93 3S -0.69580 -0.42733 -0.49253 -0.01379 0.20470 94 3PX 0.14515 0.58966 -0.15255 -0.00212 0.00975 95 3PY 1.37300 -0.47714 -0.29470 -0.28798 -0.14406 96 3PZ 0.45340 0.90103 0.04824 0.03202 -0.24749 97 4XX -0.01494 0.00164 -0.00572 0.00479 -0.00054 98 4YY 0.02628 -0.00810 0.01240 -0.00497 -0.00126 99 4ZZ -0.00596 0.01033 -0.00591 -0.00218 -0.00275 100 4XY 0.00264 0.00240 0.00663 0.00051 0.00135 101 4XZ -0.00094 0.01343 -0.00627 0.00208 0.01221 102 4YZ 0.00509 0.00512 -0.02348 -0.00169 -0.00198 103 13 H 1S -0.03645 -0.01799 -0.04193 0.00550 -0.02144 104 2S -0.53293 0.09857 0.07682 0.09641 0.19825 105 14 H 1S -0.05919 0.00900 -0.03394 0.01517 0.03028 106 2S -0.65890 -0.47092 0.15174 0.11624 0.11301 107 15 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 108 2S 0.00000 0.00000 -0.02251 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00885 0.00000 0.00000 110 2PY 0.09116 0.07177 -0.00001 -0.03518 0.31616 111 2PZ 0.00000 0.00000 0.02878 0.00000 0.00001 112 3S -0.00001 0.00000 -0.05177 0.00000 0.00000 113 3PX 0.00000 0.00000 0.03582 -0.00001 0.00000 114 3PY -0.07857 0.09382 -0.00005 -0.95905 -0.10116 115 3PZ -0.00002 0.00000 0.05969 -0.00002 0.00000 116 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00190 0.00000 0.00000 119 4XY 0.00724 0.00631 0.00000 -0.00645 0.01098 120 4XZ 0.00000 0.00000 0.00288 0.00000 0.00000 121 4YZ 0.00156 0.00332 0.00000 -0.00986 0.01508 122 16 C 1S -0.00707 -0.00781 -0.00108 -0.02271 -0.11315 123 2S -0.00512 0.00678 -0.00358 -0.00751 0.12508 124 2PX -0.02771 0.03863 -0.00298 -0.12826 0.15939 125 2PY 0.04312 -0.00906 0.00520 0.24084 0.14950 126 2PZ 0.00631 -0.05660 0.01929 -0.08479 0.22711 127 3S 0.28467 0.08992 -0.02078 1.25386 2.60179 128 3PX -0.05050 0.02115 -0.03800 -0.70821 1.07730 129 3PY 0.29415 -0.17730 0.02083 1.79263 1.77007 130 3PZ 0.02154 -0.08851 -0.02235 -0.29517 0.98284 131 4XX 0.00157 0.00080 -0.00318 0.00393 0.00537 132 4YY -0.00599 -0.00272 0.00030 -0.02512 -0.02342 133 4ZZ 0.00244 -0.00104 0.00006 0.00402 0.01366 134 4XY 0.00176 0.00143 0.00387 0.00482 0.00227 135 4XZ 0.00086 -0.00204 0.00058 0.01351 -0.01115 136 4YZ 0.00089 0.00266 -0.00372 -0.00093 -0.00423 137 17 C 1S 0.00707 0.00781 -0.00108 0.02271 0.11315 138 2S 0.00511 -0.00678 -0.00358 0.00752 -0.12508 139 2PX 0.02771 -0.03864 -0.00297 0.12827 -0.15939 140 2PY 0.04312 -0.00905 -0.00518 0.24084 0.14951 141 2PZ -0.00631 0.05660 0.01930 0.08480 -0.22710 142 3S -0.28467 -0.08991 -0.02086 -1.25390 -2.60178 143 3PX 0.05050 -0.02116 -0.03795 0.70819 -1.07731 144 3PY 0.29415 -0.17731 -0.02070 1.79261 1.77012 145 3PZ -0.02153 0.08850 -0.02234 0.29525 -0.98274 146 4XX -0.00157 -0.00080 -0.00318 -0.00393 -0.00537 147 4YY 0.00599 0.00271 0.00030 0.02512 0.02342 148 4ZZ -0.00244 0.00104 0.00006 -0.00402 -0.01367 149 4XY 0.00176 0.00143 -0.00387 0.00482 0.00227 150 4XZ -0.00086 0.00204 0.00058 -0.01351 0.01115 151 4YZ 0.00090 0.00266 0.00372 -0.00093 -0.00423 152 18 H 1S 0.00000 0.00000 -0.01419 0.00000 0.00000 153 2S -0.00001 0.00000 0.04276 0.00000 0.00000 154 19 H 1S 0.00772 -0.01326 -0.01278 0.02447 -0.06637 155 2S 0.09415 -0.28199 0.02671 0.34157 0.96144 156 20 H 1S -0.00772 0.01326 -0.01278 -0.02447 0.06636 157 2S -0.09416 0.28199 0.02667 -0.34156 -0.96139 158 21 H 1S 0.00000 0.00000 0.00720 0.00000 0.00000 159 2S 0.00003 0.00001 -0.06135 0.00000 -0.00001 160 22 O 1S 0.00212 -0.00068 -0.00131 0.01841 -0.04211 161 2S -0.00233 0.01331 -0.02280 -0.05337 0.03817 162 2PX -0.01729 -0.03937 0.03688 0.18593 -0.17937 163 2PY 0.00796 0.02599 -0.03327 -0.08113 -0.01776 164 2PZ 0.03255 -0.00833 -0.01285 0.15780 -0.16675 165 3S -0.00722 -0.01931 0.09573 -0.17097 0.92174 166 3PX 0.01092 -0.04512 0.00257 0.44744 -0.39720 167 3PY -0.01790 0.03116 -0.03094 -0.21302 -0.29195 168 3PZ 0.04113 -0.04909 -0.00676 0.41033 -0.27620 169 4XX 0.00244 0.00766 -0.00359 -0.00467 -0.02429 170 4YY 0.00397 0.00385 -0.00885 0.00902 0.00077 171 4ZZ -0.00188 -0.00047 -0.01008 -0.00491 -0.01834 172 4XY -0.00586 0.00004 -0.00149 -0.02044 -0.02168 173 4XZ 0.00771 0.00505 -0.00142 -0.00121 0.01204 174 4YZ -0.00537 -0.00456 0.00267 -0.01789 -0.01720 175 23 O 1S -0.00212 0.00068 -0.00131 -0.01841 0.04211 176 2S 0.00233 -0.01331 -0.02280 0.05337 -0.03817 177 2PX 0.01729 0.03937 0.03685 -0.18593 0.17937 178 2PY 0.00796 0.02599 0.03326 -0.08113 -0.01777 179 2PZ -0.03255 0.00833 -0.01287 -0.15780 0.16675 180 3S 0.00721 0.01932 0.09573 0.17099 -0.92176 181 3PX -0.01092 0.04512 0.00253 -0.44744 0.39720 182 3PY -0.01790 0.03116 0.03092 -0.21301 -0.29197 183 3PZ -0.04113 0.04909 -0.00680 -0.41035 0.27620 184 4XX -0.00244 -0.00766 -0.00359 0.00467 0.02429 185 4YY -0.00397 -0.00385 -0.00885 -0.00902 -0.00077 186 4ZZ 0.00188 0.00047 -0.01008 0.00491 0.01834 187 4XY -0.00586 0.00004 0.00149 -0.02044 -0.02168 188 4XZ -0.00771 -0.00505 -0.00142 0.00121 -0.01204 189 4YZ -0.00537 -0.00456 -0.00267 -0.01789 -0.01720 66 67 68 69 70 V V V V V Eigenvalues -- 0.43215 0.47398 0.47794 0.49140 0.50827 1 1 C 1S 0.08007 0.00722 -0.04116 -0.00014 -0.00066 2 2S -0.05679 -0.09487 -0.01174 0.02343 -0.13261 3 2PX -0.11021 -0.04992 -0.05357 -0.24889 0.09748 4 2PY -0.12928 -0.06152 0.05972 -0.00815 -0.00608 5 2PZ -0.14486 -0.02287 -0.19039 -0.19368 0.07396 6 3S -2.35151 0.00843 2.13705 0.14990 -0.00455 7 3PX 0.28459 0.03939 -1.64539 0.47752 -0.05985 8 3PY -1.87574 0.04110 0.91901 -0.00711 -0.10279 9 3PZ -0.57155 0.19463 -1.79566 0.34736 -0.17755 10 4XX 0.00040 -0.00234 -0.02196 0.01141 -0.00872 11 4YY 0.00201 0.01230 0.00825 -0.00914 -0.00641 12 4ZZ -0.00843 -0.02264 0.01412 -0.01044 -0.00570 13 4XY -0.01699 0.01243 0.00693 -0.02814 0.01023 14 4XZ -0.01030 -0.00884 -0.01369 0.01362 -0.02766 15 4YZ -0.00523 -0.01337 0.01282 -0.02801 0.00006 16 2 H 1S 0.08372 0.07550 0.03345 -0.01001 -0.02072 17 2S -0.74071 0.00046 0.21710 -0.02519 -0.07762 18 3 C 1S -0.09297 -0.00200 0.03356 -0.00378 -0.00423 19 2S 0.03026 -0.05789 -0.01630 0.06460 -0.33218 20 2PX 0.04082 -0.09829 -0.16368 0.12700 -0.08401 21 2PY 0.15075 -0.04973 0.22077 -0.24793 -0.03555 22 2PZ 0.11609 0.12617 -0.11092 0.13647 -0.06454 23 3S 3.56247 0.19043 -1.45011 -0.00059 0.36877 24 3PX 1.02310 0.08325 -1.81169 -0.14156 0.06514 25 3PY 2.25583 -0.03298 1.70954 0.36901 0.01860 26 3PZ 1.26283 -0.11819 -1.45089 -0.15604 0.07968 27 4XX 0.00255 0.00698 0.01395 0.01029 -0.00995 28 4YY -0.00686 -0.00880 -0.02035 -0.02343 -0.04656 29 4ZZ 0.00742 -0.00205 -0.00210 0.01746 -0.01515 30 4XY -0.00892 0.00696 0.00316 -0.01908 0.00379 31 4XZ 0.00498 -0.00168 0.00251 0.01941 -0.03193 32 4YZ -0.00824 0.00591 0.00460 -0.01975 0.00084 33 4 H 1S -0.04079 0.00363 0.03607 -0.01157 -0.07751 34 2S 1.03640 -0.07839 -0.42434 0.04198 -0.04276 35 5 C 1S 0.09297 -0.00201 -0.03356 -0.00378 -0.00423 36 2S -0.03025 -0.05788 0.01631 0.06460 -0.33218 37 2PX -0.04082 -0.09826 0.16370 0.12700 -0.08401 38 2PY 0.15074 0.04976 0.22077 0.24791 0.03555 39 2PZ -0.11608 0.12619 0.11092 0.13648 -0.06454 40 3S -3.56247 0.19071 1.44998 -0.00063 0.36879 41 3PX -1.02306 0.08350 1.81169 -0.14164 0.06516 42 3PY 2.25590 0.03313 1.70938 -0.36908 -0.01856 43 3PZ -1.26274 -0.11796 1.45091 -0.15609 0.07970 44 4XX -0.00255 0.00697 -0.01396 0.01029 -0.00995 45 4YY 0.00686 -0.00879 0.02035 -0.02343 -0.04656 46 4ZZ -0.00742 -0.00205 0.00210 0.01746 -0.01515 47 4XY -0.00892 -0.00696 0.00316 0.01908 -0.00379 48 4XZ -0.00498 -0.00168 -0.00251 0.01941 -0.03193 49 4YZ -0.00824 -0.00591 0.00461 0.01975 -0.00084 50 6 H 1S 0.04079 0.00362 -0.03608 -0.01157 -0.07751 51 2S -1.03640 -0.07830 0.42436 0.04197 -0.04276 52 7 C 1S -0.08007 0.00723 0.04116 -0.00014 -0.00066 53 2S 0.05679 -0.09487 0.01175 0.02343 -0.13260 54 2PX 0.11020 -0.04991 0.05356 -0.24889 0.09748 55 2PY -0.12927 0.06154 0.05969 0.00816 0.00607 56 2PZ 0.14485 -0.02287 0.19039 -0.19368 0.07397 57 3S 2.35150 0.00810 -2.13698 0.14996 -0.00459 58 3PX -0.28466 0.03962 1.64540 0.47746 -0.05982 59 3PY -1.87574 -0.04094 0.91888 0.00707 0.10282 60 3PZ 0.57148 0.19485 1.79561 0.34727 -0.17751 61 4XX -0.00040 -0.00233 0.02196 0.01141 -0.00872 62 4YY -0.00201 0.01230 -0.00825 -0.00915 -0.00641 63 4ZZ 0.00843 -0.02264 -0.01412 -0.01044 -0.00570 64 4XY -0.01699 -0.01243 0.00693 0.02814 -0.01023 65 4XZ 0.01029 -0.00883 0.01370 0.01362 -0.02766 66 4YZ -0.00523 0.01337 0.01281 0.02801 -0.00006 67 8 H 1S -0.08372 0.07551 -0.03346 -0.01001 -0.02072 68 2S 0.74069 0.00041 -0.21709 -0.02519 -0.07762 69 9 C 1S -0.05781 -0.00520 0.00860 0.00042 0.00110 70 2S -0.02158 -0.06904 -0.00006 0.06014 0.00086 71 2PX 0.01441 -0.16217 -0.01026 0.07811 0.21364 72 2PY -0.02797 -0.05311 -0.18914 0.29531 0.02109 73 2PZ -0.08586 0.16457 -0.15364 0.04036 -0.00815 74 3S 1.82651 0.05274 -0.03551 -0.21155 0.08718 75 3PX -0.50869 0.23972 0.06446 -0.13929 -0.28007 76 3PY 0.40608 0.05052 -1.14331 -0.30664 -0.05912 77 3PZ -1.62438 -0.14298 -0.40066 -0.03674 -0.01676 78 4XX 0.01907 -0.00219 0.00424 -0.01281 0.00775 79 4YY 0.00215 -0.01654 0.00721 0.06119 0.00619 80 4ZZ -0.02746 -0.00827 -0.01038 -0.03539 -0.00309 81 4XY -0.00208 0.02137 0.00247 -0.01227 -0.02779 82 4XZ -0.01028 -0.02768 0.02007 -0.00815 0.04331 83 4YZ 0.00175 -0.01509 -0.00794 -0.01223 0.00194 84 10 H 1S 0.05924 0.13996 -0.06618 -0.02996 -0.16999 85 2S 0.28283 -0.06704 0.03733 0.04892 0.06071 86 11 H 1S 0.05304 -0.08406 0.07744 -0.02337 0.14640 87 2S 0.17298 -0.08903 -0.11370 0.07996 0.02152 88 12 C 1S 0.05781 -0.00521 -0.00860 0.00042 0.00110 89 2S 0.02158 -0.06903 0.00007 0.06014 0.00086 90 2PX -0.01443 -0.16217 0.01029 0.07811 0.21364 91 2PY -0.02798 0.05308 -0.18915 -0.29530 -0.02109 92 2PZ 0.08586 0.16458 0.15361 0.04034 -0.00815 93 3S -1.82650 0.05277 0.03554 -0.21153 0.08718 94 3PX 0.50867 0.23969 -0.06453 -0.13930 -0.28006 95 3PY 0.40602 -0.05067 -1.14330 0.30669 0.05910 96 3PZ 1.62437 -0.14297 0.40062 -0.03676 -0.01674 97 4XX -0.01907 -0.00219 -0.00424 -0.01281 0.00775 98 4YY -0.00215 -0.01654 -0.00721 0.06119 0.00619 99 4ZZ 0.02746 -0.00827 0.01038 -0.03539 -0.00308 100 4XY -0.00208 -0.02137 0.00248 0.01227 0.02779 101 4XZ 0.01027 -0.02768 -0.02007 -0.00815 0.04331 102 4YZ 0.00175 0.01508 -0.00794 0.01224 -0.00194 103 13 H 1S -0.05924 0.13997 0.06617 -0.02997 -0.16999 104 2S -0.28283 -0.06705 -0.03733 0.04892 0.06072 105 14 H 1S -0.05304 -0.08407 -0.07742 -0.02336 0.14640 106 2S -0.17297 -0.08900 0.11371 0.07996 0.02151 107 15 C 1S 0.00000 0.01003 0.00000 0.00755 -0.01606 108 2S 0.00000 -0.36572 0.00002 -0.00663 0.09757 109 2PX 0.00000 0.37709 -0.00003 -0.13888 -0.28995 110 2PY 0.10849 0.00000 0.00502 -0.00001 -0.00002 111 2PZ 0.00000 0.31847 -0.00002 0.05659 0.03659 112 3S 0.00001 0.91962 -0.00006 -0.07164 -0.12159 113 3PX 0.00000 -0.79876 0.00006 0.39798 0.43536 114 3PY -0.12651 0.00002 0.10548 0.00001 0.00004 115 3PZ -0.00001 -0.70950 0.00005 -0.12368 -0.34549 116 4XX 0.00000 -0.01088 0.00000 -0.02613 -0.03731 117 4YY 0.00000 0.03630 0.00000 0.00517 0.00495 118 4ZZ 0.00000 -0.01433 0.00000 0.02865 0.01857 119 4XY 0.00485 0.00000 -0.00374 0.00000 0.00000 120 4XZ 0.00000 -0.01529 0.00000 0.01366 -0.00820 121 4YZ 0.00822 0.00000 -0.00878 0.00000 0.00000 122 16 C 1S -0.00852 -0.00397 -0.00860 0.00100 -0.02782 123 2S 0.00021 -0.21680 0.06366 -0.08101 -0.01559 124 2PX 0.01228 0.05385 0.10262 -0.19434 0.16410 125 2PY 0.01548 -0.31620 -0.06955 0.02005 -0.20550 126 2PZ -0.02131 0.10328 0.11322 0.10979 0.29653 127 3S 0.24253 0.06162 -0.06718 0.02904 0.07285 128 3PX -0.06029 -0.04795 0.10798 0.22589 -0.16271 129 3PY 0.09758 0.42482 -0.15088 0.02414 0.19087 130 3PZ 0.03028 -0.22562 0.09972 -0.13214 -0.32438 131 4XX 0.00107 0.00758 0.00261 -0.00456 0.00943 132 4YY -0.00314 -0.07465 0.00905 -0.00701 -0.01804 133 4ZZ 0.00220 0.02591 -0.00883 -0.00179 -0.03211 134 4XY 0.00293 -0.00274 -0.00245 -0.01433 0.02749 135 4XZ 0.00122 -0.02769 -0.00470 -0.00537 -0.02621 136 4YZ 0.00143 -0.00264 0.00129 -0.02036 -0.00774 137 17 C 1S 0.00852 -0.00397 0.00860 0.00100 -0.02782 138 2S -0.00022 -0.21680 -0.06364 -0.08100 -0.01558 139 2PX -0.01229 0.05383 -0.10264 -0.19433 0.16412 140 2PY 0.01550 0.31619 -0.06959 -0.02005 0.20549 141 2PZ 0.02131 0.10326 -0.11324 0.10979 0.29655 142 3S -0.24253 0.06164 0.06717 0.02903 0.07284 143 3PX 0.06030 -0.04795 -0.10795 0.22589 -0.16273 144 3PY 0.09756 -0.42484 -0.15083 -0.02414 -0.19088 145 3PZ -0.03028 -0.22564 -0.09970 -0.13215 -0.32441 146 4XX -0.00107 0.00758 -0.00261 -0.00456 0.00943 147 4YY 0.00313 -0.07465 -0.00905 -0.00701 -0.01804 148 4ZZ -0.00220 0.02592 0.00882 -0.00179 -0.03211 149 4XY 0.00293 0.00274 -0.00244 0.01433 -0.02749 150 4XZ -0.00122 -0.02769 0.00470 -0.00537 -0.02621 151 4YZ 0.00143 0.00263 0.00129 0.02036 0.00774 152 18 H 1S 0.00000 0.05642 -0.00001 -0.11213 -0.14994 153 2S 0.00000 0.05054 0.00000 -0.09430 -0.07491 154 19 H 1S -0.00192 -0.07808 -0.02196 -0.08502 -0.19780 155 2S -0.07236 -0.02442 0.02999 0.08755 -0.04201 156 20 H 1S 0.00192 -0.07807 0.02197 -0.08501 -0.19780 157 2S 0.07237 -0.02444 -0.02999 0.08754 -0.04200 158 21 H 1S 0.00000 0.03696 0.00000 0.07931 0.08969 159 2S 0.00000 0.00396 0.00000 0.07713 0.24447 160 22 O 1S -0.00186 0.01080 -0.00849 -0.00173 0.01452 161 2S 0.02441 0.05189 -0.01341 -0.03074 -0.13458 162 2PX -0.04321 0.06611 -0.01177 -0.02347 -0.00455 163 2PY 0.02800 -0.08566 -0.04251 -0.07259 0.11348 164 2PZ 0.01784 0.04837 -0.07974 0.00525 0.13833 165 3S 0.02139 -0.49431 0.13243 0.07037 0.26339 166 3PX 0.00349 -0.04424 -0.11390 -0.07304 -0.06756 167 3PY -0.01736 0.33911 0.01449 0.01393 -0.01175 168 3PZ 0.00914 -0.00445 -0.06744 0.07327 0.03816 169 4XX 0.00513 0.05356 -0.01306 -0.00813 -0.01012 170 4YY 0.01150 -0.05523 -0.01115 -0.01386 -0.02060 171 4ZZ 0.00653 0.04801 -0.01702 -0.02074 -0.02275 172 4XY -0.00423 0.02185 -0.00797 -0.01259 0.00406 173 4XZ 0.00977 -0.01923 -0.01774 -0.01576 0.03914 174 4YZ -0.00900 0.02332 0.00247 -0.00083 0.00757 175 23 O 1S 0.00186 0.01080 0.00849 -0.00173 0.01452 176 2S -0.02441 0.05189 0.01340 -0.03074 -0.13458 177 2PX 0.04321 0.06612 0.01176 -0.02347 -0.00455 178 2PY 0.02801 0.08565 -0.04252 0.07259 -0.11349 179 2PZ -0.01784 0.04838 0.07973 0.00525 0.13832 180 3S -0.02141 -0.49431 -0.13236 0.07036 0.26340 181 3PX -0.00349 -0.04423 0.11390 -0.07304 -0.06755 182 3PY -0.01738 -0.33911 0.01453 -0.01393 0.01176 183 3PZ -0.00914 -0.00446 0.06745 0.07327 0.03817 184 4XX -0.00513 0.05356 0.01305 -0.00813 -0.01013 185 4YY -0.01150 -0.05523 0.01116 -0.01386 -0.02059 186 4ZZ -0.00652 0.04801 0.01701 -0.02074 -0.02275 187 4XY -0.00423 -0.02186 -0.00797 0.01260 -0.00406 188 4XZ -0.00977 -0.01923 0.01774 -0.01576 0.03914 189 4YZ -0.00900 -0.02332 0.00248 0.00083 -0.00757 71 72 73 74 75 V V V V V Eigenvalues -- 0.52316 0.54651 0.54787 0.54867 0.56890 1 1 C 1S 0.00900 0.00575 -0.00056 0.00296 -0.01425 2 2S -0.00227 -0.04221 -0.05169 -0.00433 0.08396 3 2PX 0.10650 -0.08804 -0.06951 -0.10131 -0.31266 4 2PY 0.03800 -0.07500 -0.15491 -0.08819 -0.03800 5 2PZ -0.12381 -0.08023 -0.04271 0.04529 -0.10984 6 3S -0.34146 0.12727 0.16863 0.27554 1.12964 7 3PX -0.14060 0.16491 0.18627 0.04789 0.10014 8 3PY -0.32858 0.13106 0.27563 0.41020 0.75585 9 3PZ 0.35700 -0.01503 0.02029 -0.03813 -0.21569 10 4XX 0.01346 -0.00384 -0.02920 0.00073 -0.00197 11 4YY 0.01940 0.00480 0.05565 -0.00810 0.01823 12 4ZZ -0.02598 -0.00237 -0.03654 0.01747 0.00644 13 4XY -0.00179 0.00196 -0.00003 0.01282 -0.00478 14 4XZ -0.01480 0.00893 -0.00260 0.02606 0.04071 15 4YZ -0.03558 0.01206 0.01257 0.01921 0.02386 16 2 H 1S 0.04051 0.05730 0.26309 -0.01878 0.11273 17 2S -0.13429 0.00626 -0.08624 0.20407 0.24331 18 3 C 1S -0.00607 -0.00092 0.00969 -0.00166 0.04594 19 2S -0.18011 0.02054 0.09807 0.18970 0.09130 20 2PX 0.01259 -0.01978 0.01689 -0.19936 -0.01978 21 2PY -0.18853 -0.05053 -0.00088 0.09630 -0.23847 22 2PZ 0.04504 0.03802 -0.16432 0.26892 0.07350 23 3S 0.37958 0.05797 -0.15589 -0.27816 -0.97556 24 3PX 0.09670 0.01635 -0.00212 0.05821 -0.66278 25 3PY 0.22966 0.14556 -0.03850 -0.19665 0.32684 26 3PZ -0.04096 0.00592 0.14396 -0.27188 -0.61396 27 4XX 0.01531 -0.00512 -0.00694 0.00160 -0.01363 28 4YY -0.04920 0.01486 0.01372 0.04492 0.06038 29 4ZZ 0.00327 -0.00254 0.02883 -0.01519 0.00265 30 4XY 0.00935 -0.00419 0.03005 -0.01844 -0.00516 31 4XZ -0.00373 0.00460 0.04119 -0.00975 0.03635 32 4YZ 0.00031 -0.00402 0.03195 0.00164 -0.00602 33 4 H 1S -0.01088 0.01955 0.26201 -0.05824 0.16826 34 2S -0.04799 0.06573 -0.11983 0.01461 -0.20188 35 5 C 1S -0.00607 0.00090 0.00969 -0.00166 -0.04594 36 2S -0.18011 -0.02061 0.09805 0.18970 -0.09128 37 2PX 0.01259 0.01970 0.01692 -0.19936 0.01980 38 2PY 0.18853 -0.05055 0.00084 -0.09630 -0.23842 39 2PZ 0.04504 -0.03775 -0.16436 0.26892 -0.07349 40 3S 0.37957 -0.05785 -0.15603 -0.27809 0.97555 41 3PX 0.09669 -0.01632 -0.00222 0.05825 0.66277 42 3PY -0.22967 0.14556 0.03858 0.19663 0.32674 43 3PZ -0.04097 -0.00616 0.14390 -0.27183 0.61397 44 4XX 0.01531 0.00513 -0.00694 0.00161 0.01363 45 4YY -0.04920 -0.01486 0.01371 0.04492 -0.06038 46 4ZZ 0.00327 0.00250 0.02883 -0.01519 -0.00265 47 4XY -0.00936 -0.00415 -0.03005 0.01844 -0.00516 48 4XZ -0.00373 -0.00465 0.04119 -0.00975 -0.03635 49 4YZ -0.00032 -0.00398 -0.03196 -0.00163 -0.00603 50 6 H 1S -0.01088 -0.01988 0.26200 -0.05824 -0.16823 51 2S -0.04799 -0.06558 -0.11992 0.01464 0.20187 52 7 C 1S 0.00900 -0.00575 -0.00057 0.00296 0.01426 53 2S -0.00226 0.04229 -0.05164 -0.00436 -0.08395 54 2PX 0.10651 0.08809 -0.06943 -0.10131 0.31266 55 2PY -0.03800 -0.07518 0.15482 0.08821 -0.03798 56 2PZ -0.12381 0.08030 -0.04263 0.04526 0.10983 57 3S -0.34147 -0.12744 0.16860 0.27553 -1.12964 58 3PX -0.14061 -0.16513 0.18606 0.04793 -0.10008 59 3PY 0.32858 0.13132 -0.27553 -0.41020 0.75581 60 3PZ 0.35701 0.01501 0.02024 -0.03812 0.21577 61 4XX 0.01346 0.00387 -0.02919 0.00073 0.00196 62 4YY 0.01940 -0.00487 0.05565 -0.00810 -0.01821 63 4ZZ -0.02597 0.00242 -0.03654 0.01746 -0.00644 64 4XY 0.00179 0.00196 0.00003 -0.01282 -0.00477 65 4XZ -0.01480 -0.00892 -0.00261 0.02606 -0.04070 66 4YZ 0.03558 0.01207 -0.01256 -0.01921 0.02386 67 8 H 1S 0.04052 -0.05762 0.26303 -0.01877 -0.11266 68 2S -0.13430 -0.00611 -0.08624 0.20406 -0.24332 69 9 C 1S 0.00315 -0.00388 0.00068 0.00095 -0.00266 70 2S -0.11638 0.04270 -0.06147 0.10013 0.11671 71 2PX 0.01452 -0.10520 0.06306 -0.23228 -0.04363 72 2PY 0.07449 0.07399 -0.19267 0.06881 -0.05790 73 2PZ 0.27261 -0.11201 0.09702 -0.27148 -0.16950 74 3S 0.15260 -0.28418 -0.17716 -0.21658 -0.56073 75 3PX 0.00031 -0.04637 -0.11649 0.26163 0.31116 76 3PY -0.04470 -0.15961 0.25104 -0.12119 -0.31043 77 3PZ -0.32942 0.08379 -0.05784 0.35151 0.42708 78 4XX 0.00287 0.00993 0.02631 -0.03059 -0.00336 79 4YY -0.00473 -0.00932 -0.04667 0.02892 0.00365 80 4ZZ -0.01541 -0.00897 -0.00711 0.01716 -0.00006 81 4XY 0.00624 -0.00234 -0.02238 0.01539 0.00000 82 4XZ -0.02145 -0.00649 0.00199 -0.01427 -0.01263 83 4YZ -0.00578 -0.00416 -0.03322 -0.01468 -0.00834 84 10 H 1S 0.06253 0.00688 0.06225 0.05772 0.06038 85 2S -0.05186 -0.04576 -0.01796 -0.02798 0.01686 86 11 H 1S -0.00180 0.01436 0.15695 -0.13302 -0.08356 87 2S -0.01798 0.15948 0.00947 0.10842 -0.22176 88 12 C 1S 0.00315 0.00388 0.00068 0.00095 0.00266 89 2S -0.11639 -0.04261 -0.06151 0.10015 -0.11669 90 2PX 0.01451 0.10506 0.06319 -0.23230 0.04363 91 2PY -0.07450 0.07374 0.19276 -0.06882 -0.05784 92 2PZ 0.27261 0.11184 0.09714 -0.27151 0.16945 93 3S 0.15261 0.28434 -0.17684 -0.21664 0.56064 94 3PX 0.00033 0.04659 -0.11643 0.26159 -0.31117 95 3PY 0.04471 -0.15930 -0.25118 0.12120 -0.31050 96 3PZ -0.32943 -0.08366 -0.05794 0.35152 -0.42704 97 4XX 0.00287 -0.00997 0.02630 -0.03058 0.00336 98 4YY -0.00473 0.00938 -0.04666 0.02891 -0.00366 99 4ZZ -0.01541 0.00899 -0.00710 0.01716 0.00006 100 4XY -0.00624 -0.00237 0.02238 -0.01539 0.00001 101 4XZ -0.02145 0.00648 0.00200 -0.01427 0.01263 102 4YZ 0.00578 -0.00420 0.03322 0.01468 -0.00834 103 13 H 1S 0.06253 -0.00693 0.06224 0.05773 -0.06037 104 2S -0.05187 0.04579 -0.01790 -0.02799 -0.01687 105 14 H 1S -0.00180 -0.01459 0.15693 -0.13302 0.08358 106 2S -0.01798 -0.15947 0.00926 0.10847 0.22176 107 15 C 1S -0.01516 0.00000 -0.00372 -0.02237 0.00000 108 2S 0.14631 -0.00006 0.13477 0.25077 0.00001 109 2PX -0.06814 0.00008 -0.17704 -0.28056 0.00001 110 2PY 0.00002 -0.85373 -0.00052 0.00011 0.25681 111 2PZ -0.45833 0.00008 -0.22769 -0.30693 0.00001 112 3S -0.30194 0.00010 -0.23420 -0.34783 0.00000 113 3PX 0.11573 -0.00031 0.63709 0.65843 -0.00003 114 3PY -0.00003 1.46737 0.00090 -0.00020 -0.53661 115 3PZ 0.94745 -0.00028 0.73247 0.94222 -0.00002 116 4XX 0.02769 0.00000 0.00807 0.01265 0.00000 117 4YY -0.03413 0.00002 -0.02567 -0.01947 0.00000 118 4ZZ -0.03184 -0.00001 0.00545 -0.02085 0.00000 119 4XY 0.00000 -0.04318 -0.00003 0.00001 0.03029 120 4XZ 0.00050 -0.00002 0.03064 0.01632 0.00000 121 4YZ 0.00000 -0.05045 -0.00003 0.00001 0.02428 122 16 C 1S -0.00947 -0.04599 -0.00671 -0.02129 0.01973 123 2S 0.01713 0.04488 -0.16594 0.00767 -0.08454 124 2PX 0.33525 -0.14650 -0.29028 0.00230 -0.43695 125 2PY -0.06270 0.18015 -0.13241 -0.18581 0.07059 126 2PZ -0.13060 0.03250 0.02856 0.07921 -0.05746 127 3S -0.14358 1.08424 0.00792 -0.13960 -0.12512 128 3PX -0.40238 0.68290 0.54176 0.13983 0.89873 129 3PY 0.19283 0.72436 0.38239 0.35402 -0.13457 130 3PZ 0.17601 0.27187 0.15234 -0.03183 0.07788 131 4XX -0.02496 0.00939 -0.00440 0.00148 0.01656 132 4YY 0.00107 -0.02166 -0.03091 -0.00917 -0.00735 133 4ZZ 0.00250 0.00995 0.01537 -0.00811 0.02195 134 4XY 0.02336 -0.01324 -0.04775 -0.00769 0.00654 135 4XZ -0.01119 -0.01145 -0.01533 -0.02010 0.02833 136 4YZ 0.02612 -0.01531 -0.00190 -0.00883 -0.00056 137 17 C 1S -0.00947 0.04599 -0.00665 -0.02131 -0.01973 138 2S 0.01712 -0.04469 -0.16599 0.00768 0.08459 139 2PX 0.33524 0.14685 -0.29013 0.00227 0.43695 140 2PY 0.06270 0.18003 0.13264 0.18576 0.07061 141 2PZ -0.13059 -0.03253 0.02850 0.07922 0.05749 142 3S -0.14359 -1.08426 0.00656 -0.13932 0.12503 143 3PX -0.40241 -0.68353 0.54099 0.13999 -0.89875 144 3PY -0.19281 0.72476 -0.38150 -0.35421 -0.13462 145 3PZ 0.17600 -0.27200 0.15203 -0.03176 -0.07791 146 4XX -0.02496 -0.00939 -0.00441 0.00148 -0.01656 147 4YY 0.00107 0.02170 -0.03088 -0.00918 0.00735 148 4ZZ 0.00250 -0.00997 0.01536 -0.00811 -0.02194 149 4XY -0.02336 -0.01329 0.04773 0.00769 0.00654 150 4XZ -0.01120 0.01147 -0.01531 -0.02010 -0.02833 151 4YZ -0.02612 -0.01530 0.00188 0.00883 -0.00057 152 18 H 1S 0.06046 0.00005 -0.09403 -0.06860 0.00000 153 2S 0.03875 0.00011 -0.19644 -0.13570 0.00001 154 19 H 1S 0.09106 -0.08753 0.00211 -0.12369 0.04078 155 2S 0.08667 0.39125 0.31372 0.18423 0.03445 156 20 H 1S 0.09107 0.08749 0.00223 -0.12371 -0.04074 157 2S 0.08666 -0.39156 0.31323 0.18432 -0.03443 158 21 H 1S -0.16538 0.00005 -0.13156 -0.22925 0.00000 159 2S -0.22743 0.00007 -0.20229 -0.31214 0.00000 160 22 O 1S -0.00213 -0.00738 0.00120 0.00433 0.00341 161 2S -0.14002 0.09623 -0.01349 -0.15645 -0.07770 162 2PX 0.10177 0.02721 -0.07665 0.02834 0.10071 163 2PY 0.15677 -0.21121 0.04019 0.11645 0.14928 164 2PZ -0.08782 0.05679 -0.03793 -0.04629 0.04631 165 3S 0.61748 -0.27802 0.08269 0.56833 0.54563 166 3PX 0.00941 -0.21876 0.04996 -0.01023 0.04125 167 3PY -0.19751 0.01620 -0.02280 -0.15430 -0.09889 168 3PZ -0.12210 -0.25860 0.06372 0.01226 -0.02142 169 4XX -0.04012 0.02053 -0.01298 -0.03964 0.00346 170 4YY 0.00208 -0.00018 0.02097 -0.00651 -0.01380 171 4ZZ -0.04405 0.01485 -0.01056 -0.04207 0.00360 172 4XY 0.00353 0.05395 -0.01831 -0.01248 -0.00359 173 4XZ 0.03600 -0.01615 -0.01284 0.02842 0.05646 174 4YZ -0.00378 0.05927 -0.02261 -0.01769 0.00434 175 23 O 1S -0.00213 0.00737 0.00121 0.00433 -0.00341 176 2S -0.14003 -0.09624 -0.01362 -0.15642 0.07771 177 2PX 0.10177 -0.02710 -0.07667 0.02835 -0.10070 178 2PY -0.15677 -0.21117 -0.04046 -0.11639 0.14926 179 2PZ -0.08782 -0.05677 -0.03800 -0.04628 -0.04630 180 3S 0.61747 0.27804 0.08308 0.56826 -0.54562 181 3PX 0.00941 0.21871 0.05023 -0.01029 -0.04127 182 3PY 0.19751 0.01620 0.02282 0.15430 -0.09889 183 3PZ -0.12209 0.25853 0.06404 0.01221 0.02140 184 4XX -0.04012 -0.02053 -0.01300 -0.03963 -0.00346 185 4YY 0.00208 0.00015 0.02096 -0.00651 0.01380 186 4ZZ -0.04405 -0.01484 -0.01058 -0.04207 -0.00360 187 4XY -0.00353 0.05393 0.01837 0.01247 -0.00359 188 4XZ 0.03600 0.01617 -0.01281 0.02841 -0.05646 189 4YZ 0.00378 0.05925 0.02268 0.01767 0.00434 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60745 0.61336 0.61822 0.63632 1 1 C 1S -0.04634 0.03203 0.00300 0.02863 0.00125 2 2S 0.00218 0.03536 0.14761 -0.06680 -0.05545 3 2PX 0.02273 -0.01884 -0.15829 -0.19097 0.12209 4 2PY 0.11234 -0.11476 0.06946 0.08338 0.01320 5 2PZ 0.00263 0.12854 0.05826 0.22814 -0.47154 6 3S -0.11850 0.08105 -0.47115 -0.23629 0.47035 7 3PX -0.30242 0.45277 0.09821 0.42898 -0.18801 8 3PY -0.07580 0.24774 -0.41830 -0.77728 0.26972 9 3PZ -0.12607 0.32251 -0.05047 -0.09676 0.60602 10 4XX 0.02316 -0.01963 0.01650 0.03104 -0.01820 11 4YY -0.03218 0.03853 0.02959 -0.03257 0.01887 12 4ZZ -0.04536 0.03158 -0.02861 0.01865 -0.00444 13 4XY 0.03579 -0.02178 -0.02097 -0.01418 0.02064 14 4XZ -0.06396 0.05132 -0.02246 0.00525 0.01100 15 4YZ -0.01036 0.03619 0.02631 0.01176 -0.01809 16 2 H 1S -0.23784 0.16238 0.10860 -0.05966 0.02500 17 2S 0.00870 0.03260 -0.24787 -0.31267 0.05902 18 3 C 1S 0.02298 -0.01985 0.00851 -0.02372 0.02650 19 2S -0.06298 0.14439 0.12631 -0.22306 -0.02181 20 2PX -0.22305 -0.05266 -0.48238 0.08584 0.26951 21 2PY 0.28149 -0.11552 -0.06869 -0.17273 -0.07865 22 2PZ -0.12529 0.25483 0.26133 0.06411 -0.15248 23 3S -0.04710 -0.00798 -0.11486 0.67908 -0.29958 24 3PX 0.19920 0.31596 0.61780 0.09401 -0.61319 25 3PY -0.30235 -0.24877 0.23426 0.19744 -0.08374 26 3PZ 0.02630 0.02190 -0.09248 0.11243 -0.09997 27 4XX -0.01057 -0.00316 -0.01416 -0.02516 0.02656 28 4YY 0.02674 0.01812 0.00208 -0.04656 0.01844 29 4ZZ 0.00416 -0.00134 0.06271 0.00918 -0.02956 30 4XY -0.01573 0.00192 -0.02490 -0.01469 -0.01089 31 4XZ 0.01701 -0.01539 0.04332 -0.03473 0.01491 32 4YZ -0.02141 0.00098 0.02861 -0.02742 0.00041 33 4 H 1S 0.01128 -0.04066 0.20326 -0.23025 0.06941 34 2S 0.00005 0.13963 0.08627 0.12276 -0.16896 35 5 C 1S 0.02297 0.01986 0.00851 -0.02371 -0.02650 36 2S -0.06297 -0.14433 0.12628 -0.22312 0.02180 37 2PX -0.22304 0.05265 -0.48241 0.08587 -0.26947 38 2PY -0.28151 -0.11562 0.06868 0.17268 -0.07867 39 2PZ -0.12529 -0.25492 0.26131 0.06399 0.15245 40 3S -0.04691 0.00773 -0.11483 0.67904 0.29960 41 3PX 0.19935 -0.31605 0.61781 0.09384 0.61314 42 3PY 0.30243 -0.24862 -0.23433 -0.19755 -0.08371 43 3PZ 0.02645 -0.02193 -0.09249 0.11240 0.09997 44 4XX -0.01057 0.00317 -0.01417 -0.02515 -0.02656 45 4YY 0.02673 -0.01810 0.00208 -0.04657 -0.01844 46 4ZZ 0.00416 0.00133 0.06271 0.00918 0.02956 47 4XY 0.01573 0.00191 0.02490 0.01469 -0.01089 48 4XZ 0.01700 0.01540 0.04333 -0.03472 -0.01491 49 4YZ 0.02141 0.00097 -0.02861 0.02742 0.00041 50 6 H 1S 0.01125 0.04073 0.20326 -0.23023 -0.06944 51 2S 0.00011 -0.13969 0.08626 0.12269 0.16894 52 7 C 1S -0.04633 -0.03205 0.00299 0.02861 -0.00126 53 2S 0.00217 -0.03533 0.14761 -0.06681 0.05543 54 2PX 0.02279 0.01895 -0.15831 -0.19095 -0.12207 55 2PY -0.11233 -0.11473 -0.06948 -0.08344 0.01317 56 2PZ 0.00263 -0.12864 0.05829 0.22807 0.47154 57 3S -0.11873 -0.08095 -0.47118 -0.23629 -0.47031 58 3PX -0.30239 -0.45299 0.09818 0.42877 0.18800 59 3PY 0.07593 0.24743 0.41835 0.77736 0.26971 60 3PZ -0.12596 -0.32249 -0.05055 -0.09689 -0.60600 61 4XX 0.02316 0.01962 0.01651 0.03105 0.01820 62 4YY -0.03217 -0.03853 0.02959 -0.03259 -0.01887 63 4ZZ -0.04535 -0.03159 -0.02862 0.01864 0.00444 64 4XY -0.03579 -0.02179 0.02097 0.01416 0.02064 65 4XZ -0.06396 -0.05133 -0.02246 0.00523 -0.01100 66 4YZ 0.01036 0.03620 -0.02630 -0.01174 -0.01809 67 8 H 1S -0.23783 -0.16239 0.10857 -0.05972 -0.02503 68 2S 0.00864 -0.03245 -0.24787 -0.31268 -0.05899 69 9 C 1S 0.01476 -0.00271 0.00444 -0.00859 -0.02529 70 2S -0.12546 0.14548 -0.01709 -0.01995 0.23407 71 2PX 0.00922 -0.09571 0.16358 0.06155 -0.07827 72 2PY 0.24640 0.04727 -0.05460 -0.33678 0.31950 73 2PZ 0.33542 -0.38618 0.05341 0.02709 0.01525 74 3S 0.33015 -0.51258 0.01857 -0.10266 -1.00039 75 3PX 0.05112 0.20276 -0.29575 -0.19836 0.18676 76 3PY -0.35163 0.01235 0.17829 0.64566 -0.75642 77 3PZ -0.39504 1.03872 -0.28628 -0.19747 0.11161 78 4XX -0.00545 -0.01707 0.02315 0.03488 0.03158 79 4YY 0.01433 0.00227 -0.02673 -0.06352 -0.03133 80 4ZZ -0.00035 0.02033 0.00270 0.00944 -0.00901 81 4XY 0.01811 -0.00334 -0.01065 0.00902 -0.00516 82 4XZ -0.00125 0.00807 0.00998 -0.01343 -0.02600 83 4YZ 0.00829 0.00057 -0.00253 0.04210 -0.01763 84 10 H 1S 0.02451 -0.02252 0.06170 0.03829 -0.04345 85 2S 0.03051 -0.10392 0.06994 0.06538 -0.16981 86 11 H 1S -0.01257 -0.06814 0.15690 0.00608 -0.03315 87 2S -0.01761 -0.01864 0.09272 0.12524 -0.13492 88 12 C 1S 0.01476 0.00271 0.00444 -0.00859 0.02529 89 2S -0.12546 -0.14548 -0.01713 -0.02001 -0.23408 90 2PX 0.00920 0.09567 0.16360 0.06158 0.07824 91 2PY -0.24644 0.04708 0.05464 0.33681 0.31950 92 2PZ 0.33540 0.38621 0.05345 0.02726 -0.01521 93 3S 0.33016 0.51267 0.01872 -0.10244 1.00039 94 3PX 0.05109 -0.20264 -0.29576 -0.19844 -0.18670 95 3PY 0.35159 0.01272 -0.17835 -0.64564 -0.75640 96 3PZ -0.39502 -1.03867 -0.28641 -0.19794 -0.11165 97 4XX -0.00545 0.01705 0.02315 0.03489 -0.03158 98 4YY 0.01433 -0.00224 -0.02672 -0.06352 0.03133 99 4ZZ -0.00035 -0.02033 0.00270 0.00943 0.00901 100 4XY -0.01810 -0.00334 0.01065 -0.00903 -0.00516 101 4XZ -0.00125 -0.00806 0.00998 -0.01344 0.02600 102 4YZ -0.00829 0.00059 0.00252 -0.04210 -0.01763 103 13 H 1S 0.02450 0.02249 0.06170 0.03830 0.04345 104 2S 0.03049 0.10390 0.06997 0.06543 0.16982 105 14 H 1S -0.01256 0.06812 0.15691 0.00612 0.03313 106 2S -0.01755 0.01859 0.09272 0.12526 0.13490 107 15 C 1S 0.00669 0.00000 0.00312 0.00172 0.00000 108 2S -0.03522 0.00000 -0.00716 -0.03272 -0.00001 109 2PX -0.08795 -0.00001 0.02116 0.02729 0.00000 110 2PY 0.00003 0.04615 0.00000 0.00003 0.00718 111 2PZ -0.04559 0.00002 0.08451 -0.12319 -0.00001 112 3S -0.01876 0.00000 -0.07424 0.07540 0.00002 113 3PX 0.46618 0.00002 -0.14468 0.05386 0.00002 114 3PY -0.00007 -0.09980 0.00000 -0.00006 -0.07584 115 3PZ 0.29358 -0.00008 -0.34153 0.52030 0.00005 116 4XX 0.00063 0.00000 -0.01685 0.00843 0.00000 117 4YY -0.00667 0.00000 0.01211 0.01984 0.00000 118 4ZZ 0.00256 0.00000 0.01031 -0.02789 0.00000 119 4XY 0.00000 -0.02052 0.00000 0.00000 -0.01141 120 4XZ 0.03121 0.00000 -0.01174 0.03021 0.00000 121 4YZ 0.00000 -0.00655 0.00000 0.00000 0.00526 122 16 C 1S -0.00534 0.01846 0.01199 -0.00898 0.01500 123 2S -0.34787 0.22844 0.13624 -0.21688 -0.14387 124 2PX -0.10739 0.17625 0.12777 -0.04001 0.01445 125 2PY 0.06050 -0.33688 0.16181 0.06933 -0.23770 126 2PZ -0.12501 0.23661 -0.04718 -0.12703 0.11714 127 3S 0.64533 -0.66077 0.03085 0.46156 0.68265 128 3PX 0.26537 -0.53528 -0.14762 0.14159 -0.17611 129 3PY -0.16171 0.33515 -0.39309 -0.20958 0.76947 130 3PZ 0.19570 -0.51824 -0.00419 0.06524 0.15660 131 4XX 0.01624 -0.02776 0.02564 0.00533 -0.05022 132 4YY -0.03596 0.06434 0.03863 -0.01184 0.04353 133 4ZZ -0.01959 -0.00800 -0.02288 -0.02911 -0.00402 134 4XY -0.01726 0.00329 0.01258 -0.01361 -0.00558 135 4XZ -0.01731 -0.00244 0.01811 -0.01522 0.00562 136 4YZ -0.04664 0.00510 0.00045 -0.05783 0.00839 137 17 C 1S -0.00534 -0.01846 0.01198 -0.00899 -0.01500 138 2S -0.34783 -0.22840 0.13623 -0.21696 0.14382 139 2PX -0.10731 -0.17627 0.12773 -0.04009 -0.01448 140 2PY -0.06042 -0.33682 -0.16190 -0.06946 -0.23766 141 2PZ -0.12496 -0.23656 -0.04721 -0.12710 -0.11715 142 3S 0.64535 0.66066 0.03087 0.46192 -0.68262 143 3PX 0.26520 0.53528 -0.14750 0.14186 0.17617 144 3PY 0.16158 0.33501 0.39323 0.20962 0.76940 145 3PZ 0.19566 0.51823 -0.00416 0.06545 -0.15656 146 4XX 0.01624 0.02775 0.02565 0.00534 0.05022 147 4YY -0.03595 -0.06434 0.03861 -0.01187 -0.04354 148 4ZZ -0.01960 0.00802 -0.02287 -0.02911 0.00402 149 4XY 0.01726 0.00329 -0.01258 0.01361 -0.00558 150 4XZ -0.01731 0.00244 0.01811 -0.01522 -0.00562 151 4YZ 0.04663 0.00508 -0.00044 0.05783 0.00840 152 18 H 1S -0.08737 0.00000 -0.00096 -0.02266 0.00000 153 2S -0.20523 -0.00002 0.09475 -0.00137 -0.00001 154 19 H 1S -0.17106 0.09524 0.00253 -0.28347 0.20251 155 2S 0.04883 -0.04657 -0.18005 0.01045 0.24487 156 20 H 1S -0.17105 -0.09514 0.00248 -0.28351 -0.20253 157 2S 0.04885 0.04658 -0.18006 0.01050 -0.24483 158 21 H 1S -0.08741 0.00003 0.10538 -0.19911 -0.00002 159 2S -0.05873 0.00003 0.14876 -0.19911 -0.00002 160 22 O 1S 0.00312 0.00518 0.00037 0.00268 0.00253 161 2S -0.02582 -0.02871 0.01995 -0.06332 -0.05442 162 2PX -0.05919 -0.07567 -0.00531 0.02994 -0.01945 163 2PY -0.10302 -0.09271 -0.03124 -0.13873 -0.02636 164 2PZ -0.03147 -0.05434 0.04676 -0.04801 0.04085 165 3S -0.12394 -0.39285 -0.09169 0.00202 0.03956 166 3PX 0.10636 0.16424 0.02304 0.05359 0.02385 167 3PY 0.01746 0.07620 -0.03009 0.02717 -0.03778 168 3PZ 0.10302 0.11051 0.00082 0.02988 0.03692 169 4XX -0.03161 -0.04998 -0.00151 -0.03268 -0.03824 170 4YY -0.00102 0.00502 0.00502 -0.02293 -0.00362 171 4ZZ -0.00326 -0.00952 0.00514 -0.01444 -0.00613 172 4XY -0.01986 -0.01737 -0.00225 -0.02097 0.00113 173 4XZ -0.03220 -0.05518 0.00744 -0.01458 -0.01014 174 4YZ -0.00812 -0.01179 0.00720 -0.00979 0.00318 175 23 O 1S 0.00312 -0.00518 0.00036 0.00267 -0.00253 176 2S -0.02580 0.02872 0.01996 -0.06330 0.05441 177 2PX -0.05922 0.07565 -0.00529 0.02996 0.01945 178 2PY 0.10307 -0.09276 0.03122 0.13871 -0.02636 179 2PZ -0.03148 0.05435 0.04676 -0.04798 -0.04086 180 3S -0.12408 0.39284 -0.09164 0.00217 -0.03955 181 3PX 0.10636 -0.16424 0.02301 0.05351 -0.02384 182 3PY -0.01749 0.07620 0.03009 -0.02714 -0.03780 183 3PZ 0.10302 -0.11050 0.00079 0.02982 -0.03692 184 4XX -0.03162 0.04999 -0.00150 -0.03266 0.03823 185 4YY -0.00101 -0.00501 0.00502 -0.02294 0.00361 186 4ZZ -0.00326 0.00953 0.00514 -0.01444 0.00613 187 4XY 0.01987 -0.01738 0.00225 0.02096 0.00113 188 4XZ -0.03222 0.05518 0.00745 -0.01456 0.01014 189 4YZ 0.00812 -0.01180 -0.00720 0.00978 0.00318 81 82 83 84 85 V V V V V Eigenvalues -- 0.66310 0.67864 0.71284 0.72295 0.74095 1 1 C 1S 0.01596 0.00039 0.01539 0.00176 0.01016 2 2S -0.13206 0.19970 -0.31510 -0.15332 0.06521 3 2PX 0.20699 -0.02791 0.22082 0.27926 -0.33086 4 2PY -0.09183 0.21999 -0.38861 0.10230 -0.03102 5 2PZ 0.16100 -0.02597 0.03737 -0.57874 0.07844 6 3S 0.52250 -0.56529 0.75200 0.51748 0.17590 7 3PX 0.05435 0.06058 -0.79463 -0.18624 0.62131 8 3PY 0.31396 -0.59572 0.95196 -0.28853 0.04438 9 3PZ -0.20159 0.12223 -0.14077 1.37174 -0.13339 10 4XX -0.03425 0.01573 -0.00042 0.00462 -0.00739 11 4YY 0.02155 0.01496 0.02479 -0.04487 -0.00828 12 4ZZ 0.01796 -0.02116 -0.01896 0.02190 0.03449 13 4XY -0.01044 -0.01117 0.00613 0.01329 -0.01578 14 4XZ 0.03370 0.00782 0.01104 0.00162 0.00900 15 4YZ -0.02062 -0.02494 -0.01127 0.01104 0.00453 16 2 H 1S 0.14271 0.13520 0.05761 -0.09198 -0.02556 17 2S -0.00286 -0.13456 0.31151 -0.05837 0.02090 18 3 C 1S -0.04388 0.04067 -0.02180 -0.00064 0.02250 19 2S 0.18408 0.01605 -0.19119 0.03960 -0.11331 20 2PX 0.42796 0.01939 -0.02959 -0.14860 0.36925 21 2PY 0.24115 -0.19972 -0.19009 0.00923 -0.10202 22 2PZ -0.16980 0.06710 0.12738 0.11286 -0.23457 23 3S -0.68047 0.05563 -0.49758 0.33120 0.36079 24 3PX -0.68502 -0.02031 -0.17955 0.43549 -0.95739 25 3PY -0.61389 -0.00951 0.28711 -0.08033 0.15894 26 3PZ 0.27646 -0.18099 -0.44523 -0.17946 0.40927 27 4XX 0.01811 0.00021 -0.01718 -0.00203 -0.00082 28 4YY -0.05569 0.03384 -0.03660 0.00924 0.01786 29 4ZZ -0.00473 0.01635 -0.01256 0.00319 -0.01677 30 4XY 0.00622 0.00961 0.05105 -0.03840 -0.00901 31 4XZ -0.04064 0.04480 -0.05958 0.00287 0.01295 32 4YZ 0.01271 0.00701 0.03754 -0.01361 -0.00663 33 4 H 1S -0.15107 0.17445 -0.03564 -0.04063 0.03725 34 2S -0.04249 -0.24959 -0.17661 0.10223 -0.11766 35 5 C 1S 0.04388 -0.04067 -0.02180 -0.00064 -0.02249 36 2S -0.18409 -0.01606 -0.19119 0.03960 0.11327 37 2PX -0.42796 -0.01939 -0.02958 -0.14854 -0.36926 38 2PY 0.24116 -0.19971 0.19010 -0.00924 -0.10207 39 2PZ 0.16982 -0.06711 0.12739 0.11282 0.23452 40 3S 0.68049 -0.05559 -0.49755 0.33117 -0.36059 41 3PX 0.68504 0.02032 -0.17952 0.43534 0.95745 42 3PY -0.61391 -0.00951 -0.28711 0.08033 0.15906 43 3PZ -0.27649 0.18100 -0.44521 -0.17942 -0.40920 44 4XX -0.01811 -0.00021 -0.01718 -0.00203 0.00082 45 4YY 0.05569 -0.03384 -0.03659 0.00923 -0.01786 46 4ZZ 0.00473 -0.01635 -0.01256 0.00319 0.01676 47 4XY 0.00623 0.00961 -0.05105 0.03840 -0.00900 48 4XZ 0.04064 -0.04480 -0.05958 0.00288 -0.01294 49 4YZ 0.01271 0.00701 -0.03754 0.01361 -0.00662 50 6 H 1S 0.15107 -0.17446 -0.03563 -0.04063 -0.03721 51 2S 0.04250 0.24959 -0.17659 0.10221 0.11765 52 7 C 1S -0.01596 -0.00039 0.01539 0.00176 -0.01016 53 2S 0.13207 -0.19969 -0.31510 -0.15331 -0.06529 54 2PX -0.20697 0.02792 0.22085 0.27921 0.33077 55 2PY -0.09183 0.21998 0.38861 -0.10227 -0.03098 56 2PZ -0.16101 0.02598 0.03739 -0.57873 -0.07858 57 3S -0.52255 0.56527 0.75192 0.51755 -0.17575 58 3PX -0.05438 -0.06058 -0.79465 -0.18619 -0.62111 59 3PY 0.31401 -0.59568 -0.95193 0.28843 0.04432 60 3PZ 0.20163 -0.12224 -0.14081 1.37173 0.13376 61 4XX 0.03425 -0.01573 -0.00042 0.00462 0.00739 62 4YY -0.02155 -0.01496 0.02478 -0.04486 0.00827 63 4ZZ -0.01796 0.02116 -0.01896 0.02190 -0.03449 64 4XY -0.01044 -0.01117 -0.00613 -0.01329 -0.01579 65 4XZ -0.03370 -0.00782 0.01104 0.00162 -0.00901 66 4YZ -0.02062 -0.02494 0.01127 -0.01104 0.00453 67 8 H 1S -0.14271 -0.13520 0.05761 -0.09198 0.02553 68 2S 0.00285 0.13455 0.31150 -0.05836 -0.02087 69 9 C 1S 0.01274 0.02764 0.00405 -0.02146 -0.00407 70 2S -0.06129 -0.31581 -0.10737 0.11677 0.02068 71 2PX -0.07091 -0.01416 -0.09437 -0.04703 0.06435 72 2PY -0.29694 -0.45372 0.08266 -0.29171 -0.06678 73 2PZ -0.12000 0.24318 -0.14121 -0.10983 -0.12071 74 3S 0.24890 1.09506 0.30032 -0.91140 0.10599 75 3PX 0.11568 -0.11553 0.30586 0.18916 -0.20512 76 3PY 0.62614 1.47159 -0.38876 0.66707 0.24689 77 3PZ 0.33570 -0.97868 0.40946 0.37628 0.37417 78 4XX -0.01800 -0.00983 -0.02291 0.03437 -0.00570 79 4YY 0.02988 0.03743 0.01017 -0.01434 0.00687 80 4ZZ -0.00502 -0.02596 0.00642 -0.04539 -0.00191 81 4XY -0.00145 -0.00091 0.01800 -0.02754 -0.00017 82 4XZ 0.00004 -0.01833 -0.01215 -0.00580 0.00857 83 4YZ 0.00861 0.00201 -0.06657 0.00367 0.00239 84 10 H 1S 0.02140 0.19717 0.07245 -0.18926 0.00218 85 2S 0.05692 0.36654 -0.28872 0.09148 -0.09153 86 11 H 1S 0.02425 0.14080 -0.07598 0.01297 -0.05507 87 2S 0.07945 0.35722 -0.19642 -0.08529 0.07307 88 12 C 1S -0.01274 -0.02764 0.00405 -0.02146 0.00407 89 2S 0.06129 0.31581 -0.10737 0.11678 -0.02068 90 2PX 0.07090 0.01416 -0.09434 -0.04703 -0.06435 91 2PY -0.29694 -0.45371 -0.08266 0.29173 -0.06672 92 2PZ 0.12000 -0.24319 -0.14121 -0.10985 0.12063 93 3S -0.24891 -1.09507 0.30034 -0.91141 -0.10617 94 3PX -0.11566 0.11554 0.30577 0.18916 0.20514 95 3PY 0.62613 1.47154 0.38872 -0.66710 0.24679 96 3PZ -0.33571 0.97872 0.40944 0.37636 -0.37392 97 4XX 0.01800 0.00983 -0.02291 0.03437 0.00570 98 4YY -0.02988 -0.03743 0.01017 -0.01434 -0.00687 99 4ZZ 0.00502 0.02596 0.00643 -0.04539 0.00190 100 4XY -0.00145 -0.00092 -0.01800 0.02754 -0.00017 101 4XZ -0.00004 0.01833 -0.01215 -0.00580 -0.00857 102 4YZ 0.00861 0.00201 0.06657 -0.00366 0.00241 103 13 H 1S -0.02140 -0.19718 0.07244 -0.18925 -0.00222 104 2S -0.05690 -0.36653 -0.28871 0.09146 0.09145 105 14 H 1S -0.02425 -0.14079 -0.07597 0.01296 0.05504 106 2S -0.07945 -0.35722 -0.19639 -0.08530 -0.07312 107 15 C 1S 0.00000 0.00000 -0.00783 -0.00063 0.00000 108 2S 0.00000 -0.00001 -0.02801 0.03199 0.00002 109 2PX 0.00000 0.00000 -0.14182 0.04279 -0.00001 110 2PY -0.00687 -0.11704 -0.00001 0.00000 -0.00311 111 2PZ -0.00001 -0.00001 0.19909 -0.00988 0.00001 112 3S 0.00001 0.00002 0.07508 -0.03188 -0.00005 113 3PX -0.00001 0.00000 0.55936 -0.11965 0.00000 114 3PY 0.02798 0.23137 0.00001 0.00000 -0.09595 115 3PZ 0.00003 0.00002 -0.30154 0.09419 -0.00005 116 4XX 0.00000 0.00000 -0.01678 0.00896 0.00000 117 4YY 0.00000 0.00000 0.00978 0.02204 0.00000 118 4ZZ 0.00000 0.00000 0.00297 -0.01696 0.00000 119 4XY 0.01310 -0.01827 0.00000 0.00000 -0.02573 120 4XZ 0.00000 0.00000 0.03377 0.01113 0.00000 121 4YZ 0.00173 -0.01540 0.00000 0.00000 -0.01045 122 16 C 1S 0.00159 0.01346 0.00635 -0.01662 0.00627 123 2S -0.09428 -0.02714 -0.16164 -0.11902 0.33763 124 2PX -0.29352 0.08902 0.01228 -0.09397 0.31933 125 2PY -0.09443 -0.20692 0.16818 0.02563 0.38117 126 2PZ 0.10988 0.05382 -0.22047 0.06953 0.00963 127 3S 0.51533 0.34678 0.49885 0.50445 -1.87027 128 3PX 0.68354 -0.25183 0.15936 0.02796 -1.00556 129 3PY 0.32282 0.69178 -0.37818 -0.19759 -1.04135 130 3PZ -0.05509 0.03162 0.45947 0.00681 -0.60754 131 4XX -0.01614 -0.03512 0.03093 -0.02276 0.01324 132 4YY 0.01972 0.03974 0.00458 -0.01105 -0.05512 133 4ZZ 0.00312 0.00451 -0.03592 0.00309 0.02736 134 4XY -0.00430 -0.00343 -0.03108 -0.02833 0.01761 135 4XZ 0.00650 -0.00721 0.00864 -0.00055 -0.00376 136 4YZ -0.00049 0.00722 0.00740 -0.00894 0.00474 137 17 C 1S -0.00159 -0.01346 0.00635 -0.01662 -0.00627 138 2S 0.09427 0.02713 -0.16163 -0.11901 -0.33765 139 2PX 0.29350 -0.08902 0.01226 -0.09394 -0.31926 140 2PY -0.09443 -0.20691 -0.16819 -0.02565 0.38116 141 2PZ -0.10988 -0.05383 -0.22045 0.06951 -0.00965 142 3S -0.51528 -0.34678 0.49876 0.50442 1.87027 143 3PX -0.68353 0.25184 0.15937 0.02790 1.00547 144 3PY 0.32284 0.69176 0.37828 0.19757 -1.04135 145 3PZ 0.05510 -0.03159 0.45942 0.00686 0.60750 146 4XX 0.01614 0.03512 0.03093 -0.02276 -0.01323 147 4YY -0.01972 -0.03975 0.00458 -0.01105 0.05512 148 4ZZ -0.00312 -0.00451 -0.03592 0.00309 -0.02736 149 4XY -0.00430 -0.00343 0.03108 0.02833 0.01761 150 4XZ -0.00650 0.00721 0.00865 -0.00055 0.00375 151 4YZ -0.00048 0.00722 -0.00740 0.00894 0.00476 152 18 H 1S 0.00000 0.00000 -0.21862 -0.02975 0.00002 153 2S 0.00001 0.00000 -0.28120 0.08710 0.00000 154 19 H 1S 0.02599 0.17401 0.04821 -0.06175 0.07845 155 2S 0.06706 0.13577 0.01404 -0.06305 -0.39555 156 20 H 1S -0.02601 -0.17402 0.04820 -0.06173 -0.07849 157 2S -0.06705 -0.13576 0.01399 -0.06303 0.39557 158 21 H 1S -0.00001 0.00000 -0.08947 -0.09401 0.00002 159 2S -0.00001 -0.00001 0.25174 0.00812 0.00004 160 22 O 1S -0.00051 0.00501 0.00676 0.00640 0.00806 161 2S -0.03361 -0.00154 -0.02275 0.00862 0.04024 162 2PX 0.05324 -0.09546 -0.18954 -0.02525 -0.09264 163 2PY 0.02602 -0.10261 -0.10304 -0.06959 -0.07013 164 2PZ -0.00900 0.10321 0.08257 0.01062 0.05267 165 3S 0.25049 -0.25292 -0.28662 -0.18767 -0.61529 166 3PX -0.04276 0.08564 0.22148 0.10723 0.24802 167 3PY -0.05044 0.05911 0.07819 0.06085 0.16547 168 3PZ -0.06205 -0.02941 0.03332 0.01416 0.09699 169 4XX -0.00802 -0.02371 -0.04354 0.00609 0.00328 170 4YY -0.00430 0.01188 -0.00046 -0.00068 -0.00726 171 4ZZ -0.00240 -0.00408 0.00699 0.00567 0.02207 172 4XY 0.00575 0.00622 -0.00991 -0.00274 -0.02695 173 4XZ 0.01985 -0.01616 -0.02284 -0.00366 -0.03065 174 4YZ 0.02323 0.00582 -0.00950 -0.01709 -0.04016 175 23 O 1S 0.00051 -0.00501 0.00676 0.00640 -0.00806 176 2S 0.03360 0.00154 -0.02275 0.00862 -0.04023 177 2PX -0.05324 0.09546 -0.18953 -0.02525 0.09267 178 2PY 0.02604 -0.10260 0.10303 0.06959 -0.07012 179 2PZ 0.00899 -0.10322 0.08256 0.01064 -0.05266 180 3S -0.25050 0.25292 -0.28662 -0.18769 0.61530 181 3PX 0.04276 -0.08564 0.22147 0.10724 -0.24804 182 3PY -0.05045 0.05910 -0.07820 -0.06085 0.16548 183 3PZ 0.06205 0.02941 0.03332 0.01416 -0.09700 184 4XX 0.00802 0.02371 -0.04354 0.00609 -0.00328 185 4YY 0.00429 -0.01188 -0.00046 -0.00068 0.00727 186 4ZZ 0.00240 0.00408 0.00699 0.00568 -0.02207 187 4XY 0.00575 0.00622 0.00991 0.00274 -0.02695 188 4XZ -0.01985 0.01616 -0.02285 -0.00366 0.03066 189 4YZ 0.02323 0.00582 0.00950 0.01709 -0.04016 86 87 88 89 90 V V V V V Eigenvalues -- 0.75192 0.77534 0.79576 0.79876 0.81066 1 1 C 1S -0.00364 0.00522 -0.00442 -0.01244 -0.00368 2 2S -0.17622 0.08609 0.11670 0.14772 -0.00322 3 2PX -0.41628 -0.21920 0.10481 -0.33529 0.05391 4 2PY -0.22972 0.15294 0.07256 -0.01575 0.06665 5 2PZ -0.27845 -0.08721 -0.02468 0.12333 -0.05967 6 3S 0.19709 -0.49498 0.00080 0.06550 0.15984 7 3PX 0.69191 0.69102 -0.20461 0.06787 -0.08208 8 3PY 0.47394 -0.59549 0.02662 0.41755 -0.08684 9 3PZ 0.77519 0.49076 0.10625 -0.62800 0.13150 10 4XX -0.02387 0.01243 -0.01285 0.01375 0.00267 11 4YY -0.00044 -0.00934 0.02460 0.03468 0.00559 12 4ZZ -0.00089 -0.00543 -0.00010 -0.03133 -0.01207 13 4XY 0.03315 0.02530 -0.01053 0.02774 0.00233 14 4XZ -0.03610 0.00901 0.00062 0.01369 0.00640 15 4YZ 0.01606 0.00939 -0.00112 0.00123 -0.00263 16 2 H 1S -0.07058 -0.02066 0.08802 -0.06265 0.03361 17 2S 0.19767 -0.22047 -0.03852 0.13048 -0.09519 18 3 C 1S 0.02614 0.00434 0.01010 0.00282 0.00894 19 2S -0.18338 -0.00532 0.02135 0.10203 -0.01159 20 2PX 0.00037 -0.01311 0.15230 0.00880 0.07070 21 2PY 0.17741 0.09375 0.07420 0.41308 0.05464 22 2PZ -0.20899 -0.05862 -0.01458 -0.05191 0.00629 23 3S 0.63244 0.79595 -0.00413 -1.19722 0.04471 24 3PX 0.02019 0.23368 -0.20497 -0.73942 -0.09402 25 3PY -0.45064 -0.33678 -0.08850 -0.93630 -0.05494 26 3PZ 0.28704 0.28225 -0.06379 -0.46185 -0.08810 27 4XX 0.01613 0.00730 0.01226 0.02297 -0.00287 28 4YY 0.00606 0.01563 -0.00026 -0.05609 -0.00166 29 4ZZ -0.01694 -0.00734 -0.00270 0.02453 0.01067 30 4XY 0.00137 -0.03614 0.02548 -0.00658 0.01299 31 4XZ 0.03199 0.01440 0.02370 0.01563 0.01700 32 4YZ -0.01575 -0.05236 0.02055 -0.01726 0.01238 33 4 H 1S 0.18819 -0.11665 0.15132 -0.07365 0.09803 34 2S -0.12503 0.15332 -0.24642 -0.49984 -0.18105 35 5 C 1S 0.02614 0.00434 0.01010 -0.00282 0.00894 36 2S -0.18342 -0.00533 0.02141 -0.10198 -0.01160 37 2PX 0.00045 -0.01312 0.15231 -0.00870 0.07072 38 2PY -0.17735 -0.09375 -0.07440 0.41305 -0.05460 39 2PZ -0.20906 -0.05863 -0.01459 0.05193 0.00628 40 3S 0.63270 0.79600 -0.00479 1.19717 0.04475 41 3PX 0.02006 0.23373 -0.20534 0.73931 -0.09407 42 3PY 0.45056 0.33678 0.08896 -0.93631 0.05487 43 3PZ 0.28725 0.28226 -0.06407 0.46175 -0.08806 44 4XX 0.01613 0.00730 0.01227 -0.02297 -0.00287 45 4YY 0.00607 0.01562 -0.00028 0.05610 -0.00165 46 4ZZ -0.01695 -0.00734 -0.00269 -0.02452 0.01067 47 4XY -0.00137 0.03614 -0.02548 -0.00658 -0.01299 48 4XZ 0.03200 0.01440 0.02371 -0.01562 0.01700 49 4YZ 0.01575 0.05236 -0.02054 -0.01726 -0.01239 50 6 H 1S 0.18821 -0.11664 0.15128 0.07371 0.09803 51 2S -0.12502 0.15331 -0.24666 0.49973 -0.18103 52 7 C 1S -0.00364 0.00522 -0.00442 0.01244 -0.00368 53 2S -0.17619 0.08609 0.11676 -0.14765 -0.00321 54 2PX -0.41634 -0.21921 0.10467 0.33538 0.05391 55 2PY 0.22974 -0.15294 -0.07253 -0.01582 -0.06664 56 2PZ -0.27841 -0.08724 -0.02463 -0.12336 -0.05965 57 3S 0.19697 -0.49499 0.00094 -0.06546 0.15981 58 3PX 0.69211 0.69105 -0.20463 -0.06801 -0.08206 59 3PY -0.47389 0.59550 -0.02690 0.41756 0.08683 60 3PZ 0.77515 0.49084 0.10600 0.62812 0.13141 61 4XX -0.02387 0.01243 -0.01284 -0.01376 0.00266 62 4YY -0.00044 -0.00934 0.02462 -0.03468 0.00559 63 4ZZ -0.00088 -0.00543 -0.00012 0.03133 -0.01206 64 4XY -0.03314 -0.02530 0.01052 0.02775 -0.00233 65 4XZ -0.03610 0.00901 0.00063 -0.01369 0.00640 66 4YZ -0.01606 -0.00940 0.00113 0.00123 0.00263 67 8 H 1S -0.07059 -0.02066 0.08799 0.06269 0.03361 68 2S 0.19765 -0.22049 -0.03842 -0.13052 -0.09518 69 9 C 1S -0.01430 -0.00144 0.01021 0.00337 0.00155 70 2S -0.07870 -0.05380 0.08828 -0.05457 0.13033 71 2PX 0.00151 0.01215 -0.00060 -0.02171 0.23550 72 2PY -0.08151 -0.14036 0.03137 0.15105 -0.02901 73 2PZ -0.19755 -0.00082 0.01150 0.04057 -0.00150 74 3S -0.21532 -0.31018 -0.24920 -0.06219 -0.33392 75 3PX 0.06516 -0.22129 0.12606 0.26994 -0.25723 76 3PY 0.03211 0.42751 0.07871 -0.90859 0.14237 77 3PZ 0.71005 0.01462 -0.13319 -0.16147 -0.05156 78 4XX -0.00973 0.01238 0.01484 -0.03257 -0.00059 79 4YY -0.00112 -0.03907 -0.00639 -0.01821 0.00522 80 4ZZ -0.02405 0.00851 0.01128 0.04475 0.01801 81 4XY 0.00159 -0.01427 0.05795 0.01106 0.06475 82 4XZ -0.01088 -0.03285 -0.02168 -0.05820 -0.03920 83 4YZ -0.06529 0.02028 -0.01704 -0.00414 -0.01549 84 10 H 1S -0.04970 0.00836 0.28280 0.21553 0.26124 85 2S -0.31923 -0.06007 -0.05749 -0.23106 -0.26227 86 11 H 1S -0.13399 -0.00775 -0.02967 -0.24533 -0.17450 87 2S -0.19869 0.24871 0.11794 -0.14619 0.40879 88 12 C 1S -0.01431 -0.00144 0.01021 -0.00336 0.00156 89 2S -0.07870 -0.05379 0.08825 0.05464 0.13033 90 2PX 0.00157 0.01214 -0.00062 0.02169 0.23553 91 2PY 0.08153 0.14037 -0.03143 0.15105 0.02899 92 2PZ -0.19756 -0.00081 0.01151 -0.04054 -0.00148 93 3S -0.21525 -0.31017 -0.24928 0.06198 -0.33393 94 3PX 0.06496 -0.22127 0.12624 -0.26984 -0.25735 95 3PY -0.03225 -0.42757 -0.07828 -0.90868 -0.14230 96 3PZ 0.71008 0.01459 -0.13320 0.16133 -0.05162 97 4XX -0.00973 0.01238 0.01482 0.03258 -0.00059 98 4YY -0.00112 -0.03906 -0.00640 0.01821 0.00522 99 4ZZ -0.02405 0.00851 0.01130 -0.04474 0.01801 100 4XY -0.00159 0.01427 -0.05796 0.01104 -0.06475 101 4XZ -0.01087 -0.03285 -0.02171 0.05819 -0.03920 102 4YZ 0.06529 -0.02028 0.01704 -0.00414 0.01549 103 13 H 1S -0.04972 0.00836 0.28290 -0.21540 0.26123 104 2S -0.31924 -0.06005 -0.05760 0.23110 -0.26229 105 14 H 1S -0.13398 -0.00774 -0.02978 0.24534 -0.17449 106 2S -0.19862 0.24871 0.11784 0.14623 0.40884 107 15 C 1S 0.01848 -0.04862 -0.04327 -0.00001 -0.00668 108 2S 0.14048 -0.18561 0.30356 0.00007 0.07900 109 2PX -0.00299 -0.23768 0.30546 0.00009 -0.52111 110 2PY 0.00000 -0.00001 0.00001 -0.03516 -0.00001 111 2PZ -0.03258 0.29830 -0.13041 -0.00005 0.54525 112 3S -0.28963 0.54419 -0.33308 -0.00009 -0.07947 113 3PX -0.17780 1.11562 -0.89954 -0.00025 0.98127 114 3PY 0.00002 0.00002 -0.00001 0.07331 0.00003 115 3PZ -0.18591 -0.59083 0.07308 0.00007 -1.15923 116 4XX -0.00498 -0.09623 -0.12697 -0.00003 0.12281 117 4YY 0.04201 -0.04464 0.11346 0.00002 0.02762 118 4ZZ 0.01957 0.04305 0.01524 0.00001 -0.14230 119 4XY 0.00000 0.00000 0.00000 0.00190 0.00000 120 4XZ -0.01847 0.03503 -0.02836 -0.00001 -0.01314 121 4YZ 0.00000 0.00000 0.00000 -0.00206 0.00000 122 16 C 1S 0.00559 0.01483 0.00122 0.00873 -0.00521 123 2S -0.00669 -0.01752 0.27431 -0.08432 0.14330 124 2PX 0.28091 0.13337 0.14426 0.02145 0.03729 125 2PY 0.05702 -0.10263 0.08560 -0.32540 -0.01280 126 2PZ -0.11538 -0.16837 0.21094 -0.30744 0.05068 127 3S -0.20984 -0.44507 -0.11661 0.86555 -0.17993 128 3PX -0.33002 -0.19933 -0.32697 0.36644 -0.11898 129 3PY -0.05334 0.51303 -0.27726 1.44263 0.02972 130 3PZ -0.00327 0.29679 -0.38725 0.97805 -0.01302 131 4XX 0.00321 0.00238 -0.01600 -0.01520 0.01455 132 4YY 0.00802 -0.02458 0.04110 0.05817 0.01664 133 4ZZ -0.02589 0.03924 -0.00121 -0.00835 -0.02621 134 4XY 0.01244 0.03738 -0.04754 -0.00418 -0.00154 135 4XZ -0.03421 0.04480 0.02657 -0.01004 0.01019 136 4YZ -0.04433 0.01528 -0.05744 -0.00394 -0.01655 137 17 C 1S 0.00559 0.01483 0.00122 -0.00873 -0.00521 138 2S -0.00657 -0.01752 0.27425 0.08443 0.14330 139 2PX 0.28099 0.13338 0.14425 -0.02143 0.03728 140 2PY -0.05716 0.10260 -0.08543 -0.32544 0.01280 141 2PZ -0.11535 -0.16834 0.21077 0.30756 0.05070 142 3S -0.21053 -0.44524 -0.11609 -0.86555 -0.17995 143 3PX -0.33033 -0.19945 -0.32674 -0.36656 -0.11898 144 3PY 0.05380 -0.51287 0.27652 1.44279 -0.02972 145 3PZ -0.00357 0.29661 -0.38668 -0.97821 -0.01309 146 4XX 0.00321 0.00238 -0.01601 0.01519 0.01455 147 4YY 0.00800 -0.02459 0.04113 -0.05816 0.01664 148 4ZZ -0.02587 0.03924 -0.00121 0.00835 -0.02621 149 4XY -0.01244 -0.03738 0.04754 -0.00415 0.00154 150 4XZ -0.03421 0.04480 0.02656 0.01005 0.01019 151 4YZ 0.04433 -0.01528 0.05745 -0.00392 0.01655 152 18 H 1S 0.10145 -0.57534 -0.60146 -0.00014 0.47781 153 2S 0.15615 -0.46807 1.17189 0.00031 -1.23795 154 19 H 1S -0.17329 0.27548 -0.17693 -0.01100 -0.05791 155 2S 0.20587 0.17648 -0.06808 0.86350 0.13301 156 20 H 1S -0.17327 0.27549 -0.17694 0.01092 -0.05792 157 2S 0.20567 0.17636 -0.06760 -0.86355 0.13300 158 21 H 1S 0.17112 -0.08885 -0.07451 -0.00001 -0.57016 159 2S 0.10702 0.21341 -0.17735 -0.00008 1.38426 160 22 O 1S -0.00228 -0.00477 0.01091 0.00258 0.00365 161 2S 0.03325 -0.20362 -0.12875 0.00834 -0.03431 162 2PX 0.11622 -0.16451 -0.11465 -0.09448 0.05626 163 2PY -0.05493 0.07746 -0.16284 -0.01584 -0.03906 164 2PZ 0.04618 -0.10385 -0.05952 0.13502 -0.09413 165 3S 0.08741 0.47802 0.21452 0.13052 0.07239 166 3PX -0.14076 -0.04415 0.13124 0.04631 -0.14493 167 3PY 0.01062 -0.00199 0.14901 -0.08602 0.04952 168 3PZ -0.08623 0.10575 0.00563 -0.07983 0.17253 169 4XX 0.02034 -0.04560 0.02137 0.00032 -0.03066 170 4YY -0.00069 -0.05634 -0.09114 0.03292 -0.02225 171 4ZZ 0.01124 -0.08585 -0.03368 -0.01157 0.03290 172 4XY -0.01725 0.00912 -0.03636 0.03031 0.03039 173 4XZ 0.02290 -0.01176 0.05259 0.01333 0.01910 174 4YZ 0.00364 0.03774 -0.00780 0.00410 -0.03293 175 23 O 1S -0.00228 -0.00477 0.01091 -0.00257 0.00365 176 2S 0.03327 -0.20361 -0.12876 -0.00839 -0.03432 177 2PX 0.11619 -0.16452 -0.11468 0.09443 0.05627 178 2PY 0.05495 -0.07745 0.16285 -0.01578 0.03906 179 2PZ 0.04619 -0.10385 -0.05946 -0.13505 -0.09414 180 3S 0.08719 0.47794 0.21464 -0.13044 0.07240 181 3PX -0.14068 -0.04412 0.13124 -0.04625 -0.14493 182 3PY -0.01068 0.00196 -0.14895 -0.08609 -0.04953 183 3PZ -0.08620 0.10575 0.00560 0.07983 0.17254 184 4XX 0.02034 -0.04560 0.02137 -0.00030 -0.03067 185 4YY -0.00069 -0.05634 -0.09112 -0.03295 -0.02225 186 4ZZ 0.01125 -0.08585 -0.03368 0.01156 0.03290 187 4XY 0.01726 -0.00911 0.03634 0.03033 -0.03039 188 4XZ 0.02289 -0.01176 0.05260 -0.01331 0.01910 189 4YZ -0.00363 -0.03773 0.00780 0.00411 0.03292 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84200 0.85444 0.86452 0.88062 1 1 C 1S 0.00195 0.00721 -0.00749 0.00082 0.00289 2 2S -0.10213 0.10687 0.08926 -0.16331 0.10388 3 2PX 0.12943 -0.06523 -0.00989 0.08906 0.07344 4 2PY -0.17556 -0.05039 -0.00831 -0.09112 0.05768 5 2PZ -0.30210 0.03919 0.01425 -0.21701 -0.02470 6 3S 1.31984 -0.35582 -0.73826 0.80179 -0.42183 7 3PX -0.67135 -0.13337 0.15266 0.31697 0.02026 8 3PY 0.65037 0.02324 -0.58145 0.31071 -0.33125 9 3PZ 1.45863 -0.65487 -0.10441 0.98684 -0.13476 10 4XX 0.02342 -0.03785 0.02419 0.01865 -0.00872 11 4YY -0.02318 0.00518 -0.06655 -0.02647 0.01664 12 4ZZ 0.02707 0.05427 0.03687 -0.00008 -0.00785 13 4XY 0.02864 -0.01254 0.03633 0.01207 0.01124 14 4XZ 0.02591 -0.01193 -0.00301 0.00972 0.01886 15 4YZ 0.00491 -0.00139 0.02490 -0.01342 0.01350 16 2 H 1S -0.12856 -0.00659 -0.09350 -0.03812 0.09084 17 2S 0.41168 0.07215 0.03993 0.16165 -0.21977 18 3 C 1S -0.01252 0.00740 -0.02295 0.00876 -0.01516 19 2S 0.12982 -0.05223 0.05673 -0.18438 0.32559 20 2PX -0.04676 -0.08955 -0.20735 0.12039 -0.21648 21 2PY 0.15760 -0.05243 -0.41077 -0.00816 -0.21231 22 2PZ 0.15126 -0.08434 -0.50893 0.14644 -0.32040 23 3S -0.51807 -0.45055 1.39771 0.44435 -0.68877 24 3PX 0.14541 0.06157 1.00474 -0.16073 0.50482 25 3PY -0.33185 0.38324 1.91112 -0.43660 0.43513 26 3PZ -0.87723 0.24563 1.78192 -0.54987 0.66265 27 4XX 0.01216 0.01698 -0.00077 -0.01959 0.00474 28 4YY -0.01564 -0.02271 0.07392 -0.00890 0.02088 29 4ZZ -0.00371 -0.00332 -0.02506 -0.00452 0.02018 30 4XY -0.00724 -0.01083 -0.02289 0.00056 -0.06042 31 4XZ -0.01642 0.01262 -0.02856 -0.00404 -0.02720 32 4YZ -0.01604 0.04143 -0.02385 0.00123 -0.04458 33 4 H 1S -0.02202 0.18701 -0.33077 0.12624 -0.31013 34 2S -0.20960 0.14505 1.68775 -0.54867 1.02989 35 5 C 1S 0.01252 0.00740 0.02296 -0.00876 -0.01516 36 2S -0.12980 -0.05222 -0.05672 0.18439 0.32556 37 2PX 0.04676 -0.08955 0.20735 -0.12034 -0.21648 38 2PY 0.15762 0.05243 -0.41079 -0.00818 0.21231 39 2PZ -0.15126 -0.08432 0.50893 -0.14639 -0.32041 40 3S 0.51806 -0.45060 -1.39770 -0.44431 -0.68848 41 3PX -0.14536 0.06154 -1.00471 0.16061 0.50502 42 3PY -0.33192 -0.38326 1.91122 -0.43653 -0.43516 43 3PZ 0.87727 0.24558 -1.78188 0.54971 0.66287 44 4XX -0.01216 0.01699 0.00077 0.01959 0.00475 45 4YY 0.01564 -0.02271 -0.07392 0.00890 0.02087 46 4ZZ 0.00371 -0.00332 0.02506 0.00452 0.02019 47 4XY -0.00724 0.01082 -0.02289 0.00056 0.06041 48 4XZ 0.01642 0.01262 0.02856 0.00405 -0.02719 49 4YZ -0.01604 -0.04143 -0.02386 0.00122 0.04458 50 6 H 1S 0.02202 0.18700 0.33077 -0.12621 -0.31012 51 2S 0.20966 0.14503 -1.68777 0.54851 1.02996 52 7 C 1S -0.00195 0.00721 0.00749 -0.00082 0.00290 53 2S 0.10212 0.10687 -0.08926 0.16330 0.10373 54 2PX -0.12943 -0.06522 0.00991 -0.08905 0.07341 55 2PY -0.17562 0.05038 -0.00832 -0.09109 -0.05790 56 2PZ 0.30209 0.03921 -0.01426 0.21701 -0.02469 57 3S -1.31981 -0.35582 0.73831 -0.80167 -0.42168 58 3PX 0.67143 -0.13344 -0.15269 -0.31696 0.02039 59 3PY 0.65054 -0.02318 -0.58144 0.31060 0.33188 60 3PZ -1.45863 -0.65493 0.10443 -0.98676 -0.13470 61 4XX -0.02342 -0.03785 -0.02419 -0.01865 -0.00874 62 4YY 0.02318 0.00518 0.06655 0.02647 0.01668 63 4ZZ -0.02707 0.05427 -0.03687 0.00008 -0.00787 64 4XY 0.02864 0.01254 0.03634 0.01208 -0.01124 65 4XZ -0.02591 -0.01193 0.00301 -0.00972 0.01885 66 4YZ 0.00491 0.00139 0.02491 -0.01342 -0.01352 67 8 H 1S 0.12857 -0.00659 0.09350 0.03810 0.09100 68 2S -0.41177 0.07212 -0.03995 -0.16156 -0.22036 69 9 C 1S -0.00423 -0.02741 0.01106 0.00278 0.00150 70 2S 0.03666 0.15804 -0.09055 -0.01930 -0.21410 71 2PX -0.44419 0.14795 -0.10408 0.52799 0.14550 72 2PY -0.27036 -0.00844 -0.08175 -0.16918 0.08295 73 2PZ -0.19343 -0.03845 -0.05177 -0.28757 -0.07734 74 3S -0.28392 0.53464 0.55468 -0.23667 0.68764 75 3PX 1.76128 -0.16821 0.19965 -1.46086 -0.23115 76 3PY 1.12616 -0.41219 0.23455 0.90733 -0.27288 77 3PZ 1.14831 0.00310 0.22232 1.25959 0.15540 78 4XX -0.01208 -0.05668 0.00739 -0.00066 -0.03148 79 4YY 0.02301 0.07263 0.00056 0.01253 -0.01328 80 4ZZ -0.01971 0.00385 0.00273 -0.01613 0.02269 81 4XY -0.00129 0.00783 -0.00342 0.01744 0.00926 82 4XZ -0.03412 0.05675 0.02085 -0.05665 0.00038 83 4YZ -0.00515 0.03144 0.00385 -0.00880 -0.02773 84 10 H 1S -0.04188 -0.35026 -0.07793 0.18904 0.05202 85 2S 0.37856 0.12320 0.04982 -1.11142 -0.41122 86 11 H 1S -0.04813 -0.26692 0.07590 -0.13733 -0.10357 87 2S -0.75543 -0.00861 -0.30066 0.95978 0.01298 88 12 C 1S 0.00423 -0.02741 -0.01106 -0.00278 0.00150 89 2S -0.03665 0.15804 0.09056 0.01931 -0.21415 90 2PX 0.44416 0.14787 0.10408 -0.52804 0.14541 91 2PY -0.27037 0.00843 -0.08175 -0.16918 -0.08297 92 2PZ 0.19343 -0.03842 0.05177 0.28757 -0.07739 93 3S 0.28394 0.53466 -0.55474 0.23651 0.68786 94 3PX -1.76121 -0.16797 -0.19964 1.46095 -0.23097 95 3PY 1.12620 0.41223 0.23453 0.90731 0.27289 96 3PZ -1.14832 0.00298 -0.22234 -1.25954 0.15554 97 4XX 0.01208 -0.05669 -0.00739 0.00067 -0.03148 98 4YY -0.02301 0.07263 -0.00056 -0.01253 -0.01329 99 4ZZ 0.01971 0.00386 -0.00273 0.01612 0.02270 100 4XY -0.00129 -0.00783 -0.00342 0.01744 -0.00925 101 4XZ 0.03413 0.05676 -0.02085 0.05665 0.00039 102 4YZ -0.00516 -0.03144 0.00385 -0.00880 0.02775 103 13 H 1S 0.04186 -0.35029 0.07794 -0.18902 0.05199 104 2S -0.37851 0.12335 -0.04981 1.11147 -0.41121 105 14 H 1S 0.04813 -0.26691 -0.07589 0.13739 -0.10353 106 2S 0.75540 -0.00873 0.30067 -0.95980 0.01275 107 15 C 1S 0.00000 -0.03053 0.00000 0.00000 0.01444 108 2S 0.00000 -0.59666 0.00002 0.00005 -0.09403 109 2PX 0.00003 0.17588 0.00000 -0.00001 -0.01052 110 2PY 0.01730 0.00000 0.01738 -0.05015 0.00000 111 2PZ -0.00002 -0.18805 0.00000 0.00002 -0.08000 112 3S 0.00000 1.37844 -0.00005 -0.00011 0.35978 113 3PX -0.00005 -0.66860 -0.00001 0.00004 -0.14497 114 3PY -0.02805 0.00000 -0.07680 0.08517 0.00002 115 3PZ 0.00006 0.38162 0.00001 -0.00003 -0.06878 116 4XX -0.00001 0.03379 0.00000 0.00000 0.00603 117 4YY 0.00000 -0.03079 0.00000 0.00000 0.02716 118 4ZZ 0.00001 -0.08749 0.00000 0.00000 -0.00004 119 4XY -0.00196 0.00000 -0.00516 0.02281 0.00000 120 4XZ 0.00000 0.00031 0.00000 0.00000 -0.04128 121 4YZ 0.01320 0.00000 0.00649 0.01569 0.00000 122 16 C 1S -0.00555 0.01308 -0.00608 -0.01816 -0.01109 123 2S 0.01063 -0.08960 0.07031 0.16393 0.50820 124 2PX 0.16013 0.04938 -0.02518 -0.00041 -0.05724 125 2PY 0.21303 0.00287 -0.25648 -0.16935 -0.25809 126 2PZ -0.22339 0.06552 -0.29133 -0.28254 -0.26167 127 3S -0.49680 0.22585 0.51305 0.15100 -1.11358 128 3PX -0.46939 -0.01216 0.26966 0.03936 0.20848 129 3PY -0.67222 -0.03783 1.14423 0.74950 0.63860 130 3PZ 0.70184 -0.10915 1.05125 0.96492 0.65944 131 4XX -0.00820 0.04421 0.01357 0.03292 0.03613 132 4YY -0.03563 -0.02127 0.04280 0.02819 0.02240 133 4ZZ 0.02530 0.01331 -0.01391 -0.03296 0.01201 134 4XY -0.00251 -0.00437 -0.00558 -0.00750 -0.06110 135 4XZ 0.00363 0.06525 -0.00796 -0.00124 -0.00479 136 4YZ 0.01168 0.03944 -0.01747 -0.02245 -0.06383 137 17 C 1S 0.00555 0.01308 0.00607 0.01816 -0.01109 138 2S -0.01064 -0.08963 -0.07031 -0.16392 0.50817 139 2PX -0.16015 0.04937 0.02516 0.00040 -0.05722 140 2PY 0.21302 -0.00289 -0.25649 -0.16936 0.25808 141 2PZ 0.22342 0.06557 0.29134 0.28253 -0.26169 142 3S 0.49679 0.22583 -0.51303 -0.15104 -1.11349 143 3PX 0.46942 -0.01218 -0.26963 -0.03934 0.20842 144 3PY -0.67221 0.03797 1.14428 0.74953 -0.63866 145 3PZ -0.70192 -0.10933 -1.05122 -0.96489 0.65952 146 4XX 0.00820 0.04421 -0.01357 -0.03292 0.03613 147 4YY 0.03563 -0.02127 -0.04280 -0.02818 0.02240 148 4ZZ -0.02530 0.01331 0.01391 0.03296 0.01201 149 4XY -0.00251 0.00436 -0.00558 -0.00750 0.06110 150 4XZ -0.00362 0.06525 0.00796 0.00123 -0.00478 151 4YZ 0.01168 -0.03944 -0.01747 -0.02245 0.06383 152 18 H 1S -0.00003 0.03473 0.00000 -0.00001 0.07702 153 2S 0.00006 -0.04126 0.00002 0.00001 -0.07069 154 19 H 1S 0.08099 0.10622 -0.17392 -0.29659 -0.25828 155 2S 0.10082 -0.29673 1.03342 1.01085 1.13470 156 20 H 1S -0.08097 0.10625 0.17391 0.29657 -0.25829 157 2S -0.10086 -0.29689 -1.03342 -1.01081 1.13474 158 21 H 1S 0.00001 -0.26657 0.00000 0.00000 0.15196 159 2S -0.00006 -0.39439 0.00001 0.00005 -0.15731 160 22 O 1S -0.00236 0.00789 -0.00257 -0.00554 0.01244 161 2S 0.06278 -0.25678 -0.07319 -0.04125 0.02683 162 2PX -0.06071 -0.11489 0.02353 0.03457 -0.04239 163 2PY 0.04018 -0.16465 -0.01476 0.06044 -0.12123 164 2PZ 0.06621 -0.17195 -0.01508 -0.05708 0.02558 165 3S -0.00322 0.07248 0.34682 0.21174 -0.26318 166 3PX -0.04192 0.21818 -0.09146 -0.12907 0.10918 167 3PY -0.00229 0.33361 -0.07958 -0.14767 0.35049 168 3PZ 0.01078 0.08130 0.06606 0.10996 -0.06768 169 4XX 0.02114 -0.09697 -0.02556 0.00551 0.02672 170 4YY 0.00189 -0.08518 -0.00190 -0.01517 -0.03002 171 4ZZ 0.02920 -0.06050 -0.03114 -0.02673 0.02916 172 4XY -0.00181 0.04624 0.02083 0.02518 -0.00423 173 4XZ 0.01734 -0.02519 -0.00440 -0.02154 0.01472 174 4YZ -0.00595 0.01658 0.00429 -0.00001 -0.01252 175 23 O 1S 0.00236 0.00789 0.00257 0.00554 0.01244 176 2S -0.06279 -0.25677 0.07321 0.04128 0.02684 177 2PX 0.06070 -0.11490 -0.02352 -0.03456 -0.04237 178 2PY 0.04017 0.16466 -0.01477 0.06041 0.12122 179 2PZ -0.06621 -0.17194 0.01508 0.05710 0.02557 180 3S 0.00324 0.07244 -0.34685 -0.21176 -0.26317 181 3PX 0.04193 0.21820 0.09145 0.12905 0.10916 182 3PY -0.00227 -0.33364 -0.07957 -0.14762 -0.35047 183 3PZ -0.01078 0.08128 -0.06607 -0.10997 -0.06766 184 4XX -0.02114 -0.09697 0.02557 -0.00550 0.02672 185 4YY -0.00189 -0.08518 0.00191 0.01518 -0.03002 186 4ZZ -0.02921 -0.06050 0.03114 0.02674 0.02917 187 4XY -0.00181 -0.04623 0.02083 0.02519 0.00422 188 4XZ -0.01734 -0.02519 0.00441 0.02155 0.01472 189 4YZ -0.00595 -0.01659 0.00429 0.00000 0.01252 96 97 98 99 100 V V V V V Eigenvalues -- 0.88447 0.88520 0.88709 0.89806 0.91380 1 1 C 1S 0.00207 -0.02132 0.02364 0.01638 0.00617 2 2S -0.17473 0.37287 -0.21110 -0.23057 -0.11131 3 2PX -0.05528 0.12781 0.11733 -0.05374 0.02001 4 2PY 0.20933 -0.61707 0.14317 0.23577 0.26382 5 2PZ -0.04377 0.12045 0.21352 0.06378 -0.02661 6 3S -0.05880 0.01157 1.22524 0.36616 0.31477 7 3PX 0.18045 -0.88313 -0.94718 -0.22989 0.03551 8 3PY -0.71363 1.86175 -0.13938 -0.79169 -0.44728 9 3PZ 0.06045 -0.93998 -1.13368 -0.41112 0.33466 10 4XX -0.02050 0.06441 -0.01706 -0.05978 -0.03339 11 4YY 0.00916 -0.07693 0.04765 0.01929 0.04419 12 4ZZ -0.02917 0.06035 -0.02170 0.01069 -0.02952 13 4XY 0.00817 -0.03110 -0.04834 -0.01335 0.00573 14 4XZ -0.02298 0.02798 0.00809 -0.03226 -0.00734 15 4YZ 0.03287 -0.05420 -0.02197 -0.00044 0.01766 16 2 H 1S 0.13067 -0.39952 0.18895 0.22999 0.27825 17 2S -0.57987 1.60389 -0.50470 -0.77166 -0.58697 18 3 C 1S -0.01241 -0.00116 0.00703 -0.00841 -0.00499 19 2S -0.10152 0.10216 -0.11926 0.22269 -0.10201 20 2PX -0.22020 0.18646 0.33408 -0.08979 0.06203 21 2PY -0.10595 -0.10971 -0.16566 -0.19112 0.06325 22 2PZ -0.25711 0.20288 0.27825 -0.25498 -0.00516 23 3S 0.11111 -1.06292 0.04693 -0.90088 0.45969 24 3PX 0.58551 -1.30221 -1.38175 0.31204 0.05062 25 3PY 0.27784 0.62275 1.08329 0.73576 -0.14544 26 3PZ 0.63835 -1.23381 -1.13539 0.67359 0.09029 27 4XX -0.00075 -0.02080 -0.02330 0.04775 0.01920 28 4YY -0.02581 0.02136 0.01019 -0.00915 -0.01483 29 4ZZ 0.02259 -0.02082 -0.01903 -0.00776 -0.02187 30 4XY -0.03461 -0.00795 0.03024 -0.00223 0.02178 31 4XZ -0.02775 -0.03839 -0.00098 -0.00091 0.00507 32 4YZ -0.03845 -0.00379 0.02880 0.00357 -0.01491 33 4 H 1S -0.16983 0.02096 0.15783 0.01067 0.02068 34 2S 0.72290 -0.47307 -0.73502 0.79005 -0.07339 35 5 C 1S -0.01241 0.00113 -0.00704 -0.00841 -0.00499 36 2S -0.10126 -0.10258 0.11924 0.22270 -0.10203 37 2PX -0.21956 -0.18699 -0.33419 -0.08983 0.06204 38 2PY 0.10631 -0.10950 -0.16559 0.19110 -0.06326 39 2PZ -0.25644 -0.20347 -0.27838 -0.25502 -0.00516 40 3S 0.10808 1.06353 -0.04694 -0.90080 0.45973 41 3PX 0.58137 1.30365 1.38204 0.31228 0.05060 42 3PY -0.27994 0.62213 1.08310 -0.73563 0.14553 43 3PZ 0.63448 1.23529 1.13570 0.67376 0.09028 44 4XX -0.00082 0.02079 0.02330 0.04775 0.01920 45 4YY -0.02575 -0.02144 -0.01020 -0.00915 -0.01483 46 4ZZ 0.02252 0.02087 0.01904 -0.00776 -0.02187 47 4XY 0.03462 -0.00788 0.03026 0.00223 -0.02178 48 4XZ -0.02786 0.03832 0.00097 -0.00091 0.00507 49 4YZ 0.03845 -0.00370 0.02882 -0.00357 0.01491 50 6 H 1S -0.16972 -0.02134 -0.15793 0.01065 0.02069 51 2S 0.72132 0.47465 0.73537 0.79016 -0.07345 52 7 C 1S 0.00202 0.02132 -0.02364 0.01638 0.00617 53 2S -0.17376 -0.37336 0.21106 -0.23060 -0.11131 54 2PX -0.05489 -0.12798 -0.11732 -0.05375 0.01998 55 2PY -0.20767 -0.61759 0.14309 -0.23583 -0.26381 56 2PZ -0.04336 -0.12059 -0.21354 0.06373 -0.02662 57 3S -0.05831 -0.01163 -1.22530 0.36612 0.31476 58 3PX 0.17765 0.88364 0.94724 -0.22974 0.03559 59 3PY 0.70846 1.86342 -0.13918 0.79189 0.44724 60 3PZ 0.05746 0.94029 1.13368 -0.41084 0.33473 61 4XX -0.02033 -0.06446 0.01704 -0.05979 -0.03339 62 4YY 0.00897 0.07695 -0.04764 0.01930 0.04419 63 4ZZ -0.02901 -0.06043 0.02168 0.01068 -0.02952 64 4XY -0.00806 -0.03112 -0.04834 0.01334 -0.00572 65 4XZ -0.02290 -0.02805 -0.00810 -0.03226 -0.00735 66 4YZ -0.03271 -0.05428 -0.02198 0.00044 -0.01766 67 8 H 1S 0.12963 0.39983 -0.18888 0.23001 0.27825 68 2S -0.57558 -1.60531 0.50447 -0.77179 -0.58695 69 9 C 1S -0.00450 -0.00102 0.00613 -0.00793 0.01274 70 2S -0.25335 0.10977 -0.07405 0.11569 0.04846 71 2PX 0.16341 0.01667 -0.31224 -0.45773 -0.26047 72 2PY 0.05483 0.04241 0.17684 0.02624 0.05501 73 2PZ -0.21179 0.24029 0.06587 0.10696 -0.08722 74 3S 0.66087 -0.52146 0.30578 0.28229 -0.28247 75 3PX -0.12424 -0.05375 0.62353 0.85883 0.44182 76 3PY -0.09399 -0.61048 -0.91053 -0.16139 0.14780 77 3PZ 0.23991 -0.89557 -0.51133 -0.35083 0.06818 78 4XX -0.02811 0.01880 0.02317 0.00417 0.02410 79 4YY -0.04042 0.00664 -0.01682 0.03685 -0.02466 80 4ZZ 0.01960 -0.02093 -0.00669 -0.01722 0.01583 81 4XY 0.06972 0.01149 -0.01403 -0.01026 -0.01551 82 4XZ -0.01372 -0.01001 0.03609 0.07604 0.01092 83 4YZ -0.05891 0.04873 -0.00014 -0.00329 -0.02981 84 10 H 1S 0.31822 -0.01553 -0.13422 -0.28637 0.11482 85 2S -0.63583 0.36916 0.35526 0.78171 0.15396 86 11 H 1S -0.21865 0.04636 0.24265 0.08328 0.20411 87 2S 0.08767 0.21111 -0.70998 -0.71801 -0.26935 88 12 C 1S -0.00450 0.00101 -0.00613 -0.00793 0.01274 89 2S -0.25307 -0.11042 0.07394 0.11570 0.04845 90 2PX 0.16328 -0.01621 0.31237 -0.45772 -0.26050 91 2PY -0.05501 0.04228 0.17680 -0.02621 -0.05501 92 2PZ -0.21108 -0.24087 -0.06595 0.10692 -0.08722 93 3S 0.65950 0.52307 -0.30546 0.28229 -0.28248 94 3PX -0.12396 0.05339 -0.62370 0.85889 0.44189 95 3PY 0.09604 -0.61031 -0.91046 0.16122 -0.14784 96 3PZ 0.23723 0.89621 0.51142 -0.35062 0.06817 97 4XX -0.02805 -0.01887 -0.02319 0.00417 0.02410 98 4YY -0.04041 -0.00676 0.01681 0.03685 -0.02466 99 4ZZ 0.01954 0.02098 0.00670 -0.01721 0.01582 100 4XY -0.06975 0.01130 -0.01406 0.01026 0.01551 101 4XZ -0.01373 0.00996 -0.03610 0.07603 0.01092 102 4YZ 0.05877 0.04889 -0.00011 0.00330 0.02980 103 13 H 1S 0.31809 0.01644 0.13437 -0.28636 0.11480 104 2S -0.63454 -0.37089 -0.35562 0.78166 0.15403 105 14 H 1S -0.21842 -0.04695 -0.24276 0.08324 0.20415 106 2S 0.08785 -0.21082 0.71007 -0.71800 -0.26942 107 15 C 1S -0.00137 0.00000 0.00000 -0.01679 0.00572 108 2S 0.11467 0.00016 0.00000 0.34565 -0.95909 109 2PX 0.15841 0.00022 0.00003 -0.02432 -0.45053 110 2PY -0.00003 0.01375 0.05810 0.00000 0.00000 111 2PZ -0.09600 -0.00013 -0.00004 0.31346 -0.24955 112 3S -0.37793 -0.00053 0.00001 -0.90493 2.60466 113 3PX -0.29777 -0.00040 -0.00010 0.21025 0.67177 114 3PY 0.00003 0.00295 -0.18101 0.00000 0.00001 115 3PZ 0.50339 0.00072 0.00012 -0.63957 0.15424 116 4XX 0.00018 0.00000 0.00000 0.01000 -0.01693 117 4YY -0.02877 -0.00004 0.00000 0.05328 -0.06139 118 4ZZ 0.02663 0.00004 0.00001 -0.06104 0.01437 119 4XY 0.00000 0.00193 -0.01272 0.00000 0.00000 120 4XZ 0.04081 0.00006 0.00000 0.00318 -0.00558 121 4YZ 0.00002 -0.01884 0.01643 0.00000 0.00000 122 16 C 1S 0.00220 0.00501 -0.00753 0.00499 0.00012 123 2S -0.38744 0.08253 0.24996 -0.04371 -0.02173 124 2PX -0.07938 -0.03183 0.00789 0.06977 0.09947 125 2PY 0.17693 -0.06623 -0.09091 0.09678 0.06939 126 2PZ 0.28441 0.02259 -0.37531 -0.00110 0.07444 127 3S 0.95432 -0.40442 -0.66089 0.07921 0.08829 128 3PX 0.03018 0.06379 -0.00006 -0.17630 -0.23659 129 3PY -0.45553 -0.18201 0.25463 -0.22499 -0.08168 130 3PZ -0.50704 -0.12203 1.04815 -0.11538 -0.15184 131 4XX -0.02984 0.00458 0.03129 -0.00714 -0.01454 132 4YY -0.01581 0.00211 0.01785 0.01744 0.00752 133 4ZZ -0.01389 -0.00101 -0.01030 -0.02252 0.00086 134 4XY 0.04688 -0.00602 -0.00207 0.00814 0.01544 135 4XZ 0.02049 -0.00501 -0.01020 -0.02424 0.03477 136 4YZ 0.06444 0.00497 -0.02105 -0.02712 -0.00869 137 17 C 1S 0.00221 -0.00501 0.00753 0.00499 0.00012 138 2S -0.38712 -0.08375 -0.25003 -0.04372 -0.02174 139 2PX -0.07947 0.03162 -0.00795 0.06977 0.09946 140 2PY -0.17674 -0.06680 -0.09095 -0.09681 -0.06938 141 2PZ 0.28433 -0.02172 0.37540 -0.00109 0.07444 142 3S 0.95292 0.40742 0.66108 0.07926 0.08830 143 3PX 0.03037 -0.06376 0.00014 -0.17631 -0.23660 144 3PY 0.45600 -0.18055 0.25473 0.22502 0.08168 145 3PZ -0.50701 0.12041 -1.04825 -0.11538 -0.15190 146 4XX -0.02982 -0.00468 -0.03129 -0.00714 -0.01455 147 4YY -0.01580 -0.00216 -0.01785 0.01743 0.00752 148 4ZZ -0.01390 0.00097 0.01030 -0.02251 0.00086 149 4XY -0.04687 -0.00617 -0.00207 -0.00814 -0.01544 150 4XZ 0.02047 0.00507 0.01021 -0.02424 0.03476 151 4YZ -0.06444 0.00477 -0.02107 0.02712 0.00869 152 18 H 1S -0.05151 -0.00007 0.00001 -0.12146 0.34716 153 2S 0.41042 0.00057 0.00007 0.03976 -1.26463 154 19 H 1S 0.24904 -0.00888 -0.27856 -0.07535 -0.00263 155 2S -0.92242 -0.04280 0.95948 -0.06891 -0.14633 156 20 H 1S 0.24893 0.00966 0.27862 -0.07533 -0.00264 157 2S -0.92222 0.03987 -0.95967 -0.06895 -0.14634 158 21 H 1S -0.00459 -0.00002 0.00003 -0.39986 0.39482 159 2S -0.32287 -0.00046 -0.00012 1.09946 -0.93440 160 22 O 1S -0.00685 0.00093 -0.00074 -0.00210 -0.00072 161 2S 0.00179 -0.05296 -0.03014 0.01583 -0.14995 162 2PX 0.03433 -0.01014 0.04322 0.03441 0.00859 163 2PY 0.08616 -0.05048 0.00111 0.07909 -0.21781 164 2PZ -0.00087 0.01219 -0.07997 0.00874 0.02313 165 3S 0.09099 0.03943 0.20298 0.09987 0.12772 166 3PX 0.00536 0.02911 -0.07824 -0.10961 -0.15100 167 3PY -0.23209 0.08911 -0.01161 -0.19094 0.31813 168 3PZ 0.02338 -0.02365 0.18140 0.02404 -0.09424 169 4XX -0.01638 -0.00980 -0.01003 0.01988 -0.04631 170 4YY 0.04407 -0.01010 0.00337 -0.01378 -0.03800 171 4ZZ -0.02346 -0.02942 -0.01240 0.02536 -0.07803 172 4XY 0.00025 -0.00686 0.01241 -0.01134 0.02722 173 4XZ -0.01929 -0.00933 -0.00562 0.01337 -0.01233 174 4YZ 0.01466 0.00509 0.00058 -0.02860 0.02707 175 23 O 1S -0.00685 -0.00095 0.00074 -0.00210 -0.00072 176 2S 0.00164 0.05295 0.03014 0.01584 -0.14996 177 2PX 0.03432 0.01025 -0.04321 0.03440 0.00859 178 2PY -0.08602 -0.05073 0.00112 -0.07910 0.21782 179 2PZ -0.00086 -0.01221 0.07996 0.00876 0.02313 180 3S 0.09116 -0.03910 -0.20300 0.09984 0.12772 181 3PX 0.00542 -0.02912 0.07826 -0.10960 -0.15098 182 3PY 0.23184 0.08983 -0.01161 0.19096 -0.31815 183 3PZ 0.02338 0.02374 -0.18140 0.02403 -0.09424 184 4XX -0.01642 0.00974 0.01003 0.01989 -0.04631 185 4YY 0.04405 0.01023 -0.00336 -0.01378 -0.03799 186 4ZZ -0.02354 0.02934 0.01239 0.02537 -0.07804 187 4XY -0.00023 -0.00687 0.01241 0.01134 -0.02722 188 4XZ -0.01932 0.00927 0.00561 0.01338 -0.01233 189 4YZ -0.01467 0.00504 0.00058 0.02860 -0.02707 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94028 0.95122 1.00797 1.01440 1 1 C 1S 0.00660 -0.00250 0.01119 0.00773 0.00069 2 2S 0.19115 -0.44868 -0.08965 0.43187 -0.03825 3 2PX 0.19671 0.04233 0.30455 0.04074 -0.10257 4 2PY -0.04366 0.38615 0.15204 -0.08633 0.05204 5 2PZ 0.10031 0.01493 0.18357 -0.09755 -0.04440 6 3S -0.44972 1.17927 1.33086 -2.11489 -0.29553 7 3PX -0.90161 -0.28359 -1.62830 0.82951 0.60290 8 3PY 0.21391 -0.81410 -0.13511 0.22283 0.44526 9 3PZ -0.83545 -0.55092 -1.55444 0.49952 0.59855 10 4XX 0.03643 -0.04932 -0.00153 -0.04642 -0.04199 11 4YY 0.04184 0.00233 0.02674 0.08331 0.09380 12 4ZZ -0.04566 -0.02307 -0.00242 -0.00310 -0.06592 13 4XY 0.00982 -0.02778 0.01680 -0.05920 0.03021 14 4XZ 0.02714 -0.01994 0.07267 -0.00968 0.02949 15 4YZ -0.01716 -0.00140 -0.01103 0.04280 0.04316 16 2 H 1S 0.02890 0.19356 0.14247 0.13039 0.39313 17 2S 0.14784 -0.96786 -0.38206 0.15631 -0.14109 18 3 C 1S -0.00092 0.00627 -0.00337 0.01326 -0.01534 19 2S 0.33664 -0.25503 0.25449 0.46606 -0.49552 20 2PX -0.00599 0.10590 0.04302 -0.12725 -0.10285 21 2PY -0.06948 0.08035 -0.27282 0.27563 0.19482 22 2PZ -0.04212 0.18662 0.06741 -0.14919 0.07566 23 3S -1.22585 0.00902 -0.85468 -1.85130 1.67552 24 3PX -0.12597 -0.23176 -0.91463 1.13466 0.08741 25 3PY 0.46914 0.26441 2.07355 -2.34310 -0.98794 26 3PZ -0.05994 -0.30518 -0.84464 1.23814 -0.24904 27 4XX 0.00622 -0.01926 -0.00076 0.02104 -0.01978 28 4YY 0.01670 -0.04811 0.03744 -0.02621 -0.02332 29 4ZZ 0.02344 0.03338 -0.01378 0.06152 -0.02421 30 4XY 0.01124 0.02314 0.01311 0.00547 0.00855 31 4XZ -0.00245 0.03610 -0.03192 0.06789 -0.02814 32 4YZ 0.00737 0.08452 0.01241 0.03105 -0.05321 33 4 H 1S -0.03558 0.32971 -0.13427 0.22536 -0.25404 34 2S 0.32560 -0.57744 0.29809 0.22926 -0.46500 35 5 C 1S 0.00092 0.00627 0.00337 -0.01327 -0.01534 36 2S -0.33668 -0.25497 -0.25451 -0.46615 -0.49555 37 2PX 0.00600 0.10590 -0.04303 0.12725 -0.10285 38 2PY -0.06949 -0.08033 -0.27281 0.27560 -0.19480 39 2PZ 0.04215 0.18662 -0.06741 0.14919 0.07567 40 3S 1.22587 0.00881 0.85463 1.85167 1.67562 41 3PX 0.12594 -0.23186 0.91466 -1.13464 0.08733 42 3PY 0.46911 -0.26463 2.07346 -2.34290 0.98783 43 3PZ 0.05988 -0.30529 0.84468 -1.23814 -0.24908 44 4XX -0.00623 -0.01926 0.00076 -0.02104 -0.01978 45 4YY -0.01671 -0.04810 -0.03745 0.02620 -0.02332 46 4ZZ -0.02343 0.03337 0.01378 -0.06153 -0.02421 47 4XY 0.01124 -0.02314 0.01310 0.00548 -0.00855 48 4XZ 0.00245 0.03610 0.03192 -0.06789 -0.02815 49 4YZ 0.00736 -0.08453 0.01240 0.03106 0.05321 50 6 H 1S 0.03563 0.32969 0.13429 -0.22537 -0.25406 51 2S -0.32571 -0.57737 -0.29813 -0.22929 -0.46503 52 7 C 1S -0.00660 -0.00250 -0.01119 -0.00773 0.00070 53 2S -0.19121 -0.44868 0.08963 -0.43179 -0.03824 54 2PX -0.19670 0.04238 -0.30455 -0.04077 -0.10259 55 2PY -0.04370 -0.38617 0.15205 -0.08632 -0.05202 56 2PZ -0.10031 0.01493 -0.18356 0.09753 -0.04438 57 3S 0.44990 1.17940 -1.33079 2.11453 -0.29554 58 3PX 0.90157 -0.28385 1.62828 -0.82939 0.60288 59 3PY 0.21393 0.81413 -0.13521 0.22287 -0.44533 60 3PZ 0.83540 -0.55104 1.55436 -0.49936 0.59839 61 4XX -0.03643 -0.04931 0.00152 0.04642 -0.04199 62 4YY -0.04183 0.00233 -0.02674 -0.08330 0.09380 63 4ZZ 0.04565 -0.02307 0.00242 0.00311 -0.06592 64 4XY 0.00982 0.02778 0.01680 -0.05921 -0.03021 65 4XZ -0.02714 -0.01993 -0.07267 0.00967 0.02949 66 4YZ -0.01716 0.00141 -0.01103 0.04280 -0.04315 67 8 H 1S -0.02888 0.19357 -0.14246 -0.13039 0.39314 68 2S -0.14793 -0.96788 0.38204 -0.15625 -0.14107 69 9 C 1S 0.02677 -0.02132 -0.01204 0.00231 0.00032 70 2S -0.57984 -0.17139 0.32953 0.23139 0.47037 71 2PX 0.06463 0.12021 0.18184 0.07882 0.05693 72 2PY 0.27480 0.03057 0.00184 -0.01390 -0.05724 73 2PZ -0.22351 -0.13494 0.13697 0.09018 0.24276 74 3S 1.42050 0.73712 -0.29094 -0.85121 -1.37522 75 3PX -0.13392 -0.30710 -0.09392 -0.66663 -0.11437 76 3PY -1.15238 -0.16428 -0.81309 -0.22242 0.14870 77 3PZ -0.07737 0.05172 -0.71942 -0.15313 -0.08681 78 4XX 0.00368 -0.03286 -0.06414 0.02517 -0.07382 79 4YY -0.04817 0.00041 0.01243 0.00868 0.07116 80 4ZZ -0.00404 -0.01709 0.09212 -0.00715 0.07063 81 4XY 0.00638 0.05405 0.03010 -0.02348 -0.03569 82 4XZ -0.06433 -0.00475 -0.02234 0.07108 0.00547 83 4YZ -0.01593 0.01516 0.00659 0.00039 -0.03399 84 10 H 1S 0.50831 -0.05351 -0.05886 -0.23794 -0.19747 85 2S -1.05457 -0.35806 0.10111 0.24315 0.44620 86 11 H 1S 0.22157 -0.23263 -0.43748 0.12799 -0.24024 87 2S -0.50223 0.26423 0.59435 0.23953 0.59872 88 12 C 1S -0.02677 -0.02132 0.01204 -0.00231 0.00032 89 2S 0.57982 -0.17147 -0.32951 -0.23146 0.47040 90 2PX -0.06462 0.12021 -0.18184 -0.07884 0.05692 91 2PY 0.27479 -0.03060 0.00185 -0.01393 0.05724 92 2PZ 0.22350 -0.13497 -0.13696 -0.09021 0.24278 93 3S -1.42041 0.73736 0.29098 0.85136 -1.37529 94 3PX 0.13387 -0.30701 0.09389 0.66668 -0.11443 95 3PY -1.15236 0.16444 -0.81308 -0.22240 -0.14863 96 3PZ 0.07734 0.05171 0.71937 0.15318 -0.08692 97 4XX -0.00368 -0.03287 0.06414 -0.02516 -0.07381 98 4YY 0.04817 0.00041 -0.01242 -0.00869 0.07116 99 4ZZ 0.00404 -0.01709 -0.09212 0.00714 0.07063 100 4XY 0.00638 -0.05405 0.03010 -0.02347 0.03570 101 4XZ 0.06432 -0.00477 0.02235 -0.07107 0.00548 102 4YZ -0.01593 -0.01515 0.00659 0.00039 0.03398 103 13 H 1S -0.50832 -0.05342 0.05883 0.23796 -0.19750 104 2S 1.05452 -0.35821 -0.10108 -0.24319 0.44627 105 14 H 1S -0.22161 -0.23264 0.43744 -0.12793 -0.24022 106 2S 0.50226 0.26414 -0.59434 -0.23972 0.59875 107 15 C 1S 0.00000 0.00221 0.00000 0.00000 0.03071 108 2S 0.00002 -0.06418 0.00004 0.00002 0.54796 109 2PX 0.00002 0.13765 0.00002 0.00002 0.00741 110 2PY -0.01818 0.00000 -0.11485 -0.01185 0.00002 111 2PZ 0.00000 0.00195 0.00001 0.00001 -0.00333 112 3S -0.00006 -0.06927 -0.00011 -0.00005 -1.12061 113 3PX -0.00001 0.08485 0.00000 -0.00005 0.03008 114 3PY 0.12162 -0.00003 0.44942 -0.05069 -0.00007 115 3PZ 0.00002 0.31928 0.00000 -0.00002 -0.07542 116 4XX 0.00000 -0.01126 0.00000 0.00001 -0.00421 117 4YY 0.00000 -0.05705 0.00000 0.00000 0.05968 118 4ZZ 0.00000 0.04842 0.00000 -0.00001 0.04958 119 4XY -0.04029 0.00000 0.04886 -0.01242 0.00000 120 4XZ 0.00000 0.02229 0.00000 0.00001 -0.00585 121 4YZ 0.02862 0.00000 -0.01800 0.01847 -0.00001 122 16 C 1S -0.00269 -0.01083 -0.00758 0.01582 0.00960 123 2S 0.10717 0.13804 0.13114 0.81390 0.22053 124 2PX 0.06100 -0.16641 0.02464 -0.07808 -0.09904 125 2PY 0.19483 -0.15639 0.10341 0.03333 0.02809 126 2PZ -0.04509 -0.26769 -0.05773 -0.15584 -0.01283 127 3S -0.20997 -0.52831 -0.06235 -2.52056 -0.45020 128 3PX 0.08621 0.23838 0.23140 0.17182 0.29562 129 3PY -0.48062 0.37848 -0.16722 -0.52517 0.13379 130 3PZ 0.86793 0.52096 0.70191 0.65633 0.06601 131 4XX -0.00889 0.02848 0.01588 0.03440 -0.02802 132 4YY -0.01794 0.00037 -0.00433 0.01008 0.03103 133 4ZZ 0.04428 -0.01222 0.01946 0.05310 0.02128 134 4XY 0.00088 0.05106 0.00012 0.00127 -0.05781 135 4XZ 0.05258 -0.01034 0.03498 0.04569 -0.03844 136 4YZ 0.02781 -0.04389 0.02377 0.00559 0.03691 137 17 C 1S 0.00269 -0.01083 0.00758 -0.01582 0.00961 138 2S -0.10713 0.13805 -0.13113 -0.81392 0.22050 139 2PX -0.06104 -0.16638 -0.02465 0.07806 -0.09900 140 2PY 0.19487 0.15636 0.10342 0.03333 -0.02806 141 2PZ 0.04505 -0.26770 0.05771 0.15584 -0.01284 142 3S 0.20983 -0.52835 0.06228 2.52056 -0.44995 143 3PX -0.08614 0.23835 -0.23137 -0.17182 0.29558 144 3PY -0.48066 -0.37838 -0.16722 -0.52514 -0.13402 145 3PZ -0.86787 0.52108 -0.70189 -0.65638 0.06611 146 4XX 0.00889 0.02847 -0.01588 -0.03440 -0.02802 147 4YY 0.01794 0.00036 0.00433 -0.01008 0.03103 148 4ZZ -0.04428 -0.01221 -0.01946 -0.05311 0.02128 149 4XY 0.00087 -0.05106 0.00012 0.00126 0.05781 150 4XZ -0.05258 -0.01033 -0.03499 -0.04569 -0.03842 151 4YZ 0.02783 0.04389 0.02378 0.00558 -0.03691 152 18 H 1S -0.00002 -0.15610 -0.00002 0.00000 0.00085 153 2S 0.00004 0.13944 0.00005 0.00003 0.32786 154 19 H 1S 0.27731 -0.18581 0.14089 0.02200 0.14021 155 2S 0.01085 0.70137 0.15909 0.71350 0.12624 156 20 H 1S -0.27735 -0.18579 -0.14091 -0.02201 0.14024 157 2S -0.01071 0.70137 -0.15903 -0.71352 0.12627 158 21 H 1S 0.00000 0.09050 -0.00001 -0.00004 0.13746 159 2S -0.00001 -0.37425 0.00004 0.00008 0.11260 160 22 O 1S -0.00954 -0.00331 -0.00861 -0.00800 -0.00260 161 2S -0.01621 0.02249 0.14154 -0.09460 0.01526 162 2PX 0.13677 0.00534 -0.10088 -0.01816 0.06729 163 2PY 0.01929 0.14675 0.11240 0.05907 -0.12837 164 2PZ -0.04498 0.05080 0.21543 0.06374 -0.01943 165 3S 0.33827 -0.02733 -0.04996 0.15628 0.13164 166 3PX -0.38648 0.03421 -0.11476 0.00530 -0.10951 167 3PY -0.05707 -0.16086 -0.18458 -0.08457 0.12264 168 3PZ -0.00659 -0.08083 -0.32911 -0.00441 0.04927 169 4XX -0.01964 0.00599 0.07373 -0.04058 0.00227 170 4YY -0.03569 0.02168 0.00349 -0.06419 -0.00339 171 4ZZ 0.03842 0.00236 0.02751 0.00579 0.00191 172 4XY -0.01737 -0.00596 -0.00552 -0.01222 -0.04023 173 4XZ 0.00831 -0.02935 0.01716 -0.04139 0.00380 174 4YZ -0.00036 0.02006 -0.00113 -0.02118 -0.01879 175 23 O 1S 0.00954 -0.00331 0.00861 0.00800 -0.00260 176 2S 0.01622 0.02250 -0.14154 0.09458 0.01534 177 2PX -0.13676 0.00535 0.10091 0.01817 0.06735 178 2PY 0.01927 -0.14676 0.11239 0.05908 0.12830 179 2PZ 0.04499 0.05080 -0.21543 -0.06371 -0.01944 180 3S -0.33826 -0.02732 0.04999 -0.15624 0.13147 181 3PX 0.38648 0.03416 0.11473 -0.00532 -0.10962 182 3PY -0.05704 0.16087 -0.18456 -0.08460 -0.12252 183 3PZ 0.00657 -0.08084 0.32912 0.00436 0.04927 184 4XX 0.01964 0.00599 -0.07373 0.04056 0.00229 185 4YY 0.03570 0.02168 -0.00349 0.06419 -0.00338 186 4ZZ -0.03842 0.00236 -0.02751 -0.00580 0.00195 187 4XY -0.01737 0.00597 -0.00551 -0.01222 0.04023 188 4XZ -0.00832 -0.02935 -0.01716 0.04139 0.00380 189 4YZ -0.00036 -0.02006 -0.00113 -0.02117 0.01879 106 107 108 109 110 V V V V V Eigenvalues -- 1.02297 1.02719 1.09205 1.09918 1.11414 1 1 C 1S -0.01108 0.00050 0.01213 -0.02077 -0.01136 2 2S -0.20575 0.22081 -0.11765 -0.82695 0.05797 3 2PX 0.13598 -0.11907 -0.05084 0.03404 -0.00566 4 2PY 0.06600 0.10438 0.05038 0.03911 -0.11177 5 2PZ -0.01931 -0.06894 0.05416 0.10211 -0.05834 6 3S 0.97151 -1.02806 0.34529 2.75205 -0.53476 7 3PX -0.49669 0.72617 -0.16016 -0.40544 0.17718 8 3PY -0.01543 -0.02868 -0.36807 0.61495 0.13449 9 3PZ -0.26039 0.58280 -0.38242 -0.35709 0.16106 10 4XX 0.00485 -0.01535 0.03846 0.02451 -0.01703 11 4YY -0.01069 0.04090 -0.02367 -0.02318 0.02739 12 4ZZ -0.02253 -0.01531 -0.00591 -0.09211 -0.01666 13 4XY -0.00821 -0.00162 -0.00930 0.02552 -0.03095 14 4XZ 0.01038 -0.01617 0.02325 0.01902 -0.03531 15 4YZ -0.00529 0.00423 0.00482 -0.02555 0.05509 16 2 H 1S -0.03657 0.12664 -0.05115 0.10755 -0.09537 17 2S -0.20904 0.00636 -0.25281 -0.29626 0.19305 18 3 C 1S 0.00453 -0.01302 0.00843 0.01557 -0.01728 19 2S 0.29756 -0.43534 0.29755 0.56379 -0.48819 20 2PX -0.02352 0.00621 0.01864 0.08127 -0.10468 21 2PY 0.00014 0.15776 0.03454 0.01714 -0.00861 22 2PZ 0.01074 0.05174 0.01711 0.12160 0.00910 23 3S -1.19592 1.77471 -0.82288 -1.78035 0.98493 24 3PX -0.09722 0.20001 -0.10642 -0.69601 0.27367 25 3PY 0.21652 -0.73533 0.17726 0.14368 -0.16479 26 3PZ -0.23040 0.11064 -0.03097 -0.70175 0.04999 27 4XX -0.00145 0.00943 -0.00586 -0.00603 -0.04631 28 4YY 0.00556 -0.04074 0.00470 0.09241 -0.05729 29 4ZZ 0.02817 -0.03212 0.03386 -0.01824 0.05689 30 4XY 0.00584 -0.01956 0.00346 0.08272 -0.01823 31 4XZ 0.00395 -0.00926 0.01784 0.01965 -0.02810 32 4YZ 0.01053 -0.04149 0.00541 -0.01694 0.01912 33 4 H 1S 0.03483 -0.04270 0.08702 -0.10257 -0.02495 34 2S 0.14776 -0.34914 0.09962 -0.10685 -0.16477 35 5 C 1S -0.00453 -0.01302 -0.00843 0.01557 -0.01728 36 2S -0.29760 -0.43519 -0.29734 0.56379 -0.48819 37 2PX 0.02354 0.00619 -0.01861 0.08128 -0.10467 38 2PY 0.00013 -0.15780 0.03454 -0.01715 0.00861 39 2PZ -0.01074 0.05172 -0.01708 0.12162 0.00910 40 3S 1.19609 1.77411 0.82228 -1.78021 0.98493 41 3PX 0.09727 0.20019 0.10619 -0.69616 0.27370 42 3PY 0.21650 0.73561 0.17724 -0.14385 0.16470 43 3PZ 0.23049 0.11081 0.03074 -0.70189 0.05007 44 4XX 0.00146 0.00943 0.00586 -0.00603 -0.04632 45 4YY -0.00557 -0.04075 -0.00467 0.09241 -0.05729 46 4ZZ -0.02817 -0.03210 -0.03387 -0.01824 0.05689 47 4XY 0.00585 0.01956 0.00343 -0.08272 0.01823 48 4XZ -0.00394 -0.00925 -0.01783 0.01965 -0.02810 49 4YZ 0.01053 0.04148 0.00542 0.01695 -0.01913 50 6 H 1S -0.03478 -0.04265 -0.08707 -0.10259 -0.02490 51 2S -0.14777 -0.34907 -0.09964 -0.10689 -0.16475 52 7 C 1S 0.01109 0.00049 -0.01213 -0.02077 -0.01136 53 2S 0.20584 0.22082 0.11738 -0.82698 0.05795 54 2PX -0.13599 -0.11903 0.05086 0.03400 -0.00564 55 2PY 0.06598 -0.10436 0.05037 -0.03916 0.11179 56 2PZ 0.01931 -0.06896 -0.05413 0.10212 -0.05832 57 3S -0.97180 -1.02816 -0.34433 2.75223 -0.53476 58 3PX 0.49677 0.72618 0.16005 -0.40550 0.17717 59 3PY -0.01532 0.02859 -0.36832 -0.61471 -0.13454 60 3PZ 0.26038 0.58278 0.38236 -0.35721 0.16094 61 4XX -0.00485 -0.01536 -0.03845 0.02452 -0.01703 62 4YY 0.01069 0.04091 0.02366 -0.02319 0.02739 63 4ZZ 0.02254 -0.01532 0.00588 -0.09211 -0.01666 64 4XY -0.00820 0.00163 -0.00931 -0.02553 0.03096 65 4XZ -0.01038 -0.01617 -0.02325 0.01903 -0.03533 66 4YZ -0.00528 -0.00423 0.00484 0.02555 -0.05509 67 8 H 1S 0.03653 0.12665 0.05120 0.10752 -0.09539 68 2S 0.20907 0.00635 0.25271 -0.29638 0.19309 69 9 C 1S -0.00743 0.00467 -0.01165 0.00038 -0.01168 70 2S -0.10473 -0.35696 0.24838 -0.10999 -0.32066 71 2PX 0.06241 -0.01824 0.07790 0.16460 -0.13910 72 2PY 0.06487 0.23754 -0.11577 0.08605 0.02964 73 2PZ -0.05825 -0.26378 0.10678 -0.06430 -0.03475 74 3S 0.35388 0.97803 -0.33900 0.07222 0.77561 75 3PX 0.04607 0.02568 -0.45693 -0.24284 0.42682 76 3PY -0.19395 -0.39334 0.34363 -0.18761 -0.19118 77 3PZ 0.15289 0.59421 -0.32375 0.51730 0.12711 78 4XX -0.01652 0.01540 -0.02903 -0.01051 -0.01838 79 4YY -0.00417 -0.03569 0.02048 -0.00072 -0.04196 80 4ZZ -0.00476 -0.02519 0.03157 -0.00568 0.00579 81 4XY 0.01184 -0.11388 0.01236 -0.09018 -0.02997 82 4XZ -0.01822 0.01729 -0.02208 -0.02378 0.05803 83 4YZ -0.00532 -0.01920 0.02011 -0.04169 -0.05635 84 10 H 1S 0.06500 0.07379 -0.17678 -0.05070 -0.00832 85 2S -0.28536 -0.47096 0.23050 -0.38009 -0.01342 86 11 H 1S -0.07042 0.43342 -0.29350 0.14142 0.09183 87 2S -0.09367 -1.12928 0.88209 -0.22919 -0.75334 88 12 C 1S 0.00743 0.00467 0.01166 0.00038 -0.01168 89 2S 0.10454 -0.35698 -0.24834 -0.10990 -0.32075 90 2PX -0.06243 -0.01820 -0.07784 0.16462 -0.13909 91 2PY 0.06480 -0.23755 -0.11578 -0.08601 -0.02965 92 2PZ 0.05814 -0.26380 -0.10679 -0.06427 -0.03478 93 3S -0.35332 0.97805 0.33876 0.07209 0.77592 94 3PX -0.04606 0.02554 0.45682 -0.24297 0.42677 95 3PY -0.19381 0.39343 0.34362 0.18742 0.19123 96 3PZ -0.15275 0.59425 0.32393 0.51714 0.12723 97 4XX 0.01653 0.01540 0.02903 -0.01052 -0.01838 98 4YY 0.00415 -0.03569 -0.02048 -0.00071 -0.04197 99 4ZZ 0.00475 -0.02519 -0.03156 -0.00567 0.00578 100 4XY 0.01186 0.11388 0.01238 0.09017 0.02997 101 4XZ 0.01823 0.01730 0.02207 -0.02379 0.05805 102 4YZ -0.00532 0.01920 0.02013 0.04168 0.05635 103 13 H 1S -0.06495 0.07378 0.17677 -0.05073 -0.00834 104 2S 0.28516 -0.47102 -0.23058 -0.37998 -0.01352 105 14 H 1S 0.07056 0.43344 0.29353 0.14134 0.09185 106 2S 0.09329 -1.12929 -0.88204 -0.22889 -0.75346 107 15 C 1S 0.00000 -0.00105 0.00001 0.02834 -0.03482 108 2S -0.00003 0.28305 0.00010 0.55267 -0.49456 109 2PX 0.00004 0.33931 0.00002 0.10046 -0.03355 110 2PY 0.25317 -0.00003 0.00513 0.00000 0.00000 111 2PZ 0.00002 0.09395 -0.00001 -0.02686 0.02141 112 3S 0.00002 -0.94493 -0.00028 -1.64853 0.76971 113 3PX -0.00011 -1.00407 -0.00007 -0.29722 0.20859 114 3PY -0.75487 0.00011 0.36822 -0.00005 -0.00002 115 3PZ -0.00003 -0.17184 0.00000 -0.32310 -0.47083 116 4XX 0.00001 0.12178 0.00001 0.01926 -0.10785 117 4YY 0.00000 0.04702 0.00000 0.02847 0.00343 118 4ZZ -0.00002 -0.11867 0.00001 0.01475 -0.03329 119 4XY -0.00348 0.00000 -0.14957 0.00002 0.00000 120 4XZ 0.00001 0.04053 -0.00001 -0.05227 -0.15562 121 4YZ -0.10162 0.00002 0.05857 -0.00001 0.00001 122 16 C 1S -0.01055 -0.00077 0.00464 0.00906 0.01456 123 2S 0.10623 0.04340 -0.08611 -0.21047 0.32946 124 2PX -0.18605 -0.06333 0.06185 0.13896 -0.16832 125 2PY 0.18764 -0.06820 0.01294 -0.00778 0.05681 126 2PZ -0.04735 -0.09594 -0.13361 0.01332 0.05962 127 3S -1.28391 -0.24219 0.37562 0.44935 -0.04695 128 3PX 0.36663 0.03947 0.16435 0.21902 0.43540 129 3PY -1.23302 0.18406 0.21542 0.03773 -0.33739 130 3PZ -0.10710 0.17228 1.09968 0.11885 -0.13329 131 4XX -0.01128 0.00978 -0.04109 0.05134 -0.02859 132 4YY -0.01929 -0.00785 0.00393 -0.05462 0.04733 133 4ZZ -0.02235 0.00406 0.05029 0.04403 0.02859 134 4XY -0.00689 -0.01563 0.01315 0.01728 -0.01445 135 4XZ -0.07232 0.01521 0.01459 -0.01271 0.00874 136 4YZ -0.00020 0.04910 0.00216 -0.05357 -0.08902 137 17 C 1S 0.01055 -0.00077 -0.00463 0.00906 0.01455 138 2S -0.10626 0.04353 0.08606 -0.21049 0.32940 139 2PX 0.18605 -0.06338 -0.06181 0.13899 -0.16832 140 2PY 0.18766 0.06816 0.01294 0.00777 -0.05679 141 2PZ 0.04733 -0.09597 0.13362 0.01329 0.05961 142 3S 1.28392 -0.24284 -0.37554 0.44938 -0.04659 143 3PX -0.36668 0.03957 -0.16429 0.21901 0.43555 144 3PY -1.23304 -0.18369 0.21542 -0.03776 0.33721 145 3PZ 0.10708 0.17231 -1.09964 0.11909 -0.13322 146 4XX 0.01128 0.00978 0.04112 0.05132 -0.02858 147 4YY 0.01928 -0.00785 -0.00395 -0.05462 0.04732 148 4ZZ 0.02235 0.00406 -0.05028 0.04405 0.02859 149 4XY -0.00690 0.01563 0.01314 -0.01728 0.01444 150 4XZ 0.07233 0.01520 -0.01460 -0.01271 0.00874 151 4YZ -0.00020 -0.04910 0.00218 0.05356 0.08902 152 18 H 1S 0.00000 0.03418 0.00002 0.10069 -0.05042 153 2S 0.00003 0.62621 0.00010 0.47060 -0.32777 154 19 H 1S -0.07749 -0.00172 0.24494 0.08676 -0.02625 155 2S -0.14382 0.16841 0.29755 -0.04631 -0.02372 156 20 H 1S 0.07746 -0.00174 -0.24492 0.08684 -0.02624 157 2S 0.14384 0.16846 -0.29753 -0.04628 -0.02370 158 21 H 1S -0.00007 -0.47990 0.00002 0.10623 -0.03801 159 2S 0.00011 1.02059 0.00005 0.55778 0.19718 160 22 O 1S -0.00630 -0.00081 0.00160 0.00676 0.01302 161 2S -0.45996 -0.12910 -0.00511 0.07713 0.21748 162 2PX -0.26727 -0.05544 0.34300 -0.03155 0.07805 163 2PY -0.37365 -0.06620 -0.25202 -0.11428 0.13251 164 2PZ 0.03934 0.06602 -0.26390 -0.31515 -0.41553 165 3S 1.13272 0.11613 0.18405 -0.24660 -0.75788 166 3PX 0.45537 0.15944 -0.71496 0.24779 -0.11883 167 3PY 0.65950 0.20984 0.38797 0.20238 -0.16370 168 3PZ -0.00474 -0.18299 0.30478 0.62033 0.72952 169 4XX -0.12946 -0.07372 -0.09949 0.01288 0.14781 170 4YY -0.09191 -0.03558 0.04619 0.03104 -0.03221 171 4ZZ -0.21129 -0.01678 0.04754 0.00740 0.08807 172 4XY 0.01517 0.05144 0.01391 -0.00649 -0.04815 173 4XZ -0.00425 -0.00416 0.06626 0.02075 0.00927 174 4YZ 0.01381 -0.04611 0.00118 0.01465 0.02439 175 23 O 1S 0.00630 -0.00081 -0.00160 0.00676 0.01301 176 2S 0.45992 -0.12923 0.00512 0.07715 0.21748 177 2PX 0.26725 -0.05552 -0.34303 -0.03144 0.07803 178 2PY -0.37366 0.06628 -0.25199 0.11436 -0.13251 179 2PZ -0.03933 0.06604 0.26383 -0.31524 -0.41547 180 3S -1.13271 0.11643 -0.18406 -0.24663 -0.75784 181 3PX -0.45532 0.15956 0.71506 0.24759 -0.11884 182 3PY 0.65949 -0.20999 0.38791 -0.20253 0.16372 183 3PZ 0.00469 -0.18300 -0.30464 0.62045 0.72940 184 4XX 0.12945 -0.07376 0.09948 0.01286 0.14783 185 4YY 0.09190 -0.03562 -0.04618 0.03106 -0.03220 186 4ZZ 0.21128 -0.01683 -0.04754 0.00742 0.08806 187 4XY 0.01515 -0.05144 0.01391 0.00649 0.04815 188 4XZ 0.00425 -0.00417 -0.06625 0.02077 0.00927 189 4YZ 0.01382 0.04611 0.00118 -0.01465 -0.02439 111 112 113 114 115 V V V V V Eigenvalues -- 1.14919 1.15181 1.18938 1.20406 1.25130 1 1 C 1S 0.00786 -0.00319 0.00507 0.02078 0.00098 2 2S -0.40037 -0.27274 0.07643 0.20108 0.26938 3 2PX 0.03883 -0.16544 -0.02941 0.02839 -0.02092 4 2PY -0.29257 0.05617 0.10085 -0.33614 0.05187 5 2PZ 0.14141 -0.01254 0.08609 -0.02006 -0.06979 6 3S -0.28168 0.38269 -0.77875 -1.58197 -0.88690 7 3PX 0.01228 0.43428 -0.16980 -0.24595 0.56061 8 3PY 0.60655 -0.03650 -0.87180 1.77702 -0.14254 9 3PZ -0.63122 0.26797 -0.95516 0.38285 0.33156 10 4XX 0.02637 0.03278 -0.05379 -0.00355 -0.04305 11 4YY -0.02251 -0.01587 -0.01822 0.13683 -0.00401 12 4ZZ -0.02468 -0.04207 0.06161 -0.08047 0.04668 13 4XY -0.04115 -0.01486 -0.01871 0.05776 -0.05132 14 4XZ -0.10569 -0.00345 0.00811 -0.01915 -0.02178 15 4YZ 0.03877 -0.01704 -0.00911 0.02213 0.07804 16 2 H 1S 0.09800 0.04725 -0.13583 0.54274 0.05589 17 2S 0.29726 -0.20117 -0.30672 0.82811 0.06667 18 3 C 1S -0.00257 -0.00063 -0.00168 -0.00952 -0.04030 19 2S -0.01208 -0.04050 -0.18491 -0.35397 -0.90562 20 2PX -0.00654 0.01639 0.00057 -0.08114 -0.03388 21 2PY -0.05882 0.07545 -0.04395 -0.07630 -0.00013 22 2PZ -0.05678 0.02485 0.05181 -0.11858 0.15857 23 3S -0.39146 0.43589 0.02617 -0.07360 3.44745 24 3PX 0.62415 -0.04894 0.10614 0.45831 -0.04335 25 3PY 0.22609 -0.32295 0.42572 -0.85426 0.19817 26 3PZ 1.03970 -0.08515 0.14549 0.27903 -0.77034 27 4XX -0.05804 -0.02314 -0.00629 -0.02535 -0.04052 28 4YY 0.00413 0.00960 -0.02824 -0.01240 -0.01613 29 4ZZ 0.06676 0.00574 0.02310 -0.00044 -0.03164 30 4XY 0.03512 0.01183 -0.11160 0.02840 -0.06145 31 4XZ -0.01239 0.00408 0.00683 -0.05169 -0.07661 32 4YZ 0.05347 -0.04275 0.12668 -0.00006 -0.01152 33 4 H 1S 0.39931 -0.07332 0.14158 -0.05171 -0.37773 34 2S 0.39252 -0.13791 -0.02454 0.02719 -0.65745 35 5 C 1S 0.00256 -0.00063 -0.00168 0.00953 0.04029 36 2S 0.01198 -0.04057 -0.18501 0.35398 0.90553 37 2PX 0.00653 0.01637 0.00056 0.08116 0.03385 38 2PY -0.05888 -0.07542 0.04395 -0.07632 -0.00011 39 2PZ 0.05678 0.02479 0.05180 0.11860 -0.15859 40 3S 0.39199 0.43578 0.02637 0.07358 -3.44723 41 3PX -0.62410 -0.04847 0.10619 -0.45835 0.04346 42 3PY 0.22644 0.32296 -0.42557 -0.85426 0.19814 43 3PZ -1.03972 -0.08446 0.14545 -0.27908 0.77044 44 4XX 0.05803 -0.02318 -0.00629 0.02534 0.04054 45 4YY -0.00414 0.00959 -0.02824 0.01241 0.01611 46 4ZZ -0.06675 0.00578 0.02309 0.00045 0.03164 47 4XY 0.03512 -0.01185 0.11160 0.02841 -0.06145 48 4XZ 0.01238 0.00407 0.00682 0.05170 0.07660 49 4YZ 0.05350 0.04272 -0.12668 -0.00007 -0.01153 50 6 H 1S -0.39938 -0.07310 0.14154 0.05172 0.37773 51 2S -0.39262 -0.13768 -0.02459 -0.02723 0.65750 52 7 C 1S -0.00787 -0.00318 0.00507 -0.02078 -0.00099 53 2S 0.40027 -0.27296 0.07649 -0.20107 -0.26950 54 2PX -0.03892 -0.16544 -0.02941 -0.02839 0.02088 55 2PY -0.29258 -0.05597 -0.10082 -0.33616 0.05188 56 2PZ -0.14146 -0.01247 0.08607 0.02006 0.06977 57 3S 0.28169 0.38232 -0.77899 1.58187 0.88719 58 3PX -0.01195 0.43436 -0.16973 0.24594 -0.56042 59 3PY 0.60646 0.03601 0.87164 1.77714 -0.14245 60 3PZ 0.63158 0.26772 -0.95500 -0.38291 -0.33134 61 4XX -0.02636 0.03279 -0.05379 0.00356 0.04304 62 4YY 0.02251 -0.01587 -0.01821 -0.13684 0.00399 63 4ZZ 0.02466 -0.04209 0.06160 0.08047 -0.04665 64 4XY -0.04113 0.01488 0.01871 0.05776 -0.05132 65 4XZ 0.10568 -0.00351 0.00812 0.01916 0.02174 66 4YZ 0.03878 0.01702 0.00910 0.02212 0.07806 67 8 H 1S -0.09797 0.04735 -0.13576 -0.54273 -0.05596 68 2S -0.29729 -0.20093 -0.30662 -0.82815 -0.06670 69 9 C 1S -0.02843 -0.00258 -0.03867 0.01354 -0.01251 70 2S -0.38610 -0.05403 -0.80684 0.18716 -0.28715 71 2PX 0.08581 -0.01450 -0.11810 -0.00189 0.15113 72 2PY 0.01171 -0.04195 -0.04722 -0.04688 0.01429 73 2PZ -0.12784 0.10689 0.03613 0.16531 -0.03510 74 3S 1.27854 -0.35514 2.26063 -1.55198 0.92030 75 3PX -0.42717 -0.06769 0.04997 0.38250 -0.81708 76 3PY -0.53814 0.16632 -0.29987 -1.06562 0.24230 77 3PZ 0.56723 -0.04955 -0.52348 -0.43486 0.39191 78 4XX 0.01101 0.00148 0.00531 -0.00941 0.00447 79 4YY -0.01725 0.01421 -0.07307 -0.01429 -0.01315 80 4ZZ -0.05091 -0.02486 -0.05728 0.03753 -0.02261 81 4XY -0.00171 -0.00977 0.06083 -0.00513 -0.00753 82 4XZ 0.06509 -0.04530 -0.00095 -0.04322 0.09963 83 4YZ -0.03496 -0.00102 0.08695 -0.06300 -0.00479 84 10 H 1S -0.25529 -0.04409 -0.13646 0.08297 -0.18553 85 2S -0.49802 0.06717 -0.13539 0.20967 -0.35730 86 11 H 1S 0.00103 -0.08621 -0.10658 -0.14362 0.08689 87 2S -0.46147 0.24110 -0.36891 0.08249 -0.02828 88 12 C 1S 0.02843 -0.00259 -0.03866 -0.01354 0.01252 89 2S 0.38609 -0.05423 -0.80680 -0.18729 0.28730 90 2PX -0.08584 -0.01445 -0.11810 0.00188 -0.15120 91 2PY 0.01172 0.04195 0.04723 -0.04687 0.01430 92 2PZ 0.12790 0.10683 0.03616 -0.16529 0.03512 93 3S -1.27883 -0.35455 2.26035 1.55233 -0.92086 94 3PX 0.42722 -0.06793 0.05000 -0.38252 0.81723 95 3PY -0.53823 -0.16597 0.29999 -1.06557 0.24212 96 3PZ -0.56723 -0.04925 -0.52351 0.43471 -0.39186 97 4XX -0.01100 0.00149 0.00531 0.00941 -0.00443 98 4YY 0.01726 0.01420 -0.07306 0.01429 0.01316 99 4ZZ 0.05089 -0.02489 -0.05728 -0.03754 0.02259 100 4XY -0.00169 0.00977 -0.06083 -0.00513 -0.00757 101 4XZ -0.06510 -0.04527 -0.00095 0.04321 -0.09963 102 4YZ -0.03495 0.00105 -0.08695 -0.06301 -0.00478 103 13 H 1S 0.25528 -0.04423 -0.13644 -0.08301 0.18557 104 2S 0.49809 0.06691 -0.13535 -0.20968 0.35745 105 14 H 1S -0.00106 -0.08622 -0.10657 0.14357 -0.08683 106 2S 0.46152 0.24086 -0.36889 -0.08251 0.02828 107 15 C 1S -0.00001 -0.02226 0.04282 0.00000 0.00001 108 2S -0.00015 -0.30695 0.74512 0.00004 0.00016 109 2PX -0.00001 -0.06256 -0.28987 -0.00002 0.00000 110 2PY 0.03738 -0.00001 0.00000 0.00613 0.05638 111 2PZ -0.00005 -0.17962 -0.02063 -0.00001 0.00000 112 3S 0.00028 0.52644 -1.16903 -0.00005 -0.00048 113 3PX -0.00014 -0.47142 0.38999 -0.00001 -0.00001 114 3PY 0.44459 -0.00010 0.00009 -0.60836 0.11046 115 3PZ 0.00022 0.72200 -0.40987 0.00001 0.00005 116 4XX -0.00001 -0.00525 -0.00709 0.00000 0.00001 117 4YY 0.00001 0.04345 0.11032 0.00001 -0.00001 118 4ZZ -0.00005 -0.15072 0.01011 -0.00001 0.00002 119 4XY -0.00380 0.00001 0.00000 0.01964 -0.07459 120 4XZ -0.00007 -0.20513 0.00393 -0.00001 0.00001 121 4YZ -0.07036 0.00002 0.00000 0.06266 0.01610 122 16 C 1S -0.00047 0.02009 -0.00437 -0.00221 0.00740 123 2S -0.58327 0.13786 0.00694 -0.10254 0.25533 124 2PX 0.10248 0.04488 0.03917 0.09912 -0.16319 125 2PY -0.10002 0.07461 -0.06239 0.13992 0.04367 126 2PZ -0.10564 0.14697 0.11896 -0.07887 -0.13903 127 3S 2.40246 0.24735 0.10757 -0.94451 -0.57662 128 3PX 0.78409 0.10080 0.27639 -0.81511 1.00105 129 3PY 1.00237 -0.32034 0.36061 -0.65044 -0.10638 130 3PZ 0.95195 -0.09035 0.12057 -0.13831 1.11294 131 4XX 0.01185 0.09083 -0.08402 -0.02726 -0.08945 132 4YY 0.00070 0.00652 -0.02582 -0.00738 0.00790 133 4ZZ 0.01231 -0.04741 0.10279 -0.02351 0.11846 134 4XY 0.00286 -0.10439 -0.12499 -0.01384 -0.00733 135 4XZ -0.01111 -0.03153 -0.02072 -0.05657 0.02440 136 4YZ 0.00622 0.00929 0.02990 0.01880 0.03740 137 17 C 1S 0.00048 0.02009 -0.00437 0.00221 -0.00740 138 2S 0.58342 0.13748 0.00698 0.10252 -0.25522 139 2PX -0.10249 0.04496 0.03916 -0.09910 0.16315 140 2PY -0.10007 -0.07457 0.06236 0.13992 0.04370 141 2PZ 0.10573 0.14690 0.11896 0.07890 0.13906 142 3S -2.40236 0.24869 0.10728 0.94455 0.57651 143 3PX -0.78401 0.10114 0.27630 0.81511 -1.00087 144 3PY 1.00265 0.31980 -0.36049 -0.65049 -0.10642 145 3PZ -0.95199 -0.08986 0.12050 0.13827 -1.11291 146 4XX -0.01180 0.09083 -0.08402 0.02726 0.08951 147 4YY -0.00068 0.00653 -0.02581 0.00738 -0.00791 148 4ZZ -0.01234 -0.04741 0.10278 0.02352 -0.11848 149 4XY 0.00292 0.10439 0.12499 -0.01383 -0.00738 150 4XZ 0.01110 -0.03154 -0.02073 0.05657 -0.02438 151 4YZ 0.00623 -0.00929 -0.02991 0.01880 0.03740 152 18 H 1S 0.00006 0.23457 0.17322 0.00002 0.00005 153 2S -0.00003 -0.03986 -0.11236 -0.00001 0.00009 154 19 H 1S 0.19156 0.04870 0.24744 -0.01456 0.33508 155 2S 0.20002 -0.18480 -0.10085 -0.16688 0.34021 156 20 H 1S -0.19156 0.04881 0.24743 0.01460 -0.33505 157 2S -0.20011 -0.18473 -0.10087 0.16682 -0.34011 158 21 H 1S -0.00002 -0.03261 0.16180 0.00000 0.00005 159 2S -0.00019 -0.59775 0.58142 0.00001 0.00004 160 22 O 1S -0.00269 0.01387 0.01444 0.00266 -0.00397 161 2S 0.06948 0.27691 0.18834 0.02847 -0.01552 162 2PX 0.01745 -0.42862 -0.05378 -0.14130 -0.02074 163 2PY -0.03307 0.16124 -0.23454 -0.02797 -0.10514 164 2PZ 0.25398 0.11337 0.00039 -0.24956 0.09651 165 3S 0.37837 -0.66749 -0.37359 -0.15470 0.48094 166 3PX -0.38123 0.80362 0.10742 0.46139 -0.17356 167 3PY -0.01411 -0.27368 0.47981 0.08490 0.17038 168 3PZ -0.59740 -0.13662 0.11896 0.65343 -0.22159 169 4XX 0.03593 0.09323 0.09066 -0.00379 -0.08658 170 4YY 0.04319 -0.04859 0.04912 0.00812 0.01465 171 4ZZ -0.01520 0.19995 0.00773 0.00427 0.05319 172 4XY 0.00151 0.01898 -0.01806 0.03717 0.00456 173 4XZ 0.05757 0.05021 0.05267 0.02291 0.06198 174 4YZ -0.00741 -0.05364 -0.06414 0.03453 0.00272 175 23 O 1S 0.00269 0.01387 0.01444 -0.00266 0.00397 176 2S -0.06932 0.27696 0.18832 -0.02843 0.01551 177 2PX -0.01768 -0.42862 -0.05382 0.14124 0.02066 178 2PY -0.03318 -0.16122 0.23454 -0.02796 -0.10510 179 2PZ -0.25394 0.11347 0.00036 0.24961 -0.09657 180 3S -0.37881 -0.66731 -0.37355 0.15464 -0.48078 181 3PX 0.38165 0.80346 0.10753 -0.46128 0.17375 182 3PY -0.01394 0.27366 -0.47980 0.08489 0.17036 183 3PZ 0.59736 -0.13685 0.11907 -0.65349 0.22176 184 4XX -0.03587 0.09325 0.09065 0.00381 0.08654 185 4YY -0.04322 -0.04857 0.04911 -0.00812 -0.01461 186 4ZZ 0.01532 0.19995 0.00773 -0.00426 -0.05323 187 4XY 0.00151 -0.01900 0.01805 0.03716 0.00455 188 4XZ -0.05754 0.05024 0.05267 -0.02290 -0.06196 189 4YZ -0.00739 0.05363 0.06413 0.03455 0.00269 116 117 118 119 120 V V V V V Eigenvalues -- 1.26444 1.36727 1.37043 1.39834 1.42715 1 1 C 1S 0.02392 -0.00358 0.00677 0.03050 -0.00200 2 2S 0.22091 -0.04077 0.01112 0.38697 -0.13181 3 2PX 0.09520 0.00156 -0.04844 0.08857 -0.04700 4 2PY -0.00769 -0.08474 0.06387 0.07732 -0.07163 5 2PZ 0.04001 0.00427 0.04334 0.00873 -0.01716 6 3S -0.72343 -0.19834 0.47720 -1.03723 1.49119 7 3PX -0.49256 -0.09135 0.14319 -0.30268 -0.17396 8 3PY 0.42569 0.06655 -0.29280 -0.47512 1.33504 9 3PZ -0.58883 -0.42166 -0.46446 -0.24970 0.28072 10 4XX -0.00539 0.08805 -0.09579 0.19316 -0.03484 11 4YY 0.06298 0.05492 -0.02961 -0.05788 0.06531 12 4ZZ -0.04320 -0.15722 0.12102 -0.07222 0.00182 13 4XY 0.00116 -0.05291 -0.03342 -0.04501 0.05949 14 4XZ 0.07343 0.05173 -0.01907 -0.00090 -0.01869 15 4YZ 0.00022 0.09279 -0.07973 0.16038 -0.08213 16 2 H 1S 0.24025 -0.07995 -0.12310 0.04826 0.16497 17 2S 0.14685 0.05371 -0.12083 -0.05562 0.34045 18 3 C 1S 0.01227 0.00328 0.02932 -0.00468 0.01976 19 2S 0.34827 0.08659 0.56138 -0.12302 0.40284 20 2PX 0.10634 0.06345 0.03727 0.02796 0.00538 21 2PY 0.08202 0.00680 -0.01959 -0.06945 -0.02606 22 2PZ 0.10522 0.03884 0.07477 -0.05086 0.09537 23 3S -0.62685 -0.21290 -1.90556 0.03567 -2.72097 24 3PX -0.43446 -0.22872 -0.59550 0.29032 -0.90085 25 3PY -0.20073 -0.02375 -0.40934 0.41295 -1.27690 26 3PZ -0.40484 -0.17272 -0.25589 0.39825 -1.30237 27 4XX -0.00590 -0.15184 0.12136 -0.19817 0.08195 28 4YY 0.06995 0.04889 0.00224 -0.04169 -0.00145 29 4ZZ -0.05183 0.09881 -0.07748 0.22884 -0.07075 30 4XY -0.00335 0.04171 -0.00473 0.02396 0.01594 31 4XZ 0.04866 0.05834 0.05475 -0.06705 -0.00709 32 4YZ -0.01372 -0.05325 0.02861 -0.11103 -0.01248 33 4 H 1S -0.06922 -0.04122 0.01284 0.19106 -0.23640 34 2S -0.22114 -0.14751 -0.04584 0.24130 -0.43832 35 5 C 1S 0.01229 0.00326 -0.02932 -0.00468 -0.01976 36 2S 0.34857 0.08625 -0.56142 -0.12311 -0.40281 37 2PX 0.10634 0.06343 -0.03731 0.02796 -0.00539 38 2PY -0.08202 -0.00681 -0.01960 0.06945 -0.02609 39 2PZ 0.10516 0.03879 -0.07477 -0.05088 -0.09534 40 3S -0.62808 -0.21158 1.90580 0.03604 2.72110 41 3PX -0.43445 -0.22825 0.59556 0.29043 0.90077 42 3PY 0.20085 0.02349 -0.40921 -0.41314 -1.27675 43 3PZ -0.40457 -0.17237 0.25589 0.39837 1.30221 44 4XX -0.00589 -0.15191 -0.12126 -0.19819 -0.08189 45 4YY 0.06995 0.04889 -0.00227 -0.04169 0.00145 46 4ZZ -0.05182 0.09886 0.07740 0.22886 0.07070 47 4XY 0.00332 -0.04171 -0.00470 -0.02396 0.01594 48 4XZ 0.04868 0.05832 -0.05477 -0.06705 0.00709 49 4YZ 0.01372 0.05325 0.02858 0.11103 -0.01249 50 6 H 1S -0.06910 -0.04119 -0.01287 0.19108 0.23633 51 2S -0.22092 -0.14742 0.04584 0.24135 0.43823 52 7 C 1S 0.02392 -0.00358 -0.00677 0.03050 0.00200 53 2S 0.22081 -0.04066 -0.01111 0.38698 0.13179 54 2PX 0.09521 0.00161 0.04843 0.08857 0.04698 55 2PY 0.00772 0.08478 0.06385 -0.07731 -0.07161 56 2PZ 0.04004 0.00425 -0.04335 0.00874 0.01714 57 3S -0.72311 -0.19909 -0.47715 -1.03741 -1.49116 58 3PX -0.49276 -0.09143 -0.14306 -0.30272 0.17410 59 3PY -0.42580 -0.06658 -0.29294 0.47517 1.33483 60 3PZ -0.58896 -0.42142 0.46474 -0.24968 -0.28052 61 4XX -0.00538 0.08809 0.09571 0.19319 0.03479 62 4YY 0.06299 0.05495 0.02960 -0.05786 -0.06530 63 4ZZ -0.04322 -0.15729 -0.12093 -0.07226 -0.00179 64 4XY -0.00119 0.05289 -0.03345 0.04498 0.05949 65 4XZ 0.07344 0.05174 0.01903 -0.00089 0.01867 66 4YZ -0.00019 -0.09283 -0.07965 -0.16040 -0.08210 67 8 H 1S 0.24026 -0.07988 0.12316 0.04828 -0.16494 68 2S 0.14686 0.05381 0.12086 -0.05562 -0.34036 69 9 C 1S -0.04203 -0.03924 -0.02431 0.00602 0.02058 70 2S -0.63862 -0.61941 -0.27355 0.37932 0.23043 71 2PX 0.18521 -0.11435 0.14698 -0.00622 0.08343 72 2PY 0.01357 -0.10159 0.05221 0.06503 -0.01100 73 2PZ 0.00062 0.20108 -0.08277 -0.15538 0.03385 74 3S 1.87554 1.34542 1.31472 0.00594 -1.59094 75 3PX -0.37828 0.22826 -0.85142 -0.05329 -0.28458 76 3PY -0.53870 -0.18618 0.30540 -0.18185 -0.32749 77 3PZ -0.11669 -0.40816 0.29494 -0.02036 0.36404 78 4XX -0.07913 -0.08727 0.02641 -0.06994 0.05219 79 4YY -0.04833 -0.05725 0.01105 0.00787 -0.00257 80 4ZZ 0.01808 0.07246 -0.07487 0.09473 -0.03762 81 4XY -0.09061 -0.07417 0.04412 -0.07224 0.02525 82 4XZ -0.00975 -0.00434 0.08844 0.00130 0.00861 83 4YZ 0.01384 -0.13572 0.04114 -0.00582 -0.02395 84 10 H 1S -0.17107 -0.21643 -0.17230 0.02049 0.00120 85 2S -0.47082 0.11143 -0.39296 0.00455 -0.05612 86 11 H 1S -0.15630 -0.17608 0.07097 -0.03532 0.13077 87 2S -0.12884 -0.30976 0.06200 0.14672 0.17729 88 12 C 1S -0.04202 -0.03923 0.02432 0.00602 -0.02058 89 2S -0.63850 -0.61929 0.27377 0.37937 -0.23046 90 2PX 0.18517 -0.11443 -0.14691 -0.00626 -0.08341 91 2PY -0.01357 0.10161 0.05217 -0.06501 -0.01099 92 2PZ 0.00065 0.20111 0.08269 -0.15537 -0.03383 93 3S 1.87509 1.34492 -1.31533 0.00577 1.59082 94 3PX -0.37802 0.22875 0.85130 -0.05309 0.28455 95 3PY 0.53885 0.18639 0.30531 0.18193 -0.32751 96 3PZ -0.11683 -0.40837 -0.29470 -0.02047 -0.36400 97 4XX -0.07912 -0.08729 -0.02634 -0.06995 -0.05216 98 4YY -0.04833 -0.05727 -0.01103 0.00787 0.00257 99 4ZZ 0.01809 0.07252 0.07480 0.09475 0.03758 100 4XY 0.09061 0.07419 0.04405 0.07225 0.02520 101 4XZ -0.00978 -0.00438 -0.08843 0.00128 -0.00858 102 4YZ -0.01384 0.13574 0.04108 0.00582 -0.02394 103 13 H 1S -0.17100 -0.21633 0.17239 0.02052 -0.00120 104 2S -0.47069 0.11163 0.39289 0.00465 0.05610 105 14 H 1S -0.15632 -0.17614 -0.07089 -0.03534 -0.13077 106 2S -0.12881 -0.30982 -0.06187 0.14670 -0.17727 107 15 C 1S -0.05234 -0.00937 0.00000 0.02837 0.00000 108 2S -0.82028 0.04646 -0.00002 0.32664 0.00000 109 2PX -0.05178 0.02876 -0.00001 -0.04113 0.00000 110 2PY 0.00001 -0.00005 -0.17748 0.00000 0.06183 111 2PZ 0.00193 0.03011 -0.00001 0.01053 0.00000 112 3S 2.59753 -0.03909 0.00005 -1.08477 -0.00001 113 3PX 0.02762 -0.30913 0.00005 0.26523 -0.00002 114 3PY 0.00005 -0.00025 -0.98905 -0.00001 0.27315 115 3PZ -0.30562 0.12323 -0.00004 0.05754 0.00003 116 4XX -0.08376 0.07476 -0.00002 0.08339 0.00000 117 4YY 0.10592 -0.07448 0.00001 -0.00379 -0.00001 118 4ZZ -0.08509 -0.01018 0.00001 -0.05407 0.00001 119 4XY -0.00002 0.00002 0.06746 -0.00003 -0.36239 120 4XZ -0.07623 0.12740 -0.00003 -0.04479 -0.00001 121 4YZ 0.00001 0.00003 0.16919 0.00003 0.29045 122 16 C 1S -0.01132 0.01608 -0.02507 -0.02890 -0.00966 123 2S -0.31839 0.38195 -0.34966 -0.50969 -0.36817 124 2PX 0.13208 -0.07670 0.03620 0.15008 0.07936 125 2PY 0.11102 0.03979 -0.00262 -0.04250 0.06977 126 2PZ 0.01302 0.17793 -0.08782 -0.10667 0.00326 127 3S 0.36088 -0.57789 1.52872 1.15161 1.28220 128 3PX -0.44545 -0.20681 -0.41952 0.05036 0.35583 129 3PY -0.23811 -0.11177 1.91699 -0.10755 -0.34126 130 3PZ -0.24828 -0.51295 0.14057 0.49915 -0.18122 131 4XX -0.14379 -0.02772 -0.15326 -0.13942 0.01153 132 4YY 0.02601 0.05750 0.01372 -0.09254 -0.00073 133 4ZZ 0.02879 -0.01614 0.08839 0.22977 0.00603 134 4XY -0.12682 0.24440 0.03350 -0.07507 -0.01109 135 4XZ -0.04358 0.17100 -0.07170 -0.01106 -0.02502 136 4YZ -0.00766 -0.10529 0.00043 -0.09730 -0.09729 137 17 C 1S -0.01132 0.01609 0.02506 -0.02890 0.00966 138 2S -0.31849 0.38211 0.34952 -0.50964 0.36823 139 2PX 0.13213 -0.07672 -0.03619 0.15008 -0.07937 140 2PY -0.11101 -0.03980 -0.00262 0.04251 0.06976 141 2PZ 0.01307 0.17797 0.08775 -0.10665 -0.00325 142 3S 0.36109 -0.57868 -1.52853 1.15144 -1.28226 143 3PX -0.44576 -0.20671 0.41962 0.05034 -0.35585 144 3PY 0.23809 0.11278 1.91695 0.10767 -0.34123 145 3PZ -0.24863 -0.51307 -0.14029 0.49916 0.18118 146 4XX -0.14376 -0.02766 0.15329 -0.13938 -0.01154 147 4YY 0.02601 0.05748 -0.01374 -0.09254 0.00074 148 4ZZ 0.02875 -0.01616 -0.08840 0.22975 -0.00602 149 4XY 0.12682 -0.24439 0.03360 0.07508 -0.01112 150 4XZ -0.04358 0.17103 0.07162 -0.01105 0.02502 151 4YZ 0.00766 0.10530 0.00037 0.09727 -0.09728 152 18 H 1S -0.23101 0.05445 -0.00001 0.04469 0.00001 153 2S -0.48245 0.12573 -0.00003 -0.00428 0.00001 154 19 H 1S -0.00522 -0.04451 0.14545 -0.04197 -0.15830 155 2S -0.37744 -0.19556 0.29880 -0.02651 -0.29764 156 20 H 1S -0.00533 -0.04460 -0.14542 -0.04198 0.15830 157 2S -0.37756 -0.19574 -0.29871 -0.02652 0.29764 158 21 H 1S -0.24447 -0.12868 0.00002 0.14251 0.00000 159 2S -0.15182 0.08179 -0.00003 0.16880 -0.00001 160 22 O 1S 0.01455 -0.01718 -0.00040 0.01508 -0.01365 161 2S 0.05294 -0.18685 0.11858 0.14227 -0.27648 162 2PX 0.21549 -0.03748 -0.30951 -0.07783 0.05462 163 2PY 0.04575 -0.02606 0.10738 0.03037 0.02989 164 2PZ 0.11012 0.11038 -0.23797 -0.01675 0.19768 165 3S -0.51402 0.73226 -0.07686 -0.51164 0.78442 166 3PX -0.58277 -0.02969 0.94742 0.49767 -0.27269 167 3PY 0.07612 -0.04240 -0.50160 -0.07314 -0.00135 168 3PZ -0.39592 -0.27897 0.85922 0.18069 -0.65036 169 4XX 0.11645 -0.05534 -0.01961 0.19814 -0.23036 170 4YY -0.11171 0.05174 -0.03179 0.00868 -0.05919 171 4ZZ 0.09469 -0.18554 0.12819 -0.06378 0.07431 172 4XY -0.06692 0.08982 0.06605 0.06224 0.20151 173 4XZ -0.02391 -0.00082 0.10042 -0.04656 -0.06393 174 4YZ -0.07718 0.01154 0.05883 -0.12321 -0.19170 175 23 O 1S 0.01455 -0.01718 0.00041 0.01508 0.01365 176 2S 0.05291 -0.18685 -0.11850 0.14224 0.27647 177 2PX 0.21549 -0.03734 0.30952 -0.07780 -0.05463 178 2PY -0.04579 0.02612 0.10736 -0.03037 0.02990 179 2PZ 0.11008 0.11049 0.23792 -0.01676 -0.19768 180 3S -0.51409 0.73214 0.07655 -0.51159 -0.78435 181 3PX -0.58269 -0.03012 -0.94743 0.49759 0.27272 182 3PY -0.07602 0.04212 -0.50158 0.07312 -0.00134 183 3PZ -0.39582 -0.27936 -0.85912 0.18070 0.65034 184 4XX 0.11648 -0.05533 0.01962 0.19818 0.23037 185 4YY -0.11174 0.05178 0.03176 0.00866 0.05920 186 4ZZ 0.09466 -0.18558 -0.12809 -0.06383 -0.07434 187 4XY 0.06692 -0.08979 0.06610 -0.06221 0.20150 188 4XZ -0.02393 -0.00085 -0.10041 -0.04658 0.06393 189 4YZ 0.07716 -0.01150 0.05883 0.12320 -0.19169 121 122 123 124 125 V V V V V Eigenvalues -- 1.43217 1.43861 1.47573 1.49205 1.52644 1 1 C 1S -0.00101 -0.00078 -0.03063 -0.03114 -0.00605 2 2S 0.01666 -0.20853 -0.35363 -0.64134 0.04301 3 2PX 0.05030 -0.19410 -0.06782 -0.11835 -0.00943 4 2PY 0.07919 -0.06674 0.03658 -0.04194 0.03941 5 2PZ -0.00583 -0.09649 0.03726 0.03270 0.02638 6 3S -0.02374 2.13501 1.31304 2.40658 -0.17909 7 3PX -0.27410 0.16797 -0.12634 -0.12807 -0.23800 8 3PY -0.49523 1.88332 -0.33221 0.76081 -0.54518 9 3PZ -0.38771 0.68789 0.03822 -0.54784 -0.83973 10 4XX 0.14756 -0.03033 -0.03524 0.20761 0.05014 11 4YY -0.04501 0.07767 0.03734 -0.07437 0.00718 12 4ZZ -0.11622 -0.00319 -0.03370 -0.14441 -0.06458 13 4XY 0.01038 0.03741 0.25407 -0.00255 0.01542 14 4XZ 0.10680 -0.01956 0.18621 0.00477 0.01454 15 4YZ 0.10273 -0.14840 -0.08561 0.09063 -0.06503 16 2 H 1S -0.06441 0.25013 -0.19620 -0.00852 -0.13856 17 2S -0.22000 0.43116 -0.27320 0.00678 -0.19637 18 3 C 1S -0.00002 0.03416 0.00419 0.00386 0.00339 19 2S -0.06276 0.63063 -0.15358 0.09953 -0.13753 20 2PX 0.05038 0.00832 -0.08892 0.03797 -0.19639 21 2PY -0.06093 0.00134 -0.08896 0.00144 -0.07035 22 2PZ -0.08100 0.14279 -0.10387 0.05481 -0.03981 23 3S -0.34734 -4.15939 -0.46521 -1.29848 -0.48076 24 3PX 0.08223 -1.45995 0.15038 -0.99558 0.17986 25 3PY 0.49788 -2.49204 0.54029 0.16307 0.59534 26 3PZ 0.27540 -2.11025 0.14329 -1.13945 0.31873 27 4XX -0.21139 0.12328 0.07412 -0.14260 0.17054 28 4YY 0.00846 -0.00994 0.00939 0.01634 -0.07034 29 4ZZ 0.16897 -0.11273 -0.07808 0.12415 -0.07491 30 4XY -0.03947 0.01261 -0.09515 -0.01622 0.42477 31 4XZ 0.00114 0.00792 -0.00437 -0.04653 0.09818 32 4YZ -0.03373 -0.02767 0.17961 -0.03405 -0.26611 33 4 H 1S 0.17048 -0.44197 0.09251 -0.12985 0.09592 34 2S 0.18636 -0.85122 0.23723 -0.35067 0.29640 35 5 C 1S -0.00002 -0.03416 0.00419 -0.00385 0.00339 36 2S -0.06275 -0.63061 -0.15371 -0.09956 -0.13757 37 2PX 0.05038 -0.00829 -0.08891 -0.03800 -0.19639 38 2PY 0.06093 0.00133 0.08896 0.00146 0.07036 39 2PZ -0.08100 -0.14278 -0.10390 -0.05484 -0.03982 40 3S -0.34742 4.15945 -0.46453 1.29827 -0.48053 41 3PX 0.08219 1.45987 0.15049 0.99562 0.17990 42 3PY -0.49777 -2.49205 -0.54096 0.16285 -0.59554 43 3PZ 0.27533 2.11015 0.14352 1.13947 0.31880 44 4XX -0.21138 -0.12333 0.07405 0.14263 0.17051 45 4YY 0.00845 0.00994 0.00940 -0.01634 -0.07034 46 4ZZ 0.16897 0.11278 -0.07802 -0.12417 -0.07489 47 4XY 0.03948 0.01262 0.09515 -0.01622 -0.42477 48 4XZ 0.00115 -0.00793 -0.00438 0.04652 0.09817 49 4YZ 0.03372 -0.02764 -0.17960 -0.03408 0.26610 50 6 H 1S 0.17046 0.44196 0.09259 0.12987 0.09594 51 2S 0.18632 0.85118 0.23737 0.35074 0.29645 52 7 C 1S -0.00101 0.00079 -0.03064 0.03113 -0.00605 53 2S 0.01666 0.20862 -0.35374 0.64125 0.04298 54 2PX 0.05028 0.19414 -0.06780 0.11833 -0.00942 55 2PY -0.07919 -0.06676 -0.03658 -0.04195 -0.03941 56 2PZ -0.00584 0.09647 0.03728 -0.03269 0.02639 57 3S -0.02373 -2.13525 1.31314 -2.40619 -0.17906 58 3PX -0.27406 -0.16793 -0.12646 0.12803 -0.23800 59 3PY 0.49520 1.88323 0.33246 0.76081 0.54531 60 3PZ -0.38762 -0.68781 0.03796 0.54786 -0.83978 61 4XX 0.14756 0.03035 -0.03518 -0.20762 0.05013 62 4YY -0.04499 -0.07768 0.03730 0.07436 0.00716 63 4ZZ -0.11623 0.00318 -0.03373 0.14442 -0.06457 64 4XY -0.01039 0.03745 -0.25406 -0.00260 -0.01541 65 4XZ 0.10680 0.01954 0.18622 -0.00473 0.01454 66 4YZ -0.10272 -0.14845 0.08555 0.09065 0.06502 67 8 H 1S -0.06440 -0.25007 -0.19626 0.00848 -0.13859 68 2S -0.21999 -0.43109 -0.27330 -0.00684 -0.19641 69 9 C 1S -0.00877 0.01116 0.02549 -0.00800 -0.01518 70 2S -0.07612 0.10822 0.31989 -0.14572 -0.17854 71 2PX -0.11635 0.14125 -0.01983 0.00559 -0.05062 72 2PY 0.01550 -0.00977 0.01888 -0.03492 -0.04832 73 2PZ -0.02711 0.05487 0.00824 0.10762 -0.09711 74 3S 0.60555 -1.65731 -0.92473 -0.13159 0.98801 75 3PX 0.27254 -0.75767 0.16004 -0.29108 0.03780 76 3PY -0.14040 -0.05565 0.25710 -0.06412 -0.19506 77 3PZ -0.15533 0.73000 0.07820 0.12537 -0.26381 78 4XX -0.08172 0.09640 -0.15995 0.01251 0.03921 79 4YY -0.02742 0.00415 0.03118 -0.01738 0.05392 80 4ZZ 0.09953 -0.10363 0.15504 -0.01155 -0.09874 81 4XY -0.16091 0.02410 -0.28772 -0.04554 -0.05599 82 4XZ -0.09808 0.01820 -0.20221 -0.06225 -0.13139 83 4YZ 0.04301 -0.00984 0.06538 -0.02538 0.19136 84 10 H 1S -0.01871 -0.13104 0.14760 -0.17145 -0.01188 85 2S 0.07826 -0.20127 0.12157 -0.03239 -0.03459 86 11 H 1S -0.01753 0.18230 0.06189 -0.03241 -0.07638 87 2S -0.28427 0.32805 0.15928 0.17326 -0.09899 88 12 C 1S -0.00877 -0.01117 0.02549 0.00801 -0.01519 89 2S -0.07613 -0.10823 0.31984 0.14585 -0.17856 90 2PX -0.11636 -0.14125 -0.01987 -0.00559 -0.05063 91 2PY -0.01550 -0.00979 -0.01887 -0.03493 0.04832 92 2PZ -0.02710 -0.05489 0.00826 -0.10763 -0.09710 93 3S 0.60552 1.65742 -0.92443 0.13128 0.98810 94 3PX 0.27257 0.75769 0.16024 0.29112 0.03790 95 3PY 0.14037 -0.05555 -0.25709 -0.06417 0.19504 96 3PZ -0.15532 -0.72997 0.07802 -0.12532 -0.26385 97 4XX -0.08171 -0.09638 -0.15995 -0.01255 0.03922 98 4YY -0.02742 -0.00416 0.03118 0.01740 0.05393 99 4ZZ 0.09952 0.10362 0.15505 0.01157 -0.09876 100 4XY 0.16091 0.02407 0.28775 -0.04547 0.05599 101 4XZ -0.09809 -0.01817 -0.20224 0.06219 -0.13140 102 4YZ -0.04301 -0.00984 -0.06538 -0.02542 -0.19136 103 13 H 1S -0.01872 0.13103 0.14761 0.17150 -0.01187 104 2S 0.07828 0.20124 0.12164 0.03242 -0.03456 105 14 H 1S -0.01754 -0.18231 0.06184 0.03243 -0.07641 106 2S -0.28426 -0.32810 0.15923 -0.17320 -0.09901 107 15 C 1S 0.00077 0.00000 -0.00742 0.00000 -0.00680 108 2S 0.01674 0.00002 -0.12543 -0.00002 -0.07175 109 2PX -0.00494 0.00000 0.01564 0.00000 -0.06206 110 2PY 0.00000 0.03452 0.00003 -0.22517 0.00001 111 2PZ 0.03080 0.00001 -0.04163 -0.00001 -0.01866 112 3S 0.03712 -0.00008 0.46520 0.00009 0.66424 113 3PX 0.12312 0.00004 -0.11270 0.00000 0.01760 114 3PY -0.00002 0.28120 0.00009 -0.72594 0.00003 115 3PZ -0.34158 -0.00004 0.18397 0.00000 -0.18281 116 4XX -0.09706 -0.00001 0.02623 0.00000 -0.03329 117 4YY 0.02013 0.00001 0.02673 0.00001 0.04152 118 4ZZ 0.08016 0.00000 -0.04823 0.00000 -0.00095 119 4XY -0.00005 0.21280 0.00001 0.06656 0.00000 120 4XZ 0.03040 0.00000 -0.04434 -0.00001 0.03231 121 4YZ 0.00005 -0.27191 -0.00002 0.09108 -0.00001 122 16 C 1S -0.00385 0.01658 0.00715 0.02111 -0.00049 123 2S 0.00361 -0.08807 0.14007 0.09056 0.17197 124 2PX 0.01532 0.10449 -0.06908 0.00596 -0.07962 125 2PY -0.03602 0.01764 0.00616 -0.03432 -0.05612 126 2PZ 0.01483 -0.08305 0.02811 0.02015 0.02913 127 3S -0.11048 -0.19010 -0.34418 0.74610 -0.30714 128 3PX -0.06446 -0.02086 0.08190 0.98335 0.21226 129 3PY 0.12145 -0.27876 0.09941 0.90131 0.22855 130 3PZ -0.07393 0.57231 -0.02711 0.70278 0.03675 131 4XX 0.21496 0.10702 -0.09940 0.02320 -0.07297 132 4YY -0.00069 0.00400 0.03977 0.00395 0.03296 133 4ZZ -0.22844 -0.06480 0.04314 0.06361 0.00138 134 4XY -0.14688 0.01617 0.06074 -0.00409 -0.02552 135 4XZ -0.02644 -0.04685 0.02046 -0.01963 0.01797 136 4YZ 0.19398 0.04312 -0.07849 0.04865 0.01801 137 17 C 1S -0.00385 -0.01659 0.00715 -0.02111 -0.00049 138 2S 0.00367 0.08798 0.14015 -0.09056 0.17201 139 2PX 0.01533 -0.10447 -0.06910 -0.00597 -0.07964 140 2PY 0.03603 0.01765 -0.00615 -0.03431 0.05613 141 2PZ 0.01483 0.08303 0.02814 -0.02016 0.02914 142 3S -0.11079 0.19026 -0.34417 -0.74613 -0.30717 143 3PX -0.06453 0.02086 0.08208 -0.98330 0.21234 144 3PY -0.12135 -0.27875 -0.09953 0.90127 -0.22861 145 3PZ -0.07385 -0.57227 -0.02713 -0.70269 0.03676 146 4XX 0.21497 -0.10697 -0.09940 -0.02325 -0.07296 147 4YY -0.00067 -0.00402 0.03976 -0.00395 0.03296 148 4ZZ -0.22848 0.06477 0.04316 -0.06358 0.00139 149 4XY 0.14688 0.01623 -0.06074 -0.00407 0.02552 150 4XZ -0.02643 0.04683 0.02047 0.01963 0.01798 151 4YZ -0.19399 0.04308 0.07848 0.04865 -0.01801 152 18 H 1S -0.02912 0.00000 -0.03789 -0.00001 -0.03846 153 2S -0.02222 0.00000 -0.00258 -0.00001 -0.13428 154 19 H 1S -0.01372 0.10323 0.05903 0.24366 0.04604 155 2S 0.03309 0.14327 0.06981 0.38000 0.11076 156 20 H 1S -0.01370 -0.10324 0.05906 -0.24364 0.04605 157 2S 0.03313 -0.14327 0.06983 -0.37994 0.11078 158 21 H 1S 0.01705 0.00001 -0.03680 0.00000 -0.03031 159 2S 0.19120 0.00004 -0.23545 -0.00003 -0.00633 160 22 O 1S -0.00039 0.00265 -0.00126 -0.05075 0.01116 161 2S -0.04548 0.00101 0.00759 -0.82341 0.14873 162 2PX 0.08879 0.12765 0.00100 -0.02273 0.03658 163 2PY -0.02565 -0.04648 -0.00157 0.19774 -0.05596 164 2PZ -0.02735 0.02984 0.04200 -0.07302 -0.00277 165 3S 0.09447 0.03000 -0.00581 2.36693 -0.47565 166 3PX -0.27541 -0.39469 -0.05288 0.04314 -0.15514 167 3PY 0.09953 0.14657 0.02842 -0.79103 0.27378 168 3PZ 0.13944 -0.07894 -0.17943 0.16007 -0.03675 169 4XX -0.22340 0.16300 0.08907 -0.13921 0.05505 170 4YY 0.02320 0.01342 -0.04488 -0.39743 0.04833 171 4ZZ 0.15862 -0.16959 -0.04352 -0.10224 0.01048 172 4XY -0.08469 -0.11725 0.01307 -0.03636 -0.01813 173 4XZ 0.08437 -0.00745 -0.03140 -0.15587 0.03348 174 4YZ 0.12876 0.05764 -0.06722 0.03010 -0.01965 175 23 O 1S -0.00038 -0.00265 -0.00127 0.05076 0.01116 176 2S -0.04544 -0.00100 0.00741 0.82344 0.14868 177 2PX 0.08882 -0.12764 0.00098 0.02275 0.03657 178 2PY 0.02567 -0.04648 0.00152 0.19774 0.05595 179 2PZ -0.02736 -0.02985 0.04198 0.07303 -0.00278 180 3S 0.09432 -0.03005 -0.00535 -2.36706 -0.47550 181 3PX -0.27548 0.39468 -0.05281 -0.04317 -0.15513 182 3PY -0.09958 0.14655 -0.02824 -0.79107 -0.27373 183 3PZ 0.13949 0.07902 -0.17938 -0.16014 -0.03674 184 4XX -0.22334 -0.16305 0.08903 0.13925 0.05503 185 4YY 0.02323 -0.01342 -0.04497 0.39741 0.04830 186 4ZZ 0.15857 0.16964 -0.04352 0.10224 0.01048 187 4XY 0.08475 -0.11722 -0.01307 -0.03637 0.01813 188 4XZ 0.08437 0.00746 -0.03144 0.15586 0.03347 189 4YZ -0.12881 0.05760 0.06722 0.03015 0.01965 126 127 128 129 130 V V V V V Eigenvalues -- 1.58531 1.63997 1.66107 1.72040 1.72342 1 1 C 1S -0.06585 -0.00880 -0.02092 -0.00388 -0.00645 2 2S -0.86148 -0.21228 -0.24353 0.00379 -0.14039 3 2PX -0.12199 -0.04604 -0.02972 0.01769 0.00267 4 2PY 0.03388 -0.05603 -0.01751 0.01671 -0.04951 5 2PZ 0.06053 0.11499 0.03250 0.08982 -0.03353 6 3S 2.89455 -0.70223 0.02438 0.21994 0.44274 7 3PX 0.56271 0.18073 0.19372 0.07413 0.04717 8 3PY -0.24689 -0.40081 -0.29737 0.31931 0.55568 9 3PZ 0.09254 -0.11834 -0.17457 0.12178 -0.12064 10 4XX 0.01465 -0.21296 -0.09823 0.05787 0.09061 11 4YY -0.05881 0.01238 -0.03545 -0.02502 -0.08377 12 4ZZ -0.01471 0.20027 0.09848 -0.01134 0.00701 13 4XY -0.13105 0.18220 0.08504 -0.04383 -0.01997 14 4XZ -0.08623 -0.04656 0.01103 -0.09315 -0.04474 15 4YZ 0.10409 -0.21148 -0.09647 -0.16222 0.01441 16 2 H 1S -0.40062 0.01191 -0.04630 0.09655 0.09026 17 2S -0.42935 -0.12524 -0.12476 0.09147 0.24611 18 3 C 1S 0.00886 -0.01619 -0.01321 0.00191 0.00712 19 2S 0.08459 -0.44102 -0.29811 0.04334 0.01820 20 2PX -0.01941 -0.14528 -0.08141 0.00707 -0.00723 21 2PY -0.03679 -0.02995 0.00638 0.10126 0.02870 22 2PZ -0.01441 -0.03084 -0.01758 -0.01932 -0.04802 23 3S -0.58731 1.82087 1.23527 0.06455 -0.30189 24 3PX -0.22953 1.08927 0.48756 -0.07066 -0.19590 25 3PY 0.24849 0.85114 0.67273 -0.29229 -0.08257 26 3PZ -0.11397 1.25576 0.61121 -0.09022 -0.08227 27 4XX -0.04494 0.24383 0.08663 -0.01976 -0.17739 28 4YY 0.03282 -0.01244 0.00085 -0.09002 0.00094 29 4ZZ 0.04307 -0.20695 -0.08535 0.12271 0.20097 30 4XY 0.07928 0.01585 -0.01732 -0.12220 -0.03024 31 4XZ 0.03928 -0.06672 -0.03825 -0.04755 -0.02492 32 4YZ 0.04063 0.09573 0.05282 0.01505 0.00567 33 4 H 1S -0.02216 0.27153 0.14175 -0.03455 -0.03725 34 2S 0.01981 0.52883 0.24193 -0.09450 -0.03973 35 5 C 1S 0.00886 0.01619 0.01321 0.00191 0.00711 36 2S 0.08461 0.44101 0.29810 0.04333 0.01819 37 2PX -0.01940 0.14529 0.08140 0.00707 -0.00722 38 2PY 0.03679 -0.02995 0.00638 -0.10127 -0.02870 39 2PZ -0.01442 0.03085 0.01758 -0.01932 -0.04801 40 3S -0.58729 -1.82077 -1.23526 0.06467 -0.30179 41 3PX -0.22960 -1.08920 -0.48753 -0.07061 -0.19586 42 3PY -0.24852 0.85121 0.67274 0.29227 0.08258 43 3PZ -0.11402 -1.25568 -0.61116 -0.09016 -0.08223 44 4XX -0.04498 -0.24382 -0.08663 -0.01976 -0.17740 45 4YY 0.03283 0.01242 -0.00085 -0.09002 0.00095 46 4ZZ 0.04309 0.20695 0.08535 0.12271 0.20099 47 4XY -0.07928 0.01586 -0.01732 0.12220 0.03024 48 4XZ 0.03929 0.06673 0.03825 -0.04755 -0.02494 49 4YZ -0.04062 0.09574 0.05282 -0.01506 -0.00566 50 6 H 1S -0.02217 -0.27151 -0.14175 -0.03455 -0.03724 51 2S 0.01978 -0.52882 -0.24191 -0.09448 -0.03972 52 7 C 1S -0.06585 0.00881 0.02092 -0.00388 -0.00646 53 2S -0.86145 0.21240 0.24356 0.00381 -0.14040 54 2PX -0.12198 0.04605 0.02972 0.01769 0.00268 55 2PY -0.03389 -0.05603 -0.01751 -0.01672 0.04949 56 2PZ 0.06052 -0.11499 -0.03250 0.08981 -0.03350 57 3S 2.89455 0.70181 -0.02446 0.21976 0.44295 58 3PX 0.56269 -0.18080 -0.19375 0.07412 0.04726 59 3PY 0.24695 -0.40075 -0.29733 -0.31925 -0.55567 60 3PZ 0.09251 0.11830 0.17455 0.12174 -0.12053 61 4XX 0.01468 0.21298 0.09823 0.05787 0.09063 62 4YY -0.05881 -0.01236 0.03546 -0.02504 -0.08377 63 4ZZ -0.01475 -0.20029 -0.09849 -0.01133 0.00700 64 4XY 0.13107 0.18218 0.08503 0.04383 0.01995 65 4XZ -0.08621 0.04656 -0.01102 -0.09314 -0.04478 66 4YZ -0.10412 -0.21147 -0.09647 0.16222 -0.01443 67 8 H 1S -0.40064 -0.01187 0.04630 0.09656 0.09024 68 2S -0.42936 0.12525 0.12475 0.09146 0.24608 69 9 C 1S 0.02591 -0.00200 -0.01454 0.01475 0.00446 70 2S 0.33608 -0.04671 -0.26379 0.19284 0.08007 71 2PX 0.02967 -0.06842 -0.04872 0.04069 -0.00052 72 2PY -0.00504 -0.00558 0.01057 -0.06964 0.05024 73 2PZ 0.05334 0.03427 0.02603 -0.06464 -0.05616 74 3S -1.44904 0.35155 0.95060 -0.58115 -0.13111 75 3PX 0.02107 0.41004 0.21830 -0.11517 0.01593 76 3PY 0.48939 0.20975 0.30371 0.12683 -0.17429 77 3PZ 0.32270 -0.20133 -0.00193 0.25159 0.19251 78 4XX -0.03708 -0.00066 0.00064 -0.04662 0.08733 79 4YY 0.01479 0.02181 0.01098 0.20203 0.04831 80 4ZZ 0.03335 -0.01299 -0.01300 -0.13477 -0.14498 81 4XY 0.00082 0.05654 0.00550 -0.04704 0.05512 82 4XZ 0.12910 -0.07512 -0.04121 -0.07549 -0.04391 83 4YZ -0.21133 0.06639 0.06023 -0.10463 0.20632 84 10 H 1S 0.13091 0.04081 -0.04372 0.01005 0.03367 85 2S 0.13305 0.18487 0.02273 -0.03848 -0.05528 86 11 H 1S 0.10230 -0.11427 -0.05521 0.01435 0.05422 87 2S 0.14262 -0.01877 -0.21792 0.17103 -0.08446 88 12 C 1S 0.02591 0.00199 0.01454 0.01475 0.00448 89 2S 0.33607 0.04667 0.26380 0.19277 0.08037 90 2PX 0.02968 0.06841 0.04873 0.04069 -0.00052 91 2PY 0.00504 -0.00557 0.01057 0.06964 -0.05022 92 2PZ 0.05334 -0.03428 -0.02604 -0.06463 -0.05619 93 3S -1.44897 -0.35135 -0.95058 -0.58085 -0.13218 94 3PX 0.02098 -0.41006 -0.21831 -0.11520 0.01593 95 3PY -0.48940 0.20979 0.30372 -0.12688 0.17447 96 3PZ 0.32266 0.20127 0.00193 0.25154 0.19265 97 4XX -0.03709 0.00065 -0.00064 -0.04662 0.08733 98 4YY 0.01478 -0.02181 -0.01098 0.20202 0.04832 99 4ZZ 0.03338 0.01300 0.01301 -0.13477 -0.14499 100 4XY -0.00082 0.05654 0.00550 0.04705 -0.05512 101 4XZ 0.12911 0.07510 0.04121 -0.07549 -0.04388 102 4YZ 0.21133 0.06638 0.06021 0.10464 -0.20628 103 13 H 1S 0.13090 -0.04083 0.04372 0.01003 0.03376 104 2S 0.13303 -0.18489 -0.02273 -0.03850 -0.05523 105 14 H 1S 0.10230 0.11425 0.05521 0.01433 0.05430 106 2S 0.14264 0.01877 0.21792 0.17102 -0.08441 107 15 C 1S -0.04134 0.00000 0.00000 -0.05876 -0.02098 108 2S -0.49560 0.00002 0.00002 -0.84803 -0.19269 109 2PX 0.01187 0.00000 0.00000 -0.02825 -0.06419 110 2PY 0.00001 -0.01588 -0.08177 0.00000 0.00001 111 2PZ -0.09204 0.00001 -0.00001 -0.07633 -0.13577 112 3S 2.24398 -0.00011 -0.00006 3.65112 1.54631 113 3PX -0.26804 0.00002 0.00001 -0.60579 -0.19868 114 3PY 0.00001 0.03206 -0.23344 0.00002 0.00002 115 3PZ -0.11172 -0.00001 0.00001 -0.75965 0.12227 116 4XX 0.02134 0.00000 0.00000 -0.00332 -0.11161 117 4YY 0.05039 0.00000 0.00000 0.14475 0.22901 118 4ZZ -0.03714 0.00000 0.00000 -0.11952 -0.09293 119 4XY -0.00001 0.03198 -0.10537 0.00000 0.00000 120 4XZ -0.01880 0.00001 -0.00001 0.19465 -0.22961 121 4YZ 0.00001 -0.04286 0.13026 0.00001 0.00001 122 16 C 1S 0.04041 0.01146 0.02966 0.00048 0.02804 123 2S 0.60445 0.17751 0.43736 -0.06665 0.23559 124 2PX -0.05268 -0.02982 -0.15248 0.04970 -0.06287 125 2PY -0.06554 0.02327 -0.05151 -0.06865 -0.02153 126 2PZ 0.00407 -0.03323 0.03689 -0.00715 0.05305 127 3S -1.95203 -0.15908 -1.51228 0.27906 -1.27486 128 3PX -0.01999 0.73196 0.44935 0.16484 -0.11218 129 3PY 0.80112 -0.35742 0.20333 0.05415 0.70045 130 3PZ -0.31284 0.42071 0.50463 0.12504 0.00258 131 4XX -0.13148 -0.09443 0.25041 0.00428 0.10741 132 4YY 0.01155 0.00610 0.00870 0.02774 -0.02798 133 4ZZ 0.14561 0.11823 -0.23957 -0.03052 -0.02971 134 4XY -0.13908 -0.06859 0.04765 0.04721 0.33869 135 4XZ -0.05068 0.04522 -0.06136 0.05664 -0.19738 136 4YZ 0.14712 0.01642 0.15479 0.03911 -0.13481 137 17 C 1S 0.04041 -0.01147 -0.02966 0.00048 0.02805 138 2S 0.60441 -0.17758 -0.43742 -0.06667 0.23563 139 2PX -0.05266 0.02982 0.15248 0.04971 -0.06287 140 2PY 0.06555 0.02327 -0.05150 0.06864 0.02156 141 2PZ 0.00407 0.03323 -0.03689 -0.00715 0.05303 142 3S -1.95185 0.15935 1.51236 0.27913 -1.27507 143 3PX -0.02005 -0.73195 -0.44930 0.16484 -0.11218 144 3PY -0.80123 -0.35730 0.20332 -0.05413 -0.70050 145 3PZ -0.31288 -0.42069 -0.50458 0.12502 0.00268 146 4XX -0.13147 0.09443 -0.25040 0.00428 0.10742 147 4YY 0.01156 -0.00610 -0.00871 0.02774 -0.02801 148 4ZZ 0.14558 -0.11824 0.23958 -0.03051 -0.02968 149 4XY 0.13907 -0.06857 0.04765 -0.04721 -0.33870 150 4XZ -0.05068 -0.04520 0.06136 0.05664 -0.19742 151 4YZ -0.14712 0.01642 0.15481 -0.03910 0.13480 152 18 H 1S -0.23764 0.00001 0.00001 -0.28653 -0.09354 153 2S -0.17554 0.00000 0.00001 -0.31719 -0.09780 154 19 H 1S 0.16785 0.00408 0.34676 -0.04171 0.33558 155 2S 0.33048 0.10317 0.44346 0.02788 0.31051 156 20 H 1S 0.16784 -0.00412 -0.34674 -0.04172 0.33563 157 2S 0.33048 -0.10321 -0.44344 0.02786 0.31061 158 21 H 1S -0.18738 0.00001 0.00001 -0.12921 -0.17545 159 2S -0.33596 0.00002 0.00000 -0.33613 -0.26842 160 22 O 1S -0.00353 -0.02178 0.00012 0.05702 -0.00429 161 2S -0.06689 -0.45288 0.05887 0.82043 -0.00081 162 2PX 0.13681 0.07077 -0.01638 0.03146 0.04590 163 2PY -0.08839 0.05016 -0.02747 -0.08045 -0.15033 164 2PZ 0.12581 0.05578 -0.10631 -0.02321 0.07643 165 3S 0.23633 1.24079 -0.04363 -2.74998 0.12669 166 3PX -0.73387 -0.36015 0.25277 -0.20469 -0.55132 167 3PY 0.42557 -0.15274 -0.05210 0.90290 0.47152 168 3PZ -0.60160 -0.22919 0.24479 -0.13033 -0.58280 169 4XX 0.00875 -0.20403 0.27249 0.14559 0.00097 170 4YY -0.08091 -0.11479 -0.10931 0.38153 -0.10705 171 4ZZ 0.02457 0.01779 -0.14054 0.03771 0.11344 172 4XY 0.01817 -0.13352 0.15297 0.03966 -0.14818 173 4XZ -0.05813 -0.11001 -0.01015 0.24350 -0.08466 174 4YZ -0.08771 0.15811 -0.29312 -0.07082 -0.05502 175 23 O 1S -0.00353 0.02179 -0.00012 0.05702 -0.00429 176 2S -0.06690 0.45290 -0.05888 0.82041 -0.00078 177 2PX 0.13681 -0.07078 0.01638 0.03146 0.04590 178 2PY 0.08838 0.05015 -0.02748 0.08044 0.15034 179 2PZ 0.12581 -0.05580 0.10630 -0.02320 0.07644 180 3S 0.23636 -1.24088 0.04361 -2.74993 0.12665 181 3PX -0.73387 0.36023 -0.25275 -0.20470 -0.55128 182 3PY -0.42552 -0.15271 -0.05209 -0.90289 -0.47151 183 3PZ -0.60160 0.22927 -0.24478 -0.13038 -0.58277 184 4XX 0.00876 0.20402 -0.27248 0.14557 0.00100 185 4YY -0.08092 0.11480 0.10932 0.38152 -0.10708 186 4ZZ 0.02456 -0.01778 0.14053 0.03772 0.11345 187 4XY -0.01818 -0.13353 0.15299 -0.03966 0.14819 188 4XZ -0.05813 0.11002 0.01015 0.24349 -0.08461 189 4YZ 0.08771 0.15810 -0.29312 0.07082 0.05503 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77090 1.79420 1.86000 1.87774 1 1 C 1S 0.02083 0.00895 0.01305 -0.01185 -0.00027 2 2S 0.21968 -0.15013 0.42504 0.02958 -0.08241 3 2PX -0.01552 -0.10631 0.05173 0.04976 -0.09417 4 2PY -0.08117 -0.01625 0.17801 0.05539 0.03129 5 2PZ -0.16322 -0.16026 0.07973 0.02019 -0.01121 6 3S -1.44226 0.16620 -1.04147 0.80911 0.31400 7 3PX -0.50949 0.19351 0.05065 -0.53073 0.05458 8 3PY -0.00172 0.12660 -1.24007 0.64379 0.40343 9 3PZ -0.64775 0.22911 -0.24869 0.03756 -0.19188 10 4XX -0.03779 0.00104 0.03389 0.00844 0.15816 11 4YY 0.00264 -0.04572 -0.07296 -0.12202 -0.12100 12 4ZZ -0.01904 0.08852 0.02366 0.11666 0.04434 13 4XY -0.13125 0.12430 0.15868 -0.36430 0.14600 14 4XZ 0.14267 0.03973 -0.01947 -0.33699 -0.15177 15 4YZ -0.03594 0.24422 -0.06007 -0.09702 -0.01491 16 2 H 1S 0.13471 0.06204 -0.09438 0.13468 0.14724 17 2S 0.17821 -0.00722 -0.38264 0.15270 0.13335 18 3 C 1S 0.01125 0.00161 0.00062 0.01332 0.01746 19 2S 0.12871 -0.04614 0.03930 -0.04279 0.13350 20 2PX -0.01429 0.02877 0.06883 -0.03669 0.04025 21 2PY 0.00461 -0.10438 -0.07965 -0.10489 0.01524 22 2PZ -0.01998 0.05755 0.12899 -0.06130 0.05690 23 3S -0.66537 0.03729 0.15221 -1.12853 -0.50100 24 3PX -0.42312 -0.01480 0.38253 -0.36582 -0.20902 25 3PY -0.19062 0.12023 0.49069 -0.44226 0.04688 26 3PZ -0.38731 -0.05091 0.43219 -0.50661 -0.14939 27 4XX -0.00203 -0.02475 0.17808 -0.03265 0.00848 28 4YY -0.01887 0.17847 -0.02449 -0.12606 0.01567 29 4ZZ -0.02459 -0.15706 -0.15874 0.13248 0.04026 30 4XY -0.03990 0.08703 0.00665 0.05167 0.00707 31 4XZ 0.11779 -0.10979 -0.22737 0.01494 -0.28971 32 4YZ 0.01839 0.01907 -0.20111 -0.00363 -0.00626 33 4 H 1S -0.12130 0.05672 0.39236 -0.13906 0.12580 34 2S -0.17745 0.00012 0.22482 -0.18604 -0.04254 35 5 C 1S -0.01126 0.00161 0.00062 -0.01332 0.01745 36 2S -0.12874 -0.04613 0.03930 0.04279 0.13352 37 2PX 0.01430 0.02878 0.06883 0.03668 0.04026 38 2PY 0.00463 0.10438 0.07963 -0.10490 -0.01527 39 2PZ 0.01999 0.05755 0.12898 0.06129 0.05691 40 3S 0.66543 0.03718 0.15227 1.12846 -0.50081 41 3PX 0.42318 -0.01486 0.38255 0.36578 -0.20894 42 3PY -0.19073 -0.12016 -0.49074 -0.44227 -0.04695 43 3PZ 0.38737 -0.05098 0.43221 0.50655 -0.14922 44 4XX 0.00207 -0.02476 0.17808 0.03265 0.00845 45 4YY 0.01888 0.17847 -0.02450 0.12606 0.01568 46 4ZZ 0.02455 -0.15706 -0.15873 -0.13249 0.04027 47 4XY -0.03990 -0.08702 -0.00664 0.05167 -0.00703 48 4XZ -0.11781 -0.10978 -0.22736 -0.01494 -0.28974 49 4YZ 0.01840 -0.01906 0.20112 -0.00361 0.00627 50 6 H 1S 0.12134 0.05670 0.39237 0.13906 0.12585 51 2S 0.17749 0.00008 0.22483 0.18602 -0.04249 52 7 C 1S -0.02083 0.00895 0.01305 0.01185 -0.00026 53 2S -0.21966 -0.15013 0.42507 -0.02962 -0.08238 54 2PX 0.01551 -0.10631 0.05173 -0.04976 -0.09418 55 2PY -0.08121 0.01627 -0.17801 0.05540 -0.03133 56 2PZ 0.16323 -0.16027 0.07972 -0.02019 -0.01120 57 3S 1.44216 0.16618 -1.04165 -0.80898 0.31386 58 3PX 0.50950 0.19348 0.05067 0.53073 0.05465 59 3PY -0.00155 -0.12664 1.24013 0.64366 -0.40324 60 3PZ 0.64773 0.22910 -0.24868 -0.03753 -0.19189 61 4XX 0.03778 0.00103 0.03388 -0.00845 0.15817 62 4YY -0.00263 -0.04569 -0.07296 0.12203 -0.12107 63 4ZZ 0.01904 0.08850 0.02366 -0.11665 0.04440 64 4XY -0.13127 -0.12429 -0.15870 -0.36431 -0.14601 65 4XZ -0.14267 0.03972 -0.01945 0.33698 -0.15176 66 4YZ -0.03594 -0.24422 0.06008 -0.09702 0.01487 67 8 H 1S -0.13474 0.06205 -0.09437 -0.13465 0.14727 68 2S -0.17829 -0.00721 -0.38264 -0.15266 0.13328 69 9 C 1S -0.12518 -0.00035 -0.00845 0.00079 -0.00965 70 2S -1.56363 0.14137 -0.14158 0.27155 -0.08553 71 2PX -0.02237 0.05755 0.02212 -0.12188 0.03186 72 2PY 0.06202 0.22719 -0.09252 0.00463 0.05441 73 2PZ 0.12565 0.09408 0.00636 -0.05128 0.02299 74 3S 5.60435 -0.22419 0.61752 -0.87328 0.29419 75 3PX 0.03105 -0.14687 -0.25629 1.41168 -0.02935 76 3PY 0.91706 -0.24921 0.20166 -0.29291 -0.22953 77 3PZ -0.81669 0.02746 -0.31804 0.05453 0.08127 78 4XX -0.02077 0.10456 -0.10919 0.23057 0.11870 79 4YY 0.02761 -0.30990 -0.03440 0.03630 -0.07181 80 4ZZ -0.05495 0.19229 0.16316 -0.28341 -0.03568 81 4XY -0.00579 0.11448 -0.01423 0.26254 -0.02201 82 4XZ -0.08582 0.09077 0.10700 -0.01448 -0.06929 83 4YZ 0.13241 0.16755 -0.36415 0.03482 0.02328 84 10 H 1S -0.40233 -0.04100 -0.08458 0.20808 -0.09639 85 2S -0.24821 -0.03878 -0.03969 0.39234 -0.06890 86 11 H 1S -0.43469 0.00266 -0.03719 -0.28157 -0.05718 87 2S -0.33036 0.06385 0.15429 -0.34558 -0.13420 88 12 C 1S 0.12518 -0.00036 -0.00846 -0.00079 -0.00963 89 2S 1.56361 0.14129 -0.14166 -0.27153 -0.08542 90 2PX 0.02238 0.05755 0.02213 0.12188 0.03187 91 2PY 0.06203 -0.22720 0.09252 0.00461 -0.05442 92 2PZ -0.12563 0.09407 0.00636 0.05128 0.02298 93 3S -5.60427 -0.22394 0.61785 0.87323 0.29387 94 3PX -0.03108 -0.14686 -0.25636 -1.41167 -0.02945 95 3PY 0.91700 0.24915 -0.20169 -0.29286 0.22961 96 3PZ 0.81667 0.02744 -0.31809 -0.05452 0.08130 97 4XX 0.02074 0.10456 -0.10921 -0.23054 0.11870 98 4YY -0.02763 -0.30988 -0.03442 -0.03631 -0.07182 99 4ZZ 0.05500 0.19228 0.16319 0.28340 -0.03567 100 4XY -0.00579 -0.11450 0.01424 0.26253 0.02199 101 4XZ 0.08583 0.09076 0.10698 0.01446 -0.06926 102 4YZ 0.13246 -0.16757 0.36412 0.03477 -0.02331 103 13 H 1S 0.40232 -0.04102 -0.08461 -0.20809 -0.09635 104 2S 0.24822 -0.03879 -0.03973 -0.39234 -0.06892 105 14 H 1S 0.43468 0.00264 -0.03719 0.28157 -0.05713 106 2S 0.33038 0.06384 0.15428 0.34557 -0.13415 107 15 C 1S 0.00000 -0.02973 0.01145 0.00000 -0.03006 108 2S -0.00002 -0.45816 0.14936 0.00000 -0.28436 109 2PX 0.00001 0.02926 -0.09247 0.00001 0.07290 110 2PY 0.10018 0.00000 0.00000 0.01876 -0.00002 111 2PZ 0.00001 -0.06256 -0.04582 0.00000 0.02803 112 3S 0.00000 1.87524 0.00914 -0.00003 0.93779 113 3PX -0.00001 -0.31854 0.12456 0.00000 -0.72042 114 3PY 0.19502 0.00001 -0.00001 -0.01361 -0.00006 115 3PZ -0.00004 -0.47228 0.13237 0.00001 0.04966 116 4XX 0.00002 0.03871 -0.15274 0.00000 0.15398 117 4YY -0.00002 0.15479 0.19588 0.00000 -0.39644 118 4ZZ 0.00001 -0.17924 -0.04503 0.00000 0.27184 119 4XY -0.09819 0.00000 0.00001 -0.03599 0.00000 120 4XZ 0.00003 0.05058 -0.12551 0.00000 0.20798 121 4YZ 0.00620 0.00001 0.00001 0.06819 0.00001 122 16 C 1S -0.00440 0.00093 -0.01067 0.00721 0.01814 123 2S 0.02477 -0.01288 -0.11723 0.15400 0.34212 124 2PX -0.00472 -0.01369 -0.05850 -0.03454 0.09236 125 2PY 0.10180 -0.04658 -0.07241 0.00379 -0.02082 126 2PZ 0.09580 -0.03143 -0.02694 0.01810 0.19966 127 3S -0.55800 0.02134 -0.05560 -0.62435 -0.43617 128 3PX -0.66935 0.11326 0.00062 -0.02024 -0.01807 129 3PY -0.83829 0.08735 0.39892 -0.30335 0.01073 130 3PZ -0.98702 0.07777 0.28722 -0.09421 -0.18464 131 4XX 0.00609 0.01893 0.05974 0.01989 -0.08673 132 4YY 0.01855 0.02055 -0.03285 -0.00556 0.11482 133 4ZZ -0.08145 -0.05421 -0.03541 -0.03308 -0.06591 134 4XY -0.10620 0.07355 0.16396 -0.04391 -0.20445 135 4XZ 0.09133 0.07373 -0.11055 -0.00119 -0.13734 136 4YZ -0.02610 0.05050 0.00512 0.04271 -0.26362 137 17 C 1S 0.00440 0.00093 -0.01067 -0.00721 0.01815 138 2S -0.02479 -0.01289 -0.11721 -0.15401 0.34216 139 2PX 0.00474 -0.01368 -0.05850 0.03453 0.09237 140 2PY 0.10180 0.04658 0.07241 0.00379 0.02071 141 2PZ -0.09580 -0.03142 -0.02693 -0.01810 0.19965 142 3S 0.55819 0.02132 -0.05576 0.62435 -0.43601 143 3PX 0.66937 0.11322 0.00053 0.02026 -0.01816 144 3PY -0.83821 -0.08730 -0.39884 -0.30335 -0.01109 145 3PZ 0.98697 0.07770 0.28713 0.09418 -0.18431 146 4XX -0.00611 0.01893 0.05974 -0.01990 -0.08672 147 4YY -0.01853 0.02055 -0.03285 0.00558 0.11483 148 4ZZ 0.08144 -0.05422 -0.03540 0.03307 -0.06592 149 4XY -0.10613 -0.07355 -0.16395 -0.04390 0.20460 150 4XZ -0.09130 0.07374 -0.11055 0.00121 -0.13745 151 4YZ -0.02613 -0.05049 -0.00512 0.04271 0.26367 152 18 H 1S -0.00001 -0.20675 0.07907 0.00000 -0.03308 153 2S 0.00000 -0.13976 -0.06793 0.00001 0.20133 154 19 H 1S -0.17738 -0.04773 0.09541 0.00886 0.26081 155 2S -0.60127 0.10179 0.21687 -0.01303 -0.08215 156 20 H 1S 0.17732 -0.04774 0.09539 -0.00886 0.26099 157 2S 0.60121 0.10175 0.21684 0.01303 -0.08200 158 21 H 1S 0.00001 -0.00296 0.01389 0.00000 -0.36274 159 2S 0.00002 -0.09459 -0.09024 0.00000 -0.08656 160 22 O 1S 0.01606 0.02677 0.00078 0.00052 0.00939 161 2S 0.12770 0.43330 0.07304 -0.01548 0.12968 162 2PX 0.01717 0.01187 -0.05327 0.01834 0.00219 163 2PY 0.04212 -0.02607 -0.06273 0.00829 -0.03906 164 2PZ -0.02561 -0.01219 0.00892 -0.00858 0.05846 165 3S -0.74983 -1.41808 -0.10811 -0.04074 -0.41809 166 3PX 0.02014 -0.14160 -0.02438 0.00805 0.09709 167 3PY 0.13127 0.46445 0.19546 0.00549 0.16543 168 3PZ -0.02611 -0.09686 -0.16003 0.01410 -0.09790 169 4XX -0.00930 0.05155 -0.01731 0.02094 0.00727 170 4YY 0.16034 0.18222 -0.03392 -0.01757 0.08545 171 4ZZ -0.01567 0.03307 0.09922 -0.00392 0.00976 172 4XY 0.02344 0.06680 -0.12538 -0.00439 -0.02783 173 4XZ -0.13648 0.16402 0.01426 -0.05709 -0.07944 174 4YZ 0.05572 -0.10431 0.00217 0.01781 0.15687 175 23 O 1S -0.01605 0.02677 0.00078 -0.00052 0.00940 176 2S -0.12765 0.43330 0.07309 0.01546 0.12965 177 2PX -0.01718 0.01187 -0.05328 -0.01833 0.00222 178 2PY 0.04209 0.02607 0.06274 0.00828 0.03894 179 2PZ 0.02560 -0.01219 0.00892 0.00858 0.05844 180 3S 0.74965 -1.41810 -0.10825 0.04079 -0.41816 181 3PX -0.02006 -0.14160 -0.02436 -0.00804 0.09702 182 3PY 0.13131 -0.46445 -0.19549 0.00551 -0.16527 183 3PZ 0.02620 -0.09688 -0.16003 -0.01409 -0.09784 184 4XX 0.00929 0.05155 -0.01730 -0.02095 0.00723 185 4YY -0.16030 0.18222 -0.03391 0.01756 0.08568 186 4ZZ 0.01566 0.03307 0.09923 0.00392 0.00959 187 4XY 0.02340 -0.06680 0.12538 -0.00440 0.02770 188 4XZ 0.13651 0.16401 0.01427 0.05709 -0.07954 189 4YZ 0.05570 0.10431 -0.00218 0.01781 -0.15694 136 137 138 139 140 V V V V V Eigenvalues -- 1.88529 1.90843 1.93559 1.95824 1.97649 1 1 C 1S 0.00092 0.00091 -0.00048 0.02238 0.00855 2 2S -0.06224 -0.07389 -0.00415 0.45035 -0.14077 3 2PX -0.02040 0.03831 -0.06486 0.04119 0.10343 4 2PY 0.06504 0.02096 0.06626 0.15535 -0.12435 5 2PZ 0.04868 -0.01929 0.02265 0.05139 0.06910 6 3S 0.27108 -0.14648 0.11449 -1.31262 -0.14581 7 3PX 0.18337 0.20317 0.21468 0.07915 -0.23963 8 3PY -0.21466 -0.34681 0.24190 0.16908 0.17838 9 3PZ 0.03356 0.25701 -0.17268 -0.13908 -0.16003 10 4XX 0.03813 -0.09766 0.18833 0.25752 -0.00295 11 4YY -0.10546 -0.03084 -0.08182 -0.40712 0.00063 12 4ZZ 0.08179 0.07854 -0.04249 0.09325 -0.03726 13 4XY 0.04911 0.01399 0.29698 0.13385 -0.06864 14 4XZ -0.01320 0.25163 -0.00991 0.11377 0.09552 15 4YZ 0.07497 0.04739 -0.10414 -0.15451 -0.06255 16 2 H 1S 0.00743 -0.00978 0.16424 0.51560 0.04243 17 2S -0.15093 -0.14794 0.07184 0.05846 0.06083 18 3 C 1S -0.00128 -0.01176 0.00809 -0.00054 0.00030 19 2S 0.06114 -0.33229 -0.05925 -0.08525 0.04684 20 2PX 0.03095 -0.04523 0.02101 -0.05785 0.01280 21 2PY 0.04187 -0.10037 -0.08221 0.17752 0.07782 22 2PZ 0.02355 0.00533 0.01661 -0.05957 0.00766 23 3S 0.13770 0.61264 -0.13717 0.17782 -0.20487 24 3PX 0.05602 0.25458 -0.13884 0.34527 0.05888 25 3PY 0.15320 0.10513 0.10873 -0.33934 -0.04990 26 3PZ 0.19337 0.21554 -0.02354 0.46780 0.09418 27 4XX -0.01910 -0.15560 -0.20986 -0.10452 0.10942 28 4YY 0.03061 0.21564 0.20242 0.01482 -0.12303 29 4ZZ 0.00132 -0.14539 0.00752 0.05815 -0.00001 30 4XY -0.03807 -0.03266 0.01401 -0.09659 -0.19663 31 4XZ -0.06262 0.12759 -0.14355 -0.11616 0.04830 32 4YZ -0.01232 -0.14872 -0.00697 -0.15025 -0.20407 33 4 H 1S 0.10291 0.10239 0.07326 0.19701 0.17381 34 2S 0.07095 0.01816 -0.02616 0.03621 0.02152 35 5 C 1S 0.00129 -0.01176 0.00808 0.00055 0.00030 36 2S -0.06104 -0.33229 -0.05925 0.08528 0.04677 37 2PX -0.03092 -0.04523 0.02102 0.05786 0.01278 38 2PY 0.04185 0.10040 0.08218 0.17750 -0.07777 39 2PZ -0.02352 0.00533 0.01661 0.05957 0.00764 40 3S -0.13803 0.61253 -0.13707 -0.17793 -0.20470 41 3PX -0.05617 0.25451 -0.13878 -0.34531 0.05888 42 3PY 0.15322 -0.10516 -0.10869 -0.33932 0.04973 43 3PZ -0.19348 0.21545 -0.02347 -0.46784 0.09417 44 4XX 0.01912 -0.15558 -0.20987 0.10453 0.10947 45 4YY -0.03062 0.21562 0.20243 -0.01482 -0.12307 46 4ZZ -0.00128 -0.14539 0.00753 -0.05816 -0.00001 47 4XY -0.03808 0.03265 -0.01396 -0.09659 0.19657 48 4XZ 0.06246 0.12761 -0.14356 0.11611 0.04837 49 4YZ -0.01233 0.14873 0.00697 -0.15025 0.20404 50 6 H 1S -0.10285 0.10236 0.07328 -0.19699 0.17376 51 2S -0.07099 0.01814 -0.02616 -0.03622 0.02155 52 7 C 1S -0.00092 0.00090 -0.00048 -0.02238 0.00854 53 2S 0.06219 -0.07395 -0.00405 -0.45038 -0.14090 54 2PX 0.02035 0.03830 -0.06485 -0.04119 0.10342 55 2PY 0.06503 -0.02094 -0.06628 0.15534 0.12437 56 2PZ -0.04869 -0.01929 0.02263 -0.05139 0.06912 57 3S -0.27085 -0.14629 0.11412 1.31276 -0.14548 58 3PX -0.18337 0.20318 0.21463 -0.07915 -0.23956 59 3PY -0.21494 0.34675 -0.24184 0.16904 -0.17826 60 3PZ -0.03366 0.25699 -0.17265 0.13907 -0.16009 61 4XX -0.03804 -0.09765 0.18829 -0.25749 -0.00295 62 4YY 0.10539 -0.03079 -0.08185 0.40710 0.00073 63 4ZZ -0.08176 0.07848 -0.04243 -0.09326 -0.03734 64 4XY 0.04905 -0.01400 -0.29698 0.13386 0.06866 65 4XZ 0.01310 0.25162 -0.00991 -0.11379 0.09551 66 4YZ 0.07499 -0.04738 0.10411 -0.15447 0.06259 67 8 H 1S -0.00734 -0.00983 0.16428 -0.51559 0.04228 68 2S 0.15103 -0.14793 0.07185 -0.05846 0.06079 69 9 C 1S 0.03182 0.03101 0.00552 -0.00097 -0.01526 70 2S 0.31322 -0.12484 -0.24071 0.14907 -0.04508 71 2PX 0.02986 0.00916 -0.06669 0.02872 -0.05574 72 2PY 0.00278 -0.08251 -0.11090 0.10597 0.05546 73 2PZ -0.01182 0.02286 0.01411 -0.08710 0.03137 74 3S -1.12414 -0.29546 0.18937 -0.13624 0.32540 75 3PX -0.19106 -0.10220 -0.10190 -0.51991 0.16866 76 3PY -0.21132 0.29192 0.05772 -0.60632 -0.18176 77 3PZ 0.16956 -0.03795 0.05791 0.36450 -0.12833 78 4XX -0.01068 -0.29073 -0.00246 0.07556 0.10325 79 4YY -0.02392 0.32143 0.22706 0.05275 -0.18769 80 4ZZ 0.03294 -0.02348 -0.18634 -0.16019 0.08940 81 4XY 0.01962 0.13204 0.24603 -0.05132 0.00673 82 4XZ 0.06162 0.21217 -0.09435 -0.16608 -0.05252 83 4YZ 0.00775 0.04125 -0.01589 0.30050 0.03017 84 10 H 1S 0.09058 0.22372 -0.12164 -0.12719 -0.08409 85 2S -0.01295 -0.03383 -0.02108 -0.28849 0.07775 86 11 H 1S 0.12349 0.25388 0.17363 0.12583 -0.08073 87 2S 0.13094 -0.00157 -0.06368 -0.03165 -0.07935 88 12 C 1S -0.03183 0.03100 0.00552 0.00097 -0.01527 89 2S -0.31324 -0.12489 -0.24075 -0.14907 -0.04508 90 2PX -0.02984 0.00915 -0.06669 -0.02871 -0.05576 91 2PY 0.00274 0.08252 0.11089 0.10597 -0.05544 92 2PZ 0.01183 0.02286 0.01413 0.08711 0.03133 93 3S 1.12426 -0.29523 0.18948 0.13621 0.32555 94 3PX 0.19107 -0.10219 -0.10184 0.51989 0.16865 95 3PY -0.21117 -0.29201 -0.05769 -0.60632 0.18159 96 3PZ -0.16950 -0.03796 0.05781 -0.36449 -0.12827 97 4XX 0.01077 -0.29073 -0.00246 -0.07557 0.10323 98 4YY 0.02386 0.32145 0.22706 -0.05276 -0.18768 99 4ZZ -0.03295 -0.02348 -0.18634 0.16022 0.08939 100 4XY 0.01966 -0.13201 -0.24606 -0.05133 -0.00665 101 4XZ -0.06168 0.21214 -0.09433 0.16606 -0.05254 102 4YZ 0.00774 -0.04121 0.01589 0.30051 -0.03012 103 13 H 1S -0.09065 0.22369 -0.12163 0.12718 -0.08411 104 2S 0.01291 -0.03384 -0.02107 0.28848 0.07776 105 14 H 1S -0.12354 0.25386 0.17361 -0.12582 -0.08073 106 2S -0.13101 -0.00158 -0.06369 0.03166 -0.07937 107 15 C 1S -0.00001 -0.01989 0.01311 0.00000 -0.02276 108 2S -0.00005 -0.21755 0.13180 0.00000 -0.06184 109 2PX 0.00002 0.01859 0.04907 0.00000 -0.00808 110 2PY 0.04606 -0.00001 0.00001 0.10171 -0.00009 111 2PZ 0.00001 -0.00154 -0.00205 0.00001 -0.03364 112 3S 0.00014 0.82893 -0.80699 -0.00004 0.47160 113 3PX -0.00016 -0.40517 0.51723 -0.00001 0.37604 114 3PY 0.19163 0.00001 0.00000 -0.04648 0.00006 115 3PZ 0.00003 -0.04788 -0.11639 0.00002 -0.39628 116 4XX 0.00003 0.08979 0.10207 -0.00001 0.28115 117 4YY -0.00010 -0.16320 -0.01011 0.00000 -0.30416 118 4ZZ 0.00007 0.09537 -0.09598 0.00001 0.02595 119 4XY -0.05584 0.00000 0.00000 0.17054 -0.00013 120 4XZ 0.00005 0.10470 -0.11033 0.00001 -0.07875 121 4YZ -0.10770 -0.00001 0.00001 0.09283 -0.00014 122 16 C 1S 0.00836 0.01014 -0.00140 -0.01407 -0.00144 123 2S 0.12272 0.02839 0.13493 -0.13280 0.21209 124 2PX -0.01880 0.08753 -0.07033 0.06276 0.12017 125 2PY 0.18554 0.00137 -0.00913 0.04397 -0.02243 126 2PZ -0.02107 0.05396 -0.04876 -0.02394 0.07418 127 3S 0.22167 0.10130 -0.25677 0.61355 0.17096 128 3PX -0.07277 -0.01352 0.06500 0.08219 -0.17729 129 3PY 0.80605 -0.07337 -0.04009 -0.01494 -0.29297 130 3PZ 0.63149 0.06618 -0.25067 0.35300 -0.34319 131 4XX -0.00748 0.04192 -0.13788 -0.01666 -0.10768 132 4YY 0.04546 0.02450 0.08137 0.04682 0.10560 133 4ZZ -0.03312 -0.02736 0.00725 0.00810 -0.01200 134 4XY -0.27387 -0.03967 -0.00620 0.03129 0.09390 135 4XZ -0.17039 -0.17970 0.14890 -0.05914 -0.22154 136 4YZ -0.05624 -0.13122 0.22142 -0.02813 0.22493 137 17 C 1S -0.00835 0.01015 -0.00140 0.01407 -0.00144 138 2S -0.12259 0.02848 0.13479 0.13280 0.21227 139 2PX 0.01884 0.08752 -0.07031 -0.06277 0.12018 140 2PY 0.18558 -0.00136 0.00912 0.04398 0.02238 141 2PZ 0.02118 0.05398 -0.04877 0.02394 0.07424 142 3S -0.22185 0.10083 -0.25622 -0.61360 0.17064 143 3PX 0.07278 -0.01358 0.06503 -0.08218 -0.17724 144 3PY 0.80602 0.07356 0.04001 -0.01497 0.29302 145 3PZ -0.63155 0.06594 -0.25056 -0.35300 -0.34333 146 4XX 0.00740 0.04190 -0.13785 0.01664 -0.10772 147 4YY -0.04537 0.02448 0.08139 -0.04680 0.10568 148 4ZZ 0.03308 -0.02734 0.00722 -0.00811 -0.01202 149 4XY -0.27377 0.03967 0.00617 0.03130 -0.09382 150 4XZ 0.17032 -0.17966 0.14890 0.05916 -0.22159 151 4YZ -0.05613 0.13122 -0.22141 -0.02813 -0.22493 152 18 H 1S 0.00000 -0.05452 -0.13320 0.00002 -0.38122 153 2S 0.00005 0.06028 -0.06773 0.00001 -0.19217 154 19 H 1S 0.36632 0.12208 -0.22657 -0.01832 -0.25844 155 2S 0.35130 -0.04393 0.01576 0.05865 -0.19267 156 20 H 1S -0.36619 0.12203 -0.22659 0.01833 -0.25840 157 2S -0.35133 -0.04400 0.01575 -0.05862 -0.19271 158 21 H 1S -0.00008 -0.16417 0.21645 0.00000 0.02315 159 2S -0.00001 -0.10703 0.17348 -0.00001 0.12479 160 22 O 1S 0.01509 0.01040 -0.01790 -0.01371 -0.01442 161 2S -0.01770 0.26946 -0.24327 0.03275 0.28878 162 2PX 0.00859 -0.05239 0.06137 0.03563 -0.05768 163 2PY 0.21165 -0.03257 0.02561 -0.07796 -0.09282 164 2PZ -0.05551 -0.00193 -0.07256 0.09253 -0.13629 165 3S -0.17669 -0.76046 0.83043 0.28149 -0.27729 166 3PX -0.05450 0.15224 -0.20870 -0.15379 -0.06854 167 3PY -0.29768 0.19139 -0.27806 0.07129 0.02813 168 3PZ 0.14156 -0.01391 0.20876 -0.18125 0.27688 169 4XX -0.07844 0.05576 -0.05247 -0.00784 -0.03675 170 4YY 0.44203 0.11094 -0.10644 -0.08149 0.07368 171 4ZZ -0.29937 -0.01675 0.01187 0.03833 0.05521 172 4XY 0.24534 -0.00653 0.11418 0.05763 0.15915 173 4XZ -0.17129 -0.00810 -0.07732 0.04301 -0.21473 174 4YZ 0.12678 0.06808 -0.13221 0.02460 -0.12430 175 23 O 1S -0.01508 0.01040 -0.01790 0.01371 -0.01442 176 2S 0.01774 0.26954 -0.24335 -0.03278 0.28892 177 2PX -0.00859 -0.05240 0.06137 -0.03563 -0.05760 178 2PY 0.21167 0.03260 -0.02562 -0.07796 0.09293 179 2PZ 0.05554 -0.00192 -0.07257 -0.09253 -0.13620 180 3S 0.17656 -0.76071 0.83069 -0.28140 -0.27746 181 3PX 0.05457 0.15231 -0.20878 0.15379 -0.06860 182 3PY -0.29774 -0.19146 0.27810 0.07130 -0.02823 183 3PZ -0.14160 -0.01391 0.20875 0.18124 0.27677 184 4XX 0.07844 0.05577 -0.05248 0.00785 -0.03672 185 4YY -0.44202 0.11094 -0.10648 0.08148 0.07366 186 4ZZ 0.29939 -0.01672 0.01188 -0.03833 0.05524 187 4XY 0.24535 0.00654 -0.11416 0.05765 -0.15926 188 4XZ 0.17125 -0.00807 -0.07735 -0.04300 -0.21478 189 4YZ 0.12667 -0.06806 0.13220 0.02460 0.12419 141 142 143 144 145 V V V V V Eigenvalues -- 1.97828 1.98101 2.00055 2.01934 2.04153 1 1 C 1S -0.02151 -0.02662 -0.01445 -0.00220 -0.00018 2 2S -0.23859 -0.16783 -0.71186 0.00376 -0.31325 3 2PX -0.03036 0.00146 0.05447 0.04533 -0.01654 4 2PY -0.04204 0.00717 -0.15615 -0.01470 -0.08954 5 2PZ 0.06274 0.13300 0.08255 0.04341 -0.02916 6 3S 0.68763 0.79036 1.44892 -0.11510 0.58228 7 3PX 0.14357 0.12909 -0.01419 -0.00468 -0.12285 8 3PY -0.17927 0.01272 0.63486 -0.17948 0.64208 9 3PZ -0.21774 -0.48555 -0.12681 -0.17845 0.01637 10 4XX 0.01851 0.16020 0.02138 -0.03457 0.00191 11 4YY 0.19456 0.07950 -0.15618 0.05917 -0.07031 12 4ZZ -0.19241 -0.24203 0.14201 -0.05458 0.11659 13 4XY -0.04001 0.02357 -0.10286 0.07685 0.00360 14 4XZ -0.01605 -0.02141 0.03515 0.07351 -0.00912 15 4YZ -0.13698 -0.27093 -0.05085 -0.06656 -0.00922 16 2 H 1S -0.26406 -0.12284 0.07289 -0.05721 0.14411 17 2S -0.08710 -0.06588 0.06729 -0.07662 0.16278 18 3 C 1S 0.00022 0.00209 0.01314 -0.00286 0.01246 19 2S -0.16096 -0.21515 0.04726 -0.06072 0.08252 20 2PX -0.04442 -0.07407 -0.00713 -0.02302 0.00570 21 2PY -0.09793 -0.07816 0.11698 0.01891 0.06557 22 2PZ -0.04518 -0.07261 0.05055 0.02862 0.03877 23 3S 0.33680 0.17434 -0.65711 0.06181 -0.45314 24 3PX -0.01696 -0.05733 -0.13785 0.11177 -0.18111 25 3PY 0.36118 0.36640 -0.05225 0.05187 -0.10216 26 3PZ 0.00093 -0.00087 -0.09381 0.08029 -0.20301 27 4XX 0.05142 0.02342 0.08291 0.06096 0.03494 28 4YY -0.05681 -0.07709 -0.10636 -0.08426 -0.02089 29 4ZZ 0.00903 0.04690 0.05051 0.04565 0.01064 30 4XY 0.10524 0.12013 -0.24313 -0.02803 -0.08032 31 4XZ 0.09906 0.08203 -0.08648 0.00278 -0.14103 32 4YZ 0.01816 -0.05057 -0.32313 -0.08074 -0.12345 33 4 H 1S -0.09403 -0.06125 0.30271 0.06091 0.13017 34 2S 0.06000 0.04621 -0.07926 0.02748 -0.10678 35 5 C 1S -0.00022 -0.00209 0.01314 -0.00286 0.01246 36 2S 0.16099 0.21516 0.04716 -0.06067 0.08249 37 2PX 0.04443 0.07407 -0.00716 -0.02301 0.00569 38 2PY -0.09800 -0.07818 -0.11696 -0.01892 -0.06556 39 2PZ 0.04519 0.07262 0.05051 0.02863 0.03877 40 3S -0.33696 -0.17435 -0.65692 0.06163 -0.45299 41 3PX 0.01701 0.05734 -0.13782 0.11172 -0.18108 42 3PY 0.36124 0.36643 0.05211 -0.05178 0.10213 43 3PZ -0.00087 0.00087 -0.09375 0.08022 -0.20295 44 4XX -0.05133 -0.02340 0.08292 0.06096 0.03494 45 4YY 0.05671 0.07707 -0.10642 -0.08425 -0.02091 46 4ZZ -0.00903 -0.04691 0.05055 0.04564 0.01067 47 4XY 0.10540 0.12016 0.24310 0.02804 0.08032 48 4XZ -0.09902 -0.08202 -0.08644 0.00277 -0.14102 49 4YZ 0.01834 -0.05052 0.32314 0.08073 0.12346 50 6 H 1S 0.09417 0.06128 0.30269 0.06091 0.13016 51 2S -0.06000 -0.04622 -0.07922 0.02745 -0.10676 52 7 C 1S 0.02152 0.02662 -0.01446 -0.00220 -0.00018 53 2S 0.23840 0.16774 -0.71189 0.00376 -0.31323 54 2PX 0.03043 -0.00146 0.05448 0.04533 -0.01653 55 2PY -0.04193 0.00720 0.15614 0.01470 0.08953 56 2PZ -0.06270 -0.13301 0.08259 0.04339 -0.02915 57 3S -0.68758 -0.79026 1.44909 -0.11509 0.58225 58 3PX -0.14373 -0.12910 -0.01418 -0.00472 -0.12282 59 3PY -0.17945 0.01267 -0.63482 0.17941 -0.64202 60 3PZ 0.21767 0.48562 -0.12697 -0.17838 0.01632 61 4XX -0.01853 -0.16023 0.02141 -0.03458 0.00192 62 4YY -0.19457 -0.07950 -0.15616 0.05916 -0.07030 63 4ZZ 0.19242 0.24206 0.14196 -0.05454 0.11656 64 4XY -0.03992 0.02362 0.10288 -0.07685 -0.00361 65 4XZ 0.01612 0.02142 0.03515 0.07351 -0.00911 66 4YZ -0.13698 -0.27096 0.05092 0.06653 0.00924 67 8 H 1S 0.26409 0.12285 0.07285 -0.05718 0.14409 68 2S 0.08714 0.06587 0.06727 -0.07660 0.16276 69 9 C 1S -0.01738 -0.02162 0.01875 -0.00580 0.00656 70 2S 0.02821 0.18006 0.10120 -0.02107 -0.13081 71 2PX -0.01997 -0.00649 0.00917 -0.03792 0.01753 72 2PY -0.03315 -0.02672 0.06327 -0.02088 0.02120 73 2PZ -0.08086 -0.14840 0.05700 -0.00183 0.07400 74 3S 0.33153 0.10391 -0.61347 0.16371 -0.07782 75 3PX -0.11917 -0.39755 0.03440 -0.06080 0.12359 76 3PY 0.28535 0.08556 -0.01302 0.01491 -0.08630 77 3PZ 0.16276 0.40485 0.17282 -0.07522 0.00402 78 4XX -0.01580 0.06764 -0.03374 0.02145 -0.05619 79 4YY 0.04706 0.07082 -0.00798 -0.03807 0.05072 80 4ZZ -0.03826 -0.17027 0.06970 0.01606 0.03153 81 4XY -0.17633 -0.22088 0.05202 0.10331 -0.03685 82 4XZ -0.08620 -0.20898 0.01152 -0.03186 0.00565 83 4YZ -0.08532 0.00745 0.10391 -0.04283 0.13133 84 10 H 1S -0.08069 -0.17155 0.05729 -0.08967 0.07370 85 2S -0.01707 -0.12349 0.03640 0.02508 0.02164 86 11 H 1S -0.00185 0.01248 0.10616 0.03091 0.01864 87 2S -0.01463 0.11398 0.02942 0.04780 -0.10354 88 12 C 1S 0.01738 0.02163 0.01875 -0.00580 0.00655 89 2S -0.02822 -0.18005 0.10128 -0.02112 -0.13077 90 2PX 0.01995 0.00650 0.00917 -0.03792 0.01754 91 2PY -0.03320 -0.02673 -0.06326 0.02088 -0.02120 92 2PZ 0.08089 0.14841 0.05695 -0.00180 0.07398 93 3S -0.33147 -0.10406 -0.61347 0.16369 -0.07784 94 3PX 0.11927 0.39753 0.03433 -0.06071 0.12351 95 3PY 0.28545 0.08554 0.01300 -0.01489 0.08629 96 3PZ -0.16282 -0.40484 0.17293 -0.07528 0.00408 97 4XX 0.01582 -0.06772 -0.03372 0.02145 -0.05619 98 4YY -0.04716 -0.07078 -0.00795 -0.03809 0.05074 99 4ZZ 0.03834 0.17032 0.06963 0.01608 0.03150 100 4XY -0.17633 -0.22088 -0.05196 -0.10335 0.03687 101 4XZ 0.08621 0.20901 0.01146 -0.03184 0.00564 102 4YZ -0.08538 0.00741 -0.10392 0.04283 -0.13133 103 13 H 1S 0.08069 0.17161 0.05726 -0.08965 0.07369 104 2S 0.01711 0.12348 0.03638 0.02510 0.02162 105 14 H 1S 0.00182 -0.01244 0.10616 0.03091 0.01865 106 2S 0.01459 -0.11396 0.02943 0.04778 -0.10351 107 15 C 1S 0.00000 0.00000 0.03157 -0.02233 -0.03146 108 2S -0.00002 0.00001 0.08923 0.02850 -0.02683 109 2PX 0.00000 0.00000 0.09475 -0.04578 -0.12529 110 2PY 0.30018 -0.16809 -0.00001 0.00001 0.00001 111 2PZ 0.00001 0.00001 0.03836 -0.15600 -0.01716 112 3S 0.00006 -0.00008 -0.97411 0.81998 0.86545 113 3PX 0.00005 -0.00006 0.03290 0.54392 -0.39744 114 3PY -0.17213 0.13385 0.00000 0.00000 -0.00001 115 3PZ -0.00007 0.00006 0.15089 -0.47385 0.46261 116 4XX 0.00006 -0.00004 -0.04317 0.31201 -0.24922 117 4YY -0.00009 0.00004 0.15816 -0.06822 -0.06613 118 4ZZ 0.00003 0.00000 -0.12921 -0.19956 0.34030 119 4XY 0.40402 -0.30897 -0.00002 0.00001 0.00001 120 4XZ 0.00001 0.00001 0.11033 -0.11713 -0.35828 121 4YZ 0.42260 -0.28619 -0.00001 0.00001 -0.00001 122 16 C 1S 0.01270 0.01708 0.00851 0.00490 0.00219 123 2S 0.42806 0.28662 -0.04403 0.16437 0.30800 124 2PX -0.00508 -0.12708 -0.12069 -0.04872 -0.03453 125 2PY 0.05045 -0.03769 -0.09397 0.20064 0.19550 126 2PZ 0.08723 -0.01757 -0.04843 0.05645 -0.01698 127 3S -1.12154 -1.19336 -0.52574 -0.20885 -0.08224 128 3PX 0.04198 0.26052 0.27742 0.15638 0.01682 129 3PY -0.20568 0.00101 0.39444 -0.09565 -0.43756 130 3PZ -0.30242 -0.17945 0.07147 0.09184 -0.23692 131 4XX -0.08613 -0.08396 -0.09489 0.33040 0.02753 132 4YY 0.08017 -0.05177 0.18170 -0.35615 -0.29908 133 4ZZ 0.00652 0.07464 -0.14926 0.05707 0.28454 134 4XY -0.12872 -0.00972 -0.07249 -0.12458 0.02121 135 4XZ -0.08776 0.09326 0.23353 0.06514 0.17952 136 4YZ 0.01915 0.02423 -0.11115 -0.25487 0.18332 137 17 C 1S -0.01270 -0.01708 0.00852 0.00490 0.00219 138 2S -0.42799 -0.28670 -0.04393 0.16434 0.30796 139 2PX 0.00514 0.12706 -0.12070 -0.04872 -0.03453 140 2PY 0.05049 -0.03768 0.09397 -0.20063 -0.19550 141 2PZ -0.08719 0.01755 -0.04842 0.05643 -0.01700 142 3S 1.12166 1.19341 -0.52604 -0.20894 -0.08199 143 3PX -0.04207 -0.26050 0.27748 0.15631 0.01695 144 3PY -0.20558 0.00096 -0.39445 0.09577 0.43746 145 3PZ 0.30225 0.17952 0.07150 0.09178 -0.23682 146 4XX 0.08604 0.08396 -0.09491 0.33042 0.02754 147 4YY -0.08006 0.05177 0.18170 -0.35618 -0.29906 148 4ZZ -0.00655 -0.07465 -0.14924 0.05708 0.28452 149 4XY -0.12878 -0.00972 0.07251 0.12456 -0.02123 150 4XZ 0.08763 -0.09323 0.23351 0.06517 0.17952 151 4YZ 0.01905 0.02426 0.11115 0.25485 -0.18334 152 18 H 1S -0.00006 0.00006 0.16959 -0.50492 0.10639 153 2S -0.00003 0.00003 0.13291 -0.24574 0.04505 154 19 H 1S 0.09299 0.07903 0.16512 0.28143 -0.27922 155 2S -0.05247 0.06897 0.21030 -0.03560 -0.09289 156 20 H 1S -0.09310 -0.07900 0.16517 0.28139 -0.27922 157 2S 0.05238 -0.06893 0.21033 -0.03563 -0.09286 158 21 H 1S 0.00000 -0.00001 0.21946 0.19807 -0.60080 159 2S 0.00003 -0.00002 0.00904 0.03183 -0.13671 160 22 O 1S -0.00967 0.01964 -0.00312 0.02233 0.00280 161 2S 0.28445 0.07876 -0.39981 0.05202 0.17500 162 2PX 0.12370 -0.16454 0.06294 0.24735 0.05501 163 2PY -0.17037 0.14220 0.06941 -0.00234 -0.03523 164 2PZ 0.14443 -0.08521 0.01799 0.08260 0.12266 165 3S -0.48775 -0.49587 0.83483 -0.45876 -0.38144 166 3PX -0.02897 0.37054 -0.07087 -0.42599 -0.07649 167 3PY 0.19671 -0.08124 -0.17942 0.20345 0.08815 168 3PZ -0.14716 0.14906 0.01029 -0.01439 -0.29285 169 4XX 0.05583 -0.08358 0.01646 -0.09495 0.10450 170 4YY -0.00120 0.19254 -0.13298 -0.01317 0.09056 171 4ZZ 0.04090 -0.03251 -0.04837 0.18373 -0.14723 172 4XY 0.19313 -0.03293 -0.06284 0.26867 -0.02641 173 4XZ -0.04401 0.11255 0.08639 0.02845 -0.01765 174 4YZ 0.15083 -0.08935 -0.06443 -0.06544 0.22762 175 23 O 1S 0.00967 -0.01964 -0.00312 0.02233 0.00280 176 2S -0.28432 -0.07880 -0.39978 0.05204 0.17497 177 2PX -0.12376 0.16452 0.06295 0.24735 0.05501 178 2PY -0.17032 0.14218 -0.06941 0.00235 0.03522 179 2PZ -0.14451 0.08523 0.01800 0.08259 0.12266 180 3S 0.48766 0.49592 0.83477 -0.45881 -0.38130 181 3PX 0.02900 -0.37048 -0.07086 -0.42598 -0.07650 182 3PY 0.19671 -0.08121 0.17943 -0.20349 -0.08811 183 3PZ 0.14731 -0.14912 0.01029 -0.01438 -0.29288 184 4XX -0.05583 0.08360 0.01646 -0.09493 0.10448 185 4YY 0.00123 -0.19254 -0.13296 -0.01320 0.09057 186 4ZZ -0.04089 0.03247 -0.04838 0.18375 -0.14724 187 4XY 0.19309 -0.03286 0.06280 -0.26864 0.02642 188 4XZ 0.04392 -0.11251 0.08640 0.02844 -0.01765 189 4YZ 0.15088 -0.08939 0.06442 0.06545 -0.22761 146 147 148 149 150 V V V V V Eigenvalues -- 2.08886 2.12026 2.14078 2.16026 2.23003 1 1 C 1S -0.00633 -0.00566 -0.00625 0.00598 0.00035 2 2S -0.02723 -0.18573 0.02853 -0.13024 -0.16863 3 2PX 0.11306 -0.10392 0.02679 -0.00505 0.01183 4 2PY 0.01543 0.04340 0.03285 -0.07835 -0.03844 5 2PZ 0.21730 -0.01083 0.02865 -0.00456 -0.02013 6 3S -0.13369 0.69392 0.20493 -0.00783 0.26120 7 3PX 0.16409 0.42054 -0.44397 0.05101 -0.04371 8 3PY -0.18486 0.14820 0.35729 0.25460 0.29810 9 3PZ -0.09379 -0.06950 0.07534 -0.06411 0.18476 10 4XX 0.19728 0.22896 0.08148 0.02954 0.14367 11 4YY -0.02398 -0.09728 -0.17620 0.06556 -0.14393 12 4ZZ -0.20312 -0.06134 0.12691 -0.07141 0.00856 13 4XY 0.04168 0.27308 -0.16238 0.11495 -0.06968 14 4XZ 0.10191 -0.19414 -0.08339 0.06172 0.02308 15 4YZ -0.09039 0.06868 0.09298 -0.05965 0.00265 16 2 H 1S 0.01150 0.04462 0.16795 0.02348 0.12648 17 2S -0.10638 -0.06179 0.15004 0.08995 0.03816 18 3 C 1S -0.02420 0.00766 0.00693 0.00308 -0.00494 19 2S -0.50740 0.37206 -0.10834 0.03804 0.03632 20 2PX -0.05221 0.14153 -0.00792 0.00351 -0.00803 21 2PY -0.16455 0.05261 -0.06221 0.02741 0.07309 22 2PZ -0.06289 0.11546 -0.02161 0.00763 -0.03312 23 3S 0.61329 -0.94781 -0.34976 -0.08859 -0.28828 24 3PX 0.36110 -0.37269 -0.04506 -0.05142 0.09223 25 3PY 0.22670 -0.32658 0.19188 -0.08907 -0.22259 26 3PZ 0.36945 -0.32227 -0.14572 0.00143 -0.13513 27 4XX -0.07828 0.04207 0.05223 -0.01340 0.09929 28 4YY 0.24063 0.11405 0.18220 -0.03661 0.03312 29 4ZZ -0.22856 -0.11392 -0.25478 0.06670 -0.18354 30 4XY -0.17198 0.08372 -0.04904 -0.05176 0.09607 31 4XZ 0.21394 -0.18800 -0.15471 0.01367 0.06060 32 4YZ -0.07715 -0.08035 0.00165 -0.06109 -0.18848 33 4 H 1S 0.09188 0.09758 0.14129 0.02354 0.04703 34 2S 0.12206 -0.14747 -0.03595 -0.01551 -0.05373 35 5 C 1S -0.02420 -0.00766 0.00692 0.00308 0.00494 36 2S -0.50744 -0.37208 -0.10834 0.03805 -0.03633 37 2PX -0.05222 -0.14153 -0.00789 0.00352 0.00803 38 2PY 0.16455 0.05263 0.06221 -0.02741 0.07309 39 2PZ -0.06289 -0.11547 -0.02159 0.00764 0.03312 40 3S 0.61352 0.94788 -0.34948 -0.08851 0.28832 41 3PX 0.36119 0.37273 -0.04499 -0.05138 -0.09221 42 3PY -0.22679 -0.32661 -0.19195 0.08905 -0.22257 43 3PZ 0.36953 0.32228 -0.14561 0.00147 0.13512 44 4XX -0.07827 -0.04205 0.05222 -0.01338 -0.09926 45 4YY 0.24062 -0.11404 0.18221 -0.03661 -0.03312 46 4ZZ -0.22856 0.11389 -0.25477 0.06669 0.18352 47 4XY 0.17200 0.08371 0.04904 0.05175 0.09607 48 4XZ 0.21395 0.18802 -0.15473 0.01367 -0.06058 49 4YZ 0.07715 -0.08037 -0.00163 0.06110 -0.18850 50 6 H 1S 0.09189 -0.09759 0.14130 0.02355 -0.04705 51 2S 0.12209 0.14748 -0.03591 -0.01550 0.05374 52 7 C 1S -0.00632 0.00567 -0.00624 0.00598 -0.00035 53 2S -0.02718 0.18580 0.02860 -0.13022 0.16866 54 2PX 0.11307 0.10393 0.02679 -0.00505 -0.01183 55 2PY -0.01545 0.04340 -0.03287 0.07835 -0.03844 56 2PZ 0.21731 0.01083 0.02865 -0.00456 0.02013 57 3S -0.13388 -0.69418 0.20465 -0.00794 -0.26127 58 3PX 0.16409 -0.42063 -0.44389 0.05104 0.04371 59 3PY 0.18496 0.14824 -0.35709 -0.25453 0.29813 60 3PZ -0.09378 0.06954 0.07530 -0.06413 -0.18474 61 4XX 0.19726 -0.22895 0.08150 0.02955 -0.14366 62 4YY -0.02399 0.09726 -0.17619 0.06556 0.14393 63 4ZZ -0.20311 0.06136 0.12688 -0.07142 -0.00858 64 4XY -0.04167 0.27310 0.16232 -0.11497 -0.06966 65 4XZ 0.10192 0.19416 -0.08340 0.06171 -0.02307 66 4YZ 0.09040 0.06866 -0.09300 0.05966 0.00264 67 8 H 1S 0.01149 -0.04460 0.16793 0.02348 -0.12648 68 2S -0.10639 0.06180 0.15000 0.08993 -0.03816 69 9 C 1S -0.00785 -0.01015 0.01557 -0.01196 0.00441 70 2S 0.42784 -0.26072 -0.19501 -0.04757 0.11225 71 2PX -0.01450 0.00898 0.02611 -0.02388 0.03448 72 2PY 0.12059 -0.03425 -0.08259 0.03282 0.02765 73 2PZ -0.09789 0.05366 0.09489 0.00051 -0.00942 74 3S -0.16565 0.44307 -0.12718 0.24000 -0.51146 75 3PX 0.06182 -0.09169 0.57248 -0.00602 -0.04624 76 3PY -0.21711 0.15920 0.09745 -0.15013 -0.11233 77 3PZ 0.33241 -0.00004 -0.17786 0.01134 0.03807 78 4XX 0.41135 0.14026 0.15268 0.01600 -0.12103 79 4YY -0.21647 -0.07213 0.17046 -0.06510 0.01466 80 4ZZ -0.24204 -0.03006 -0.24560 0.02937 0.07157 81 4XY -0.00410 0.13826 -0.42666 0.10137 -0.10140 82 4XZ 0.03473 0.05562 0.17124 -0.01730 0.12109 83 4YZ -0.15244 -0.13874 0.07734 0.04740 0.00653 84 10 H 1S -0.10272 -0.12162 0.36383 -0.08067 0.12620 85 2S -0.02391 0.01779 0.17086 -0.01624 -0.05191 86 11 H 1S -0.21116 -0.04519 -0.40566 0.05338 0.05601 87 2S -0.06036 -0.05248 0.02629 -0.15332 0.00818 88 12 C 1S -0.00785 0.01015 0.01557 -0.01196 -0.00441 89 2S 0.42788 0.26068 -0.19504 -0.04759 -0.11223 90 2PX -0.01450 -0.00898 0.02611 -0.02388 -0.03448 91 2PY -0.12058 -0.03423 0.08259 -0.03281 0.02765 92 2PZ -0.09790 -0.05366 0.09488 0.00050 0.00941 93 3S -0.16568 -0.44299 -0.12693 0.24015 0.51145 94 3PX 0.06184 0.09174 0.57244 -0.00605 0.04621 95 3PY 0.21712 0.15919 -0.09751 0.15009 -0.11233 96 3PZ 0.33240 -0.00002 -0.17786 0.01132 -0.03807 97 4XX 0.41135 -0.14028 0.15271 0.01600 0.12101 98 4YY -0.21648 0.07216 0.17045 -0.06510 -0.01466 99 4ZZ -0.24203 0.03005 -0.24561 0.02936 -0.07156 100 4XY 0.00408 0.13830 0.42662 -0.10137 -0.10142 101 4XZ 0.03476 -0.05560 0.17129 -0.01730 -0.12110 102 4YZ 0.15245 -0.13875 -0.07730 -0.04739 0.00654 103 13 H 1S -0.10270 0.12166 0.36380 -0.08068 -0.12621 104 2S -0.02390 -0.01778 0.17085 -0.01624 0.05190 105 14 H 1S -0.21117 0.04516 -0.40567 0.05336 -0.05599 106 2S -0.06036 0.05248 0.02628 -0.15332 -0.00817 107 15 C 1S 0.00183 0.00000 -0.00350 -0.02379 0.00000 108 2S -0.06290 0.00000 0.11976 -0.54500 0.00001 109 2PX 0.01967 -0.00001 -0.08077 0.08790 0.00000 110 2PY 0.00000 0.09728 0.00000 0.00000 0.02679 111 2PZ 0.00601 0.00000 -0.03124 0.05956 0.00000 112 3S 0.19779 -0.00001 -0.19569 0.89068 -0.00002 113 3PX -0.36895 0.00005 0.56903 -0.79259 0.00002 114 3PY -0.00001 -0.07220 0.00001 0.00001 0.03449 115 3PZ 0.29252 -0.00005 -0.40613 -0.46934 0.00001 116 4XX -0.07064 0.00000 0.01312 -0.36946 -0.00001 117 4YY 0.05372 0.00000 0.04606 0.32829 -0.00002 118 4ZZ 0.04953 0.00000 -0.10233 0.04526 0.00003 119 4XY 0.00000 0.05166 -0.00001 -0.00002 -0.49483 120 4XZ -0.07205 0.00002 0.17830 0.59133 -0.00003 121 4YZ 0.00000 0.11383 0.00000 0.00000 0.43081 122 16 C 1S 0.00262 0.00051 0.00366 0.02932 0.00930 123 2S 0.02987 0.33160 0.22632 0.49977 0.01264 124 2PX -0.07173 -0.14985 -0.01855 0.01350 -0.02870 125 2PY -0.00546 0.00772 0.11523 0.20759 -0.07006 126 2PZ -0.04591 0.02240 0.03356 0.07235 -0.00157 127 3S -0.18287 -1.23116 -0.07086 -0.52697 -0.67563 128 3PX 0.23748 0.15673 -0.08256 -0.35602 -0.19397 129 3PY 0.15429 -0.12860 -0.30631 -0.47254 -0.42287 130 3PZ 0.20142 -0.63319 -0.20099 -0.41027 -0.26971 131 4XX 0.01380 -0.06106 0.04962 -0.15240 0.09885 132 4YY -0.04339 0.01530 -0.10283 -0.22314 -0.06332 133 4ZZ 0.02226 -0.09778 0.03578 0.42249 -0.03401 134 4XY -0.05166 -0.05829 0.05415 0.03084 -0.19514 135 4XZ 0.02480 0.41791 -0.01179 -0.16812 -0.07779 136 4YZ -0.04540 0.00705 0.01940 0.00845 0.34119 137 17 C 1S 0.00262 -0.00051 0.00365 0.02931 -0.00930 138 2S 0.02981 -0.33160 0.22630 0.49978 -0.01270 139 2PX -0.07172 0.14985 -0.01857 0.01350 0.02870 140 2PY 0.00547 0.00769 -0.11524 -0.20760 -0.07004 141 2PZ -0.04592 -0.02239 0.03355 0.07234 0.00157 142 3S -0.18266 1.23129 -0.07066 -0.52695 0.67571 143 3PX 0.23747 -0.15680 -0.08250 -0.35597 0.19398 144 3PY -0.15435 -0.12852 0.30621 0.47255 -0.42291 145 3PZ 0.20150 0.63319 -0.20093 -0.41028 0.26975 146 4XX 0.01382 0.06108 0.04963 -0.15240 -0.09886 147 4YY -0.04340 -0.01534 -0.10283 -0.22314 0.06331 148 4ZZ 0.02226 0.09782 0.03576 0.42249 0.03404 149 4XY 0.05165 -0.05829 -0.05415 -0.03085 -0.19516 150 4XZ 0.02480 -0.41794 -0.01176 -0.16810 0.07779 151 4YZ 0.04541 0.00705 -0.01940 -0.00847 0.34122 152 18 H 1S 0.11021 -0.00001 -0.08833 0.37319 -0.00001 153 2S 0.14949 -0.00003 -0.26591 0.05096 0.00000 154 19 H 1S 0.09731 -0.04056 -0.07772 -0.13493 -0.14469 155 2S 0.15447 -0.04285 -0.09070 -0.18536 -0.08834 156 20 H 1S 0.09731 0.04053 -0.07771 -0.13494 0.14471 157 2S 0.15448 0.04281 -0.09068 -0.18536 0.08835 158 21 H 1S -0.18733 0.00003 0.31819 0.05193 -0.00001 159 2S -0.11877 0.00002 0.06778 0.04154 0.00001 160 22 O 1S 0.00837 -0.00358 -0.00123 0.01024 0.00640 161 2S 0.02687 0.40713 -0.09696 -0.16465 0.09709 162 2PX 0.02092 -0.12342 0.01876 -0.10020 -0.04279 163 2PY -0.00415 -0.11665 0.03723 0.13021 -0.01719 164 2PZ 0.04371 -0.05940 -0.05896 -0.07381 0.06378 165 3S -0.25902 -0.82559 0.30435 0.11210 -0.36434 166 3PX 0.03706 0.33802 -0.15675 -0.05177 0.24598 167 3PY 0.11330 0.20437 -0.14588 -0.09995 0.13453 168 3PZ -0.12547 0.09418 0.17312 -0.12465 -0.17440 169 4XX 0.13457 0.00340 -0.09066 -0.21691 0.11213 170 4YY 0.02506 0.08768 -0.06098 0.01718 0.00470 171 4ZZ -0.12140 0.04408 0.11895 0.19817 -0.08567 172 4XY -0.09775 0.02205 0.15986 -0.00482 -0.29768 173 4XZ 0.04802 -0.06938 -0.03869 0.05661 0.05801 174 4YZ 0.09318 0.01357 -0.10205 -0.01175 0.24751 175 23 O 1S 0.00837 0.00358 -0.00123 0.01024 -0.00640 176 2S 0.02685 -0.40713 -0.09695 -0.16464 -0.09707 177 2PX 0.02093 0.12342 0.01875 -0.10020 0.04279 178 2PY 0.00415 -0.11666 -0.03722 -0.13020 -0.01718 179 2PZ 0.04371 0.05938 -0.05897 -0.07381 -0.06377 180 3S -0.25893 0.82558 0.30438 0.11212 0.36429 181 3PX 0.03702 -0.33802 -0.15674 -0.05177 -0.24595 182 3PY -0.11329 0.20440 0.14588 0.09995 0.13452 183 3PZ -0.12548 -0.09413 0.17313 -0.12465 0.17440 184 4XX 0.13457 -0.00345 -0.09067 -0.21692 -0.11216 185 4YY 0.02505 -0.08768 -0.06098 0.01718 -0.00470 186 4ZZ -0.12140 -0.04403 0.11896 0.19818 0.08571 187 4XY 0.09775 0.02202 -0.15986 0.00482 -0.29769 188 4XZ 0.04802 0.06938 -0.03871 0.05660 -0.05801 189 4YZ -0.09317 0.01358 0.10203 0.01174 0.24751 151 152 153 154 155 V V V V V Eigenvalues -- 2.25489 2.26209 2.27979 2.29194 2.30952 1 1 C 1S -0.00560 0.02998 -0.00758 -0.00583 0.01778 2 2S -0.15826 0.63323 -0.02542 -0.15015 0.21072 3 2PX -0.02930 0.06872 0.00083 -0.06029 0.14279 4 2PY -0.01438 0.11308 0.00627 0.00783 -0.01614 5 2PZ -0.04409 0.04546 -0.00841 -0.01431 0.14965 6 3S 0.43714 -2.75364 0.11611 1.10793 -1.61107 7 3PX 0.19239 0.53729 0.00323 0.18784 -0.05099 8 3PY -0.15425 -1.82848 0.18203 0.50944 -0.87282 9 3PZ -0.23957 -0.43049 -0.01495 -0.01473 -0.25109 10 4XX -0.18988 -0.06249 -0.12189 -0.13267 0.09664 11 4YY 0.33470 0.21223 -0.07725 0.03790 -0.09349 12 4ZZ -0.11979 -0.24592 0.19508 0.14506 -0.08883 13 4XY 0.27588 0.29438 -0.03629 0.05675 -0.13900 14 4XZ 0.10746 0.20821 -0.09804 -0.04938 0.20240 15 4YZ -0.11973 -0.14939 -0.08307 -0.22447 -0.12076 16 2 H 1S -0.24486 -0.21662 0.06781 0.00616 0.01340 17 2S -0.10037 -0.41302 0.06054 0.08708 -0.18110 18 3 C 1S 0.00532 -0.02236 0.00026 0.01261 -0.02775 19 2S 0.29609 -0.28905 -0.03835 0.17026 -0.54354 20 2PX 0.06240 0.02095 -0.01865 -0.03328 -0.11280 21 2PY 0.06911 0.02381 -0.03762 -0.04663 0.05127 22 2PZ 0.07948 -0.02830 0.01422 0.04477 -0.11653 23 3S -0.32231 3.01794 -0.05347 -1.29157 2.45245 24 3PX -0.23239 0.87844 -0.07218 -0.80786 1.07193 25 3PY -0.03529 1.00973 0.01024 -0.62415 0.85872 26 3PZ -0.03678 1.37556 -0.03884 -0.43996 0.91921 27 4XX -0.14080 -0.20838 -0.13524 -0.32780 0.16225 28 4YY -0.15649 0.06705 0.10500 -0.06418 -0.03660 29 4ZZ 0.28946 0.20369 0.00921 0.34038 -0.12948 30 4XY 0.02787 0.01954 0.03285 -0.34215 0.02176 31 4XZ -0.10429 0.02003 -0.02588 -0.00221 0.17984 32 4YZ -0.08151 -0.06012 -0.05720 0.30650 -0.22920 33 4 H 1S 0.03574 0.08576 0.01518 -0.16556 0.11656 34 2S -0.05426 0.44707 -0.03298 -0.25781 0.33549 35 5 C 1S 0.00534 0.02235 0.00027 -0.01261 0.02774 36 2S 0.29632 0.28881 -0.03830 -0.17031 0.54336 37 2PX 0.06239 -0.02100 -0.01865 0.03326 0.11277 38 2PY -0.06909 0.02388 0.03764 -0.04659 0.05138 39 2PZ 0.07950 0.02824 0.01424 -0.04476 0.11656 40 3S -0.32457 -3.01776 -0.05374 1.29159 -2.45210 41 3PX -0.23308 -0.87829 -0.07245 0.80784 -1.07184 42 3PY 0.03602 1.00974 -0.01008 -0.62420 0.85870 43 3PZ -0.03781 -1.37549 -0.03893 0.43993 -0.91900 44 4XX -0.14066 0.20843 -0.13540 0.32771 -0.16257 45 4YY -0.15653 -0.06689 0.10498 0.06425 0.03680 46 4ZZ 0.28933 -0.20390 0.00939 -0.34036 0.12956 47 4XY -0.02785 0.01956 -0.03274 -0.34217 0.02173 48 4XZ -0.10431 -0.01999 -0.02587 0.00219 -0.17977 49 4YZ 0.08143 -0.06016 0.05709 0.30655 -0.22908 50 6 H 1S 0.03567 -0.08576 0.01510 0.16557 -0.11657 51 2S -0.05458 -0.44704 -0.03305 0.25780 -0.33546 52 7 C 1S -0.00563 -0.02998 -0.00757 0.00583 -0.01778 53 2S -0.15874 -0.63315 -0.02543 0.15015 -0.21066 54 2PX -0.02935 -0.06869 0.00082 0.06030 -0.14275 55 2PY 0.01447 0.11307 -0.00628 0.00783 -0.01616 56 2PZ -0.04413 -0.04542 -0.00843 0.01432 -0.14963 57 3S 0.43927 2.75345 0.11633 -1.10793 1.61076 58 3PX 0.19202 -0.53750 0.00334 -0.18783 0.05105 59 3PY 0.15291 -1.82864 -0.18208 0.50936 -0.87265 60 3PZ -0.23923 0.43059 -0.01501 0.01475 0.25104 61 4XX -0.18987 0.06261 -0.12197 0.13260 -0.09691 62 4YY 0.33458 -0.21248 -0.07720 -0.03792 0.09349 63 4ZZ -0.11961 0.24605 0.19513 -0.14496 0.08909 64 4XY -0.27567 0.29459 0.03624 0.05676 -0.13899 65 4XZ 0.10731 -0.20829 -0.09804 0.04932 -0.20255 66 4YZ 0.11962 -0.14947 0.08316 -0.22442 -0.12055 67 8 H 1S -0.24474 0.21681 0.06778 -0.00612 -0.01336 68 2S -0.10006 0.41309 0.06054 -0.08705 0.18102 69 9 C 1S -0.00905 -0.04519 -0.00305 0.00479 0.00357 70 2S -0.01634 -0.23802 -0.13708 0.32457 0.38984 71 2PX 0.04401 -0.02998 -0.02821 0.03932 0.02856 72 2PY -0.02302 0.00249 0.01273 0.05414 0.02517 73 2PZ -0.00960 -0.12387 0.05879 -0.04395 -0.13825 74 3S 0.07936 2.46497 0.15424 -0.95133 -0.09688 75 3PX -0.00329 -0.42823 0.12929 -0.40291 -0.46797 76 3PY 0.03194 0.59325 -0.02647 -0.00697 -0.10942 77 3PZ -0.13620 -0.41307 -0.03963 0.34834 -0.10764 78 4XX 0.18282 0.12495 -0.03201 -0.22146 -0.14647 79 4YY -0.02475 0.09679 -0.04725 0.13077 0.09719 80 4ZZ -0.18490 -0.22741 0.11104 0.00539 -0.02670 81 4XY -0.12595 0.41854 -0.00474 -0.10470 0.03562 82 4XZ 0.45735 0.18520 -0.21518 -0.01880 0.21801 83 4YZ 0.10102 -0.11230 -0.04541 -0.03130 -0.12421 84 10 H 1S 0.26782 -0.19105 -0.11799 0.03173 0.08329 85 2S -0.02700 -0.06585 0.08283 -0.08530 -0.11630 86 11 H 1S -0.26118 -0.06700 0.05998 0.20442 0.07150 87 2S 0.12458 0.01778 -0.17069 0.13567 0.21280 88 12 C 1S -0.00901 0.04519 -0.00305 -0.00479 -0.00357 89 2S -0.01621 0.23802 -0.13698 -0.32460 -0.38972 90 2PX 0.04403 0.02995 -0.02819 -0.03933 -0.02857 91 2PY 0.02303 0.00246 -0.01275 0.05413 0.02512 92 2PZ -0.00950 0.12390 0.05876 0.04397 0.13824 93 3S 0.07763 -2.46506 0.15406 0.95137 0.09686 94 3PX -0.00291 0.42827 0.12908 0.40298 0.46803 95 3PY -0.03155 0.59325 0.02643 -0.00695 -0.10942 96 3PZ -0.13588 0.41320 -0.03953 -0.34835 0.10760 97 4XX 0.18274 -0.12503 -0.03208 0.22144 0.14649 98 4YY -0.02483 -0.09678 -0.04720 -0.13079 -0.09731 99 4ZZ -0.18474 0.22751 0.11102 -0.00533 0.02677 100 4XY 0.12622 0.41850 0.00476 -0.10469 0.03572 101 4XZ 0.45722 -0.18553 -0.21518 0.01870 -0.21808 102 4YZ -0.10110 -0.11223 0.04540 -0.03128 -0.12415 103 13 H 1S 0.26795 0.19088 -0.11799 -0.03178 -0.08331 104 2S -0.02694 0.06588 0.08278 0.08534 0.11637 105 14 H 1S -0.26115 0.06715 0.06005 -0.20440 -0.07155 106 2S 0.12454 -0.01786 -0.17063 -0.13574 -0.21278 107 15 C 1S -0.00309 0.00000 -0.01733 0.00000 0.00000 108 2S -0.02666 0.00000 -0.22517 -0.00003 0.00006 109 2PX -0.01467 0.00000 -0.00262 0.00000 -0.00002 110 2PY -0.00001 -0.02985 0.00000 0.02848 -0.00318 111 2PZ -0.00716 0.00000 -0.00543 0.00000 -0.00001 112 3S 0.14891 -0.00002 0.59227 0.00009 -0.00007 113 3PX -0.09985 0.00003 -0.38669 -0.00005 0.00008 114 3PY 0.00000 0.00444 0.00002 -0.05826 -0.00048 115 3PZ 0.03642 -0.00003 -0.23900 -0.00004 0.00000 116 4XX 0.05884 -0.00003 0.22137 0.00004 -0.00005 117 4YY 0.02504 -0.00001 0.17267 0.00002 -0.00002 118 4ZZ -0.08656 0.00003 -0.39398 -0.00006 0.00007 119 4XY -0.00005 -0.12287 0.00000 -0.11998 0.17983 120 4XZ 0.07868 -0.00001 0.33316 0.00005 -0.00002 121 4YZ 0.00006 0.11199 -0.00001 0.20543 -0.11475 122 16 C 1S 0.00917 -0.00585 0.01446 -0.00437 -0.03589 123 2S 0.06296 -0.06667 0.41271 -0.33267 -0.81780 124 2PX 0.03253 0.02038 0.01624 -0.05087 -0.11574 125 2PY -0.01060 -0.02197 0.15946 0.00251 0.05837 126 2PZ 0.00222 0.04093 0.03545 -0.10884 -0.22816 127 3S -0.24796 0.57963 -0.42773 0.88547 3.33590 128 3PX -0.02468 -0.12355 -0.08109 0.32875 0.96779 129 3PY 0.10534 0.24293 -0.23433 0.65597 1.54100 130 3PZ -0.16624 0.03304 -0.40222 0.37841 1.83937 131 4XX 0.08642 0.02560 0.32991 0.17207 0.14955 132 4YY 0.02601 -0.01453 -0.20866 -0.01941 0.02521 133 4ZZ -0.10207 0.01319 -0.14987 -0.10853 -0.07800 134 4XY -0.03452 -0.03338 -0.04772 -0.01956 0.00101 135 4XZ 0.00386 -0.14638 -0.16196 0.20575 0.20422 136 4YZ 0.08986 0.07200 0.14658 0.02115 -0.06555 137 17 C 1S 0.00918 0.00585 0.01445 0.00437 0.03589 138 2S 0.06307 0.06668 0.41255 0.33281 0.81775 139 2PX 0.03254 -0.02041 0.01622 0.05087 0.11574 140 2PY 0.01059 -0.02199 -0.15947 0.00246 0.05839 141 2PZ 0.00221 -0.04093 0.03540 0.10885 0.22817 142 3S -0.24865 -0.57952 -0.42720 -0.88559 -3.33579 143 3PX -0.02467 0.12357 -0.08091 -0.32876 -0.96771 144 3PY -0.10504 0.24304 0.23402 0.65607 1.54105 145 3PZ -0.16643 -0.03296 -0.40202 -0.37849 -1.83920 146 4XX 0.08639 -0.02564 0.32998 -0.17196 -0.14964 147 4YY 0.02603 0.01449 -0.20865 0.01933 -0.02518 148 4ZZ -0.10208 -0.01311 -0.14992 0.10848 0.07806 149 4XY 0.03448 -0.03341 0.04773 -0.01953 0.00102 150 4XZ 0.00392 0.14638 -0.16189 -0.20579 -0.20415 151 4YZ -0.08979 0.07206 -0.14657 0.02110 -0.06552 152 18 H 1S 0.00459 0.00000 -0.01893 -0.00001 0.00001 153 2S 0.02731 -0.00002 0.07709 0.00001 -0.00003 154 19 H 1S -0.00905 -0.01754 -0.00124 0.06393 0.22714 155 2S -0.01767 -0.05217 -0.15359 0.23151 0.60854 156 20 H 1S -0.00904 0.01754 -0.00120 -0.06393 -0.22715 157 2S -0.01769 0.05217 -0.15349 -0.23155 -0.60849 158 21 H 1S 0.04284 -0.00001 0.21645 0.00004 -0.00003 159 2S -0.10818 0.00004 -0.07879 -0.00001 0.00003 160 22 O 1S -0.00067 0.00383 0.01180 -0.01386 -0.02467 161 2S -0.02169 -0.11107 -0.11445 0.16133 -0.08524 162 2PX -0.01404 0.03733 0.00233 -0.11126 -0.07195 163 2PY 0.00742 0.03276 0.05180 -0.05839 -0.06711 164 2PZ 0.00960 0.02409 -0.05033 -0.03611 -0.09262 165 3S 0.11271 0.14777 0.07772 0.08804 1.26597 166 3PX -0.04709 -0.03944 -0.20895 0.15671 -0.32658 167 3PY 0.01692 -0.08051 0.02028 -0.01627 -0.15815 168 3PZ -0.04908 -0.03892 0.01852 -0.01345 0.02179 169 4XX 0.15633 0.05807 0.44473 -0.02995 -0.07595 170 4YY -0.03050 -0.00521 -0.04891 0.04231 -0.07280 171 4ZZ -0.13813 -0.06463 -0.35877 -0.02549 0.06386 172 4XY -0.02984 -0.06678 -0.09996 -0.11037 0.03993 173 4XZ -0.03573 0.02339 -0.13987 -0.11879 -0.32505 174 4YZ -0.01263 0.07509 0.01358 0.13114 -0.08707 175 23 O 1S -0.00067 -0.00383 0.01179 0.01386 0.02467 176 2S -0.02162 0.11108 -0.11441 -0.16136 0.08531 177 2PX -0.01405 -0.03732 0.00229 0.11126 0.07196 178 2PY -0.00741 0.03277 -0.05178 -0.05841 -0.06710 179 2PZ 0.00959 -0.02411 -0.05035 0.03609 0.09263 180 3S 0.11252 -0.14785 0.07784 -0.08804 -1.26613 181 3PX -0.04705 0.03945 -0.20892 -0.15678 0.32663 182 3PY -0.01698 -0.08050 -0.02026 -0.01629 -0.15819 183 3PZ -0.04904 0.03896 0.01852 0.01347 -0.02176 184 4XX 0.15628 -0.05816 0.44471 0.03010 0.07584 185 4YY -0.03049 0.00522 -0.04891 -0.04234 0.07280 186 4ZZ -0.13807 0.06472 -0.35876 0.02538 -0.06373 187 4XY 0.02978 -0.06681 0.09999 -0.11034 0.03985 188 4XZ -0.03571 -0.02337 -0.13991 0.11873 0.32507 189 4YZ 0.01270 0.07509 -0.01359 0.13113 -0.08703 156 157 158 159 160 V V V V V Eigenvalues -- 2.31852 2.37118 2.40149 2.43436 2.44805 1 1 C 1S -0.01281 -0.00979 0.01349 -0.05963 -0.02179 2 2S -0.11678 -0.49783 -0.39276 -1.20418 -0.07026 3 2PX -0.04360 -0.06014 -0.08592 0.02537 0.00566 4 2PY -0.03138 -0.14152 -0.11417 -0.20250 0.02966 5 2PZ -0.01816 -0.05724 -0.20378 0.13352 0.04831 6 3S 0.56987 0.59568 0.54891 3.64656 0.74118 7 3PX -0.12489 0.09668 0.11148 0.00992 -0.10960 8 3PY 0.33282 0.76892 0.42729 1.91381 0.19127 9 3PZ 0.10543 -0.00653 -0.15163 0.47522 0.09049 10 4XX 0.39086 0.17617 -0.12070 0.05182 -0.24899 11 4YY -0.00088 -0.20300 0.13967 0.05686 0.20939 12 4ZZ -0.38188 0.08508 0.12896 0.08255 0.04086 13 4XY -0.03390 -0.06831 0.11109 0.02397 -0.08473 14 4XZ 0.19130 -0.00724 -0.08939 0.23893 0.05610 15 4YZ 0.31897 -0.21505 -0.07707 0.14039 0.09794 16 2 H 1S -0.02987 0.21470 -0.02752 0.01709 -0.15374 17 2S 0.11511 0.17109 0.11847 0.36953 0.05358 18 3 C 1S 0.01657 0.00560 0.00279 -0.03284 0.01143 19 2S 0.20354 0.04860 0.02203 -0.20624 0.07336 20 2PX 0.04265 -0.07414 0.03294 -0.12599 0.00414 21 2PY 0.14733 0.04611 -0.07467 0.16081 -0.02589 22 2PZ -0.05285 -0.04201 0.00971 -0.08322 0.00892 23 3S -0.48601 -1.15384 -0.53247 -0.60638 -0.42837 24 3PX -0.10885 -0.29313 -0.32119 -0.39657 -0.15393 25 3PY -0.08602 -0.70976 -0.16999 0.16550 0.10117 26 3PZ -0.24496 -0.28102 -0.35990 -0.42489 -0.10799 27 4XX 0.43989 -0.02139 -0.22366 -0.14445 -0.07956 28 4YY -0.22131 -0.03278 -0.03921 0.25328 0.08734 29 4ZZ -0.16267 -0.02005 0.27730 -0.13154 -0.01170 30 4XY -0.06898 -0.17710 0.44811 -0.15889 -0.02531 31 4XZ -0.12281 0.08316 0.11300 0.29254 -0.14700 32 4YZ 0.15351 -0.04227 -0.19956 0.12959 -0.06973 33 4 H 1S 0.02363 -0.00503 -0.18311 -0.13582 0.10928 34 2S -0.04894 -0.19341 -0.09154 -0.02041 -0.03244 35 5 C 1S 0.01658 -0.00560 -0.00279 0.03283 0.01143 36 2S 0.20390 -0.04861 -0.02206 0.20623 0.07330 37 2PX 0.04272 0.07414 -0.03296 0.12601 0.00411 38 2PY -0.14731 0.04611 -0.07467 0.16080 0.02586 39 2PZ -0.05278 0.04202 -0.00972 0.08324 0.00890 40 3S -0.48772 1.15393 0.53254 0.60674 -0.42849 41 3PX -0.10954 0.29316 0.32120 0.39671 -0.15400 42 3PY 0.08662 -0.70977 -0.17000 0.16557 -0.10119 43 3PZ -0.24559 0.28103 0.35991 0.42499 -0.10807 44 4XX 0.43983 0.02138 0.22364 0.14449 -0.07957 45 4YY -0.22126 0.03277 0.03922 -0.25336 0.08737 46 4ZZ -0.16266 0.02006 -0.27729 0.13156 -0.01171 47 4XY 0.06900 -0.17710 0.44808 -0.15890 0.02536 48 4XZ -0.12294 -0.08313 -0.11296 -0.29238 -0.14695 49 4YZ -0.15367 -0.04228 -0.19955 0.12955 0.06971 50 6 H 1S 0.02357 0.00501 0.18308 0.13572 0.10926 51 2S -0.04916 0.19343 0.09155 0.02044 -0.03244 52 7 C 1S -0.01283 0.00980 -0.01349 0.05966 -0.02180 53 2S -0.11696 0.49788 0.39279 1.20426 -0.07047 54 2PX -0.04368 0.06014 0.08591 -0.02537 0.00566 55 2PY 0.03138 -0.14152 -0.11418 -0.20245 -0.02963 56 2PZ -0.01824 0.05723 0.20376 -0.13356 0.04834 57 3S 0.57115 -0.59592 -0.54910 -3.64737 0.74186 58 3PX -0.12490 -0.09668 -0.11148 -0.00984 -0.10961 59 3PY -0.33354 0.76903 0.42732 1.91402 -0.19162 60 3PZ 0.10568 0.00652 0.15162 -0.47522 0.09057 61 4XX 0.39082 -0.17616 0.12069 -0.05164 -0.24898 62 4YY -0.00083 0.20301 -0.13972 -0.05703 0.20940 63 4ZZ -0.38184 -0.08510 -0.12890 -0.08254 0.04086 64 4XY 0.03381 -0.06831 0.11108 0.02388 0.08475 65 4XZ 0.19117 0.00723 0.08936 -0.23900 0.05615 66 4YZ -0.31909 -0.21503 -0.07700 0.14049 -0.09795 67 8 H 1S -0.02986 -0.21469 0.02758 -0.01695 -0.15374 68 2S 0.11526 -0.17111 -0.11848 -0.36958 0.05365 69 9 C 1S 0.00909 -0.03635 -0.01027 0.08725 0.01613 70 2S -0.14241 -0.30698 -0.04592 0.54258 0.09164 71 2PX 0.00445 -0.07042 0.01120 -0.00273 0.01811 72 2PY -0.05596 0.08802 0.06837 -0.06175 0.01320 73 2PZ 0.02259 0.08778 0.01357 0.13754 0.05307 74 3S -0.08266 0.74638 0.00639 -4.01369 -0.49742 75 3PX -0.06784 0.12544 -0.20003 0.77261 0.05928 76 3PY 0.01944 0.46719 -0.08426 -0.99693 0.07630 77 3PZ 0.13260 -0.51259 -0.12168 1.13506 0.18314 78 4XX 0.00186 -0.41691 -0.31113 0.37295 0.08888 79 4YY 0.18392 0.17459 0.12102 -0.21782 0.05167 80 4ZZ -0.13463 0.23398 0.15834 -0.14888 -0.13685 81 4XY 0.13975 0.32189 0.11032 0.11716 -0.03305 82 4XZ 0.02855 -0.05826 0.08446 0.01652 -0.14423 83 4YZ 0.06193 -0.28830 0.41412 0.14916 -0.03340 84 10 H 1S -0.00836 -0.12734 0.10388 0.23183 -0.01541 85 2S -0.08653 0.28069 -0.05994 0.08831 0.02032 86 11 H 1S 0.09814 0.23933 0.21534 0.05929 -0.02895 87 2S -0.04144 -0.08093 -0.02144 -0.20932 0.13105 88 12 C 1S 0.00909 0.03635 0.01027 -0.08727 0.01614 89 2S -0.14265 0.30698 0.04590 -0.54266 0.09176 90 2PX 0.00443 0.07042 -0.01121 0.00270 0.01811 91 2PY 0.05599 0.08802 0.06837 -0.06172 -0.01319 92 2PZ 0.02270 -0.08778 -0.01357 -0.13757 0.05309 93 3S -0.08288 -0.74627 -0.00629 4.01403 -0.49822 94 3PX -0.06742 -0.12546 0.20004 -0.77260 0.05940 95 3PY -0.01943 0.46718 -0.08425 -0.99685 -0.07611 96 3PZ 0.13277 0.51255 0.12160 -1.13536 0.18337 97 4XX 0.00203 0.41690 0.31111 -0.37303 0.08895 98 4YY 0.18381 -0.17459 -0.12108 0.21777 0.05164 99 4ZZ -0.13462 -0.23396 -0.15826 0.14900 -0.13688 100 4XY -0.13969 0.32188 0.11033 0.11718 0.03303 101 4XZ 0.02836 0.05831 -0.08442 -0.01637 -0.14422 102 4YZ -0.06200 -0.28830 0.41412 0.14910 0.03339 103 13 H 1S -0.00842 0.12734 -0.10387 -0.23176 -0.01537 104 2S -0.08644 -0.28069 0.05996 -0.08828 0.02033 105 14 H 1S 0.09806 -0.23933 -0.21536 -0.05933 -0.02893 106 2S -0.04160 0.08093 0.02144 0.20936 0.13102 107 15 C 1S -0.00227 0.00000 0.00000 0.00000 0.00399 108 2S -0.17392 0.00001 0.00002 0.00005 -0.01074 109 2PX 0.05150 0.00000 -0.00001 -0.00002 0.02967 110 2PY 0.00000 0.00364 0.01965 -0.01621 0.00000 111 2PZ 0.02225 0.00000 0.00000 -0.00001 -0.00176 112 3S 0.19885 -0.00003 0.00000 -0.00002 -0.14546 113 3PX -0.24646 0.00002 0.00002 0.00005 0.04855 114 3PY 0.00000 0.03431 -0.01715 -0.10852 0.00001 115 3PZ 0.02412 0.00000 -0.00001 0.00001 0.23826 116 4XX 0.14745 0.00001 0.00001 0.00016 0.64719 117 4YY 0.08160 0.00000 0.00000 0.00000 0.01947 118 4ZZ -0.19874 -0.00001 -0.00002 -0.00018 -0.64859 119 4XY 0.00006 0.06841 0.09064 0.15314 -0.00001 120 4XZ 0.06360 -0.00001 0.00001 0.00000 -0.10463 121 4YZ -0.00003 -0.12399 -0.08206 -0.03679 0.00001 122 16 C 1S 0.00619 0.02959 0.01474 0.03477 0.00267 123 2S 0.11025 0.67427 0.06291 0.35766 -0.06108 124 2PX -0.00154 0.02426 -0.06266 0.00331 -0.01816 125 2PY 0.04700 -0.04965 -0.03673 -0.07580 0.00736 126 2PZ -0.00434 0.14797 -0.03054 0.01445 -0.01501 127 3S -0.18498 -2.73217 -0.64436 -1.87079 -0.02019 128 3PX -0.07550 -0.45860 0.12457 0.26811 -0.16564 129 3PY -0.06540 -1.25577 -0.13896 -0.59291 -0.04478 130 3PZ -0.14815 -1.20160 -0.05265 -0.40909 0.02875 131 4XX 0.09627 -0.22706 -0.02331 0.08734 -0.28111 132 4YY -0.05329 -0.02311 -0.04605 -0.07939 0.03272 133 4ZZ -0.04815 0.14144 0.06407 -0.03165 0.27040 134 4XY -0.01201 -0.07949 -0.09017 -0.17191 0.04726 135 4XZ -0.07000 -0.02414 0.06027 0.10260 0.02004 136 4YZ 0.05562 0.06447 0.06185 0.15496 0.00579 137 17 C 1S 0.00622 -0.02959 -0.01475 -0.03478 0.00267 138 2S 0.11086 -0.67432 -0.06291 -0.35763 -0.06105 139 2PX -0.00144 -0.02427 0.06266 -0.00334 -0.01816 140 2PY -0.04696 -0.04963 -0.03674 -0.07580 -0.00736 141 2PZ -0.00417 -0.14798 0.03055 -0.01444 -0.01502 142 3S -0.18745 2.73224 0.64440 1.87083 -0.02032 143 3PX -0.07622 0.45858 -0.12457 -0.26816 -0.16554 144 3PY 0.06659 -1.25582 -0.13896 -0.59291 0.04477 145 3PZ -0.14951 1.20157 0.05265 0.40907 0.02878 146 4XX 0.09615 0.22706 0.02333 -0.08741 -0.28110 147 4YY -0.05330 0.02311 0.04603 0.07936 0.03272 148 4ZZ -0.04809 -0.14145 -0.06407 0.03173 0.27039 149 4XY 0.01201 -0.07950 -0.09017 -0.17192 -0.04726 150 4XZ -0.07015 0.02412 -0.06027 -0.10260 0.02007 151 4YZ -0.05566 0.06449 0.06185 0.15495 -0.00581 152 18 H 1S -0.02679 -0.00001 -0.00001 -0.00009 -0.34880 153 2S 0.11113 0.00000 -0.00001 0.00001 0.17210 154 19 H 1S -0.01164 -0.15674 0.01274 0.00695 -0.11116 155 2S -0.03576 -0.40354 0.02552 -0.00623 0.03424 156 20 H 1S -0.01181 0.15676 -0.01273 -0.00698 -0.11115 157 2S -0.03622 0.40353 -0.02553 0.00622 0.03429 158 21 H 1S 0.07228 0.00000 0.00001 0.00010 0.33429 159 2S -0.08975 0.00001 0.00000 -0.00005 -0.28934 160 22 O 1S -0.00068 0.01629 0.00069 -0.01017 -0.01355 161 2S -0.09045 0.07075 0.09539 0.11041 -0.05319 162 2PX -0.00608 0.05278 -0.02072 -0.05448 -0.04965 163 2PY 0.02224 0.02581 -0.02710 -0.03277 0.00404 164 2PZ -0.01243 0.02570 -0.02204 0.01993 0.03778 165 3S 0.17947 -0.84478 -0.19623 -0.22145 0.33829 166 3PX -0.06586 0.13218 0.06449 0.21262 0.13819 167 3PY -0.04575 0.16190 0.07942 0.05655 -0.15494 168 3PZ -0.04346 0.05416 0.06397 -0.05574 -0.23274 169 4XX 0.14986 0.03319 -0.03735 -0.22025 -0.18498 170 4YY 0.01115 0.01463 -0.00468 0.03530 0.04226 171 4ZZ -0.17843 0.02749 0.06707 0.15263 0.07366 172 4XY -0.08717 0.09224 0.03303 0.02667 -0.24486 173 4XZ -0.02565 0.17223 -0.04471 0.16075 0.10051 174 4YZ 0.04782 -0.10952 -0.07851 -0.03254 0.35546 175 23 O 1S -0.00066 -0.01629 -0.00069 0.01017 -0.01356 176 2S -0.09040 -0.07075 -0.09537 -0.11040 -0.05318 177 2PX -0.00603 -0.05279 0.02072 0.05447 -0.04967 178 2PY -0.02228 0.02581 -0.02709 -0.03276 -0.00404 179 2PZ -0.01236 -0.02570 0.02204 -0.01991 0.03778 180 3S 0.17855 0.84481 0.19620 0.22150 0.33832 181 3PX -0.06563 -0.13216 -0.06449 -0.21259 0.13821 182 3PY 0.04563 0.16192 0.07941 0.05656 0.15496 183 3PZ -0.04348 -0.05416 -0.06396 0.05565 -0.23275 184 4XX 0.14992 -0.03320 0.03736 0.22022 -0.18500 185 4YY 0.01119 -0.01462 0.00468 -0.03531 0.04230 186 4ZZ -0.17848 -0.02749 -0.06708 -0.15262 0.07364 187 4XY 0.08719 0.09226 0.03304 0.02678 0.24486 188 4XZ -0.02540 -0.17221 0.04470 -0.16073 0.10053 189 4YZ -0.04787 -0.10952 -0.07852 -0.03270 -0.35547 161 162 163 164 165 V V V V V Eigenvalues -- 2.45142 2.48406 2.52227 2.54540 2.59887 1 1 C 1S -0.05690 -0.01408 0.02278 0.01262 -0.00750 2 2S -0.15258 -0.27708 0.29553 0.67705 -0.01998 3 2PX -0.01061 -0.03310 -0.00374 -0.00824 -0.03729 4 2PY 0.07960 -0.03916 0.06404 0.15936 0.00591 5 2PZ 0.07247 -0.04804 -0.08613 0.03353 -0.02230 6 3S 1.69170 0.51920 -0.92481 -1.33319 0.15550 7 3PX -0.09835 0.08486 -0.32157 0.36641 -0.06639 8 3PY 0.42952 0.12739 -0.48709 -0.98520 0.15571 9 3PZ 0.17022 -0.24184 -0.24936 0.14837 -0.07556 10 4XX -0.37713 0.05333 0.01654 -0.11722 0.03210 11 4YY 0.36741 -0.02820 -0.03793 0.00350 -0.18667 12 4ZZ -0.02261 0.01896 0.00731 -0.07049 0.15722 13 4XY -0.17807 -0.01725 0.06987 -0.04211 0.02853 14 4XZ 0.17541 -0.02675 -0.10178 -0.03914 0.09880 15 4YZ 0.21421 -0.08796 -0.12821 0.10901 -0.05446 16 2 H 1S -0.32145 -0.03194 0.05166 -0.09859 0.11049 17 2S 0.12349 0.03060 -0.11463 -0.25499 0.02790 18 3 C 1S 0.02271 0.00316 0.00731 0.00400 0.00821 19 2S 0.09656 -0.06931 0.30697 0.10915 0.07335 20 2PX -0.01347 -0.02446 0.06986 0.07497 -0.03984 21 2PY -0.00960 0.00229 -0.00281 -0.03052 0.07360 22 2PZ -0.00577 -0.00904 0.05346 0.03737 -0.03020 23 3S -0.80283 -0.16784 -0.41276 0.71764 -0.26760 24 3PX -0.29789 -0.11886 -0.28560 0.31707 -0.12906 25 3PY 0.16706 0.05143 -0.02269 -0.10383 -0.01899 26 3PZ -0.25988 -0.17667 -0.13660 0.37542 -0.06726 27 4XX -0.06699 0.00696 -0.09901 0.04649 -0.02797 28 4YY 0.12683 -0.01311 0.00147 -0.04105 -0.06571 29 4ZZ -0.05646 0.02217 0.01860 -0.00883 0.08422 30 4XY -0.02834 0.08750 -0.08465 0.05401 0.08147 31 4XZ -0.32085 -0.02692 -0.11461 -0.08599 -0.00742 32 4YZ -0.07951 -0.10164 0.01057 0.01104 0.03901 33 4 H 1S 0.19109 0.00537 0.05258 0.03163 -0.03709 34 2S -0.08734 -0.06933 -0.08892 0.07032 -0.00644 35 5 C 1S 0.02273 -0.00316 -0.00731 -0.00400 0.00820 36 2S 0.09667 0.06930 -0.30698 -0.10918 0.07334 37 2PX -0.01342 0.02446 -0.06986 -0.07498 -0.03984 38 2PY 0.00969 0.00228 -0.00280 -0.03051 -0.07361 39 2PZ -0.00573 0.00904 -0.05345 -0.03738 -0.03020 40 3S -0.80251 0.16783 0.41279 -0.71760 -0.26743 41 3PX -0.29766 0.11885 0.28562 -0.31706 -0.12902 42 3PY -0.16699 0.05141 -0.02270 -0.10381 0.01895 43 3PZ -0.25961 0.17667 0.13662 -0.37541 -0.06722 44 4XX -0.06689 -0.00697 0.09900 -0.04649 -0.02799 45 4YY 0.12667 0.01312 -0.00147 0.04105 -0.06568 46 4ZZ -0.05639 -0.02217 -0.01859 0.00883 0.08421 47 4XY 0.02832 0.08750 -0.08465 0.05401 -0.08147 48 4XZ -0.32105 0.02692 0.11462 0.08600 -0.00739 49 4YZ 0.07959 -0.10164 0.01058 0.01104 -0.03903 50 6 H 1S 0.19119 -0.00537 -0.05258 -0.03163 -0.03711 51 2S -0.08731 0.06933 0.08892 -0.07031 -0.00642 52 7 C 1S -0.05687 0.01408 -0.02278 -0.01262 -0.00750 53 2S -0.15187 0.27707 -0.29553 -0.67704 -0.02000 54 2PX -0.01062 0.03309 0.00375 0.00825 -0.03728 55 2PY -0.07974 -0.03916 0.06404 0.15937 -0.00589 56 2PZ 0.07241 0.04803 0.08614 -0.03353 -0.02229 57 3S 1.68968 -0.51921 0.92479 1.33313 0.15542 58 3PX -0.09842 -0.08487 0.32157 -0.36643 -0.06638 59 3PY -0.42842 0.12737 -0.48709 -0.98518 -0.15571 60 3PZ 0.16995 0.24184 0.24934 -0.14842 -0.07554 61 4XX -0.37716 -0.05334 -0.01655 0.11724 0.03211 62 4YY 0.36739 0.02820 0.03794 -0.00353 -0.18669 63 4ZZ -0.02269 -0.01895 -0.00731 0.07049 0.15724 64 4XY 0.17811 -0.01725 0.06986 -0.04212 -0.02856 65 4XZ 0.17533 0.02675 0.10177 0.03913 0.09878 66 4YZ -0.21412 -0.08794 -0.12822 0.10902 0.05444 67 8 H 1S -0.32147 0.03195 -0.05166 0.09861 0.11051 68 2S 0.12327 -0.03060 0.11463 0.25499 0.02791 69 9 C 1S 0.02656 -0.01998 -0.05254 0.00476 0.00355 70 2S 0.16803 -0.23777 -0.42368 0.09464 -0.24060 71 2PX 0.05146 -0.01962 -0.03157 0.04952 -0.03302 72 2PY 0.04573 0.03118 0.05661 -0.04507 -0.03158 73 2PZ 0.07045 0.02881 0.01277 -0.09533 0.10857 74 3S -0.79085 0.74732 2.12528 0.32660 0.06801 75 3PX 0.02879 0.09982 0.48446 -0.90801 0.19645 76 3PY 0.07031 0.27903 0.64335 0.11225 0.08512 77 3PZ 0.54616 -0.24632 -0.90276 0.32741 -0.21682 78 4XX 0.16283 -0.09308 -0.01378 -0.04839 0.08425 79 4YY 0.09036 0.09084 0.18750 -0.10936 0.01265 80 4ZZ -0.25696 0.03806 -0.15181 0.14360 -0.00203 81 4XY 0.03636 0.02004 -0.32910 0.16378 -0.06085 82 4XZ -0.31762 0.09044 0.41025 -0.42635 0.02391 83 4YZ -0.10900 -0.03784 -0.06757 -0.10375 -0.03728 84 10 H 1S -0.13331 0.02092 0.28868 -0.42921 0.03841 85 2S -0.06006 0.07883 0.13405 -0.20596 0.15169 86 11 H 1S 0.07915 -0.01603 -0.46456 0.31642 -0.11704 87 2S -0.05367 -0.09432 0.07190 0.10234 0.06666 88 12 C 1S 0.02651 0.01998 0.05254 -0.00477 0.00355 89 2S 0.16776 0.23777 0.42368 -0.09464 -0.24062 90 2PX 0.05147 0.01961 0.03157 -0.04952 -0.03303 91 2PY -0.04576 0.03118 0.05661 -0.04507 0.03157 92 2PZ 0.07037 -0.02881 -0.01277 0.09532 0.10857 93 3S -0.78870 -0.74731 -2.12527 -0.32656 0.06807 94 3PX 0.02837 -0.09981 -0.48447 0.90801 0.19652 95 3PY -0.07087 0.27903 0.64332 0.11226 -0.08512 96 3PZ 0.54556 0.24632 0.90278 -0.32741 -0.21685 97 4XX 0.16268 0.09308 0.01379 0.04837 0.08425 98 4YY 0.09047 -0.09084 -0.18749 0.10935 0.01264 99 4ZZ -0.25694 -0.03806 0.15179 -0.14358 -0.00202 100 4XY -0.03627 0.02005 -0.32909 0.16377 0.06084 101 4XZ -0.31759 -0.09043 -0.41027 0.42637 0.02392 102 4YZ 0.10912 -0.03785 -0.06759 -0.10374 0.03728 103 13 H 1S -0.13342 -0.02092 -0.28868 0.42921 0.03841 104 2S -0.06011 -0.07882 -0.13406 0.20596 0.15171 105 14 H 1S 0.07907 0.01603 0.46457 -0.31642 -0.11706 106 2S -0.05353 0.09431 -0.07191 -0.10234 0.06663 107 15 C 1S 0.01008 0.00000 0.00000 0.00000 0.07432 108 2S -0.17425 0.00000 -0.00001 0.00001 -0.43883 109 2PX 0.08401 0.00000 0.00000 -0.00001 0.37914 110 2PY -0.00001 -0.08051 0.00677 0.02815 0.00000 111 2PZ 0.05888 -0.00001 0.00000 -0.00001 0.41691 112 3S -0.06421 0.00002 0.00004 0.00004 -2.14715 113 3PX -0.10971 -0.00001 -0.00002 -0.00001 0.79033 114 3PY -0.00003 -0.05014 0.12111 0.02714 0.00000 115 3PZ 0.03787 -0.00001 -0.00001 -0.00001 0.57002 116 4XX -0.36457 0.00000 -0.00002 -0.00001 0.10330 117 4YY 0.01300 0.00000 0.00002 0.00001 0.02710 118 4ZZ 0.41199 0.00000 0.00000 -0.00001 0.04204 119 4XY 0.00005 0.03673 0.16064 0.09174 0.00001 120 4XZ -0.04282 0.00001 0.00001 0.00001 -0.56723 121 4YZ -0.00003 0.00416 -0.31412 -0.17766 -0.00001 122 16 C 1S 0.00844 -0.01126 0.00396 -0.01698 0.03373 123 2S -0.12564 0.51026 0.11137 -0.54545 0.01612 124 2PX 0.03131 0.09573 0.00971 -0.06932 -0.22946 125 2PY -0.02402 0.16253 -0.01946 -0.01110 0.15520 126 2PZ -0.03406 0.09473 0.07575 -0.10291 -0.09642 127 3S -0.04976 -0.01824 -0.83692 1.62154 -0.72243 128 3PX 0.02259 0.66301 -0.75516 -0.05573 -0.40322 129 3PY 0.07899 0.40184 -0.74015 0.67656 -0.21203 130 3PZ 0.01295 -0.27172 -0.74708 0.52587 -0.53825 131 4XX 0.10079 0.29376 0.01487 0.30044 -0.09033 132 4YY 0.04536 0.23432 -0.00390 -0.03084 0.09031 133 4ZZ -0.07404 -0.62802 -0.04072 -0.17397 0.03608 134 4XY -0.03078 0.29747 -0.31632 -0.32437 -0.04151 135 4XZ -0.03645 -0.02303 -0.13611 -0.14575 -0.39502 136 4YZ -0.02682 -0.11499 0.23715 0.26339 0.00602 137 17 C 1S 0.00842 0.01126 -0.00396 0.01698 0.03374 138 2S -0.12591 -0.51023 -0.11135 0.54546 0.01617 139 2PX 0.03132 -0.09572 -0.00971 0.06933 -0.22946 140 2PY 0.02397 0.16252 -0.01946 -0.01110 -0.15517 141 2PZ -0.03408 -0.09472 -0.07575 0.10291 -0.09642 142 3S -0.04849 0.01826 0.83690 -1.62151 -0.72267 143 3PX 0.02242 -0.66303 0.75517 0.05576 -0.40323 144 3PY -0.07940 0.40186 -0.74018 0.67658 0.21219 145 3PZ 0.01326 0.27172 0.74704 -0.52583 -0.53832 146 4XX 0.10074 -0.29377 -0.01485 -0.30043 -0.09033 147 4YY 0.04540 -0.23432 0.00388 0.03082 0.09027 148 4ZZ -0.07402 0.62802 0.04071 0.17399 0.03610 149 4XY 0.03068 0.29748 -0.31633 -0.32437 0.04154 150 4XZ -0.03652 0.02304 0.13609 0.14576 -0.39502 151 4YZ 0.02693 -0.11505 0.23716 0.26338 -0.00599 152 18 H 1S 0.21731 0.00000 0.00001 0.00000 -0.01737 153 2S -0.01175 0.00000 0.00000 -0.00001 0.04503 154 19 H 1S 0.05277 0.23426 -0.20487 0.01230 0.01938 155 2S 0.02930 0.00315 -0.36690 0.13924 -0.19927 156 20 H 1S 0.05278 -0.23429 0.20488 -0.01230 0.01938 157 2S 0.02932 -0.00315 0.36688 -0.13923 -0.19930 158 21 H 1S -0.23067 0.00000 -0.00001 0.00000 0.09796 159 2S 0.09235 0.00000 0.00001 0.00000 0.06392 160 22 O 1S 0.00128 -0.00299 0.02144 -0.00519 -0.06143 161 2S -0.08144 -0.21689 0.01895 0.11450 -0.92386 162 2PX 0.02019 -0.00669 0.06430 -0.05065 -0.01497 163 2PY 0.01420 0.08671 0.00859 -0.02706 0.08664 164 2PZ -0.02181 0.05662 -0.02610 -0.01069 -0.02236 165 3S 0.11813 0.43883 -0.63181 0.06529 3.05689 166 3PX -0.05000 0.10927 -0.04502 0.01808 -0.25867 167 3PY -0.05267 -0.32716 0.19755 0.05738 -1.28065 168 3PZ 0.09354 -0.24639 0.10332 -0.03726 -0.01311 169 4XX 0.02328 -0.38471 -0.11878 -0.26103 -0.22185 170 4YY 0.04388 0.12819 -0.07757 -0.08044 0.37431 171 4ZZ -0.05964 0.21930 0.31316 0.30771 -0.42553 172 4XY 0.10967 0.02719 0.05749 -0.04564 0.09070 173 4XZ -0.00682 0.23569 0.06025 -0.03250 0.31708 174 4YZ -0.20275 0.24649 -0.16030 -0.04153 -0.09763 175 23 O 1S 0.00129 0.00299 -0.02143 0.00519 -0.06143 176 2S -0.08151 0.21691 -0.01894 -0.11446 -0.92386 177 2PX 0.02022 0.00669 -0.06430 0.05065 -0.01497 178 2PY -0.01421 0.08671 0.00859 -0.02706 -0.08664 179 2PZ -0.02183 -0.05662 0.02610 0.01069 -0.02236 180 3S 0.11830 -0.43888 0.63176 -0.06542 3.05688 181 3PX -0.05014 -0.10927 0.04502 -0.01808 -0.25865 182 3PY 0.05270 -0.32718 0.19754 0.05733 1.28065 183 3PZ 0.09358 0.24638 -0.10332 0.03727 -0.01305 184 4XX 0.02342 0.38472 0.11879 0.26104 -0.22185 185 4YY 0.04384 -0.12821 0.07759 0.08044 0.37430 186 4ZZ -0.05973 -0.21928 -0.31318 -0.30771 -0.42553 187 4XY -0.10965 0.02719 0.05748 -0.04565 -0.09070 188 4XZ -0.00693 -0.23570 -0.06025 0.03248 0.31710 189 4YZ 0.20273 0.24650 -0.16027 -0.04151 0.09768 166 167 168 169 170 V V V V V Eigenvalues -- 2.62736 2.64516 2.67572 2.69296 2.69442 1 1 C 1S -0.05661 0.05184 0.01605 -0.00463 -0.00415 2 2S 0.00752 0.62627 0.01389 0.19459 -0.06868 3 2PX -0.18040 0.13248 0.07425 0.14155 0.18602 4 2PY 0.15217 0.03957 -0.04989 0.03523 -0.06821 5 2PZ -0.10565 0.11436 0.06730 0.12093 0.26123 6 3S 1.49209 -3.28214 -0.56535 -0.85306 -0.12638 7 3PX -0.29001 0.49620 0.24062 0.09555 0.61675 8 3PY 0.66643 -1.76841 -0.22635 -0.50954 -0.01963 9 3PZ -0.09896 0.14113 -0.18604 0.10403 0.86581 10 4XX 0.03654 0.08740 -0.19028 -0.30146 -0.21246 11 4YY -0.39040 -0.18179 -0.02128 -0.13785 -0.24527 12 4ZZ 0.29661 0.00317 0.14567 0.34195 0.39742 13 4XY -0.19794 0.21185 0.07131 0.08876 0.43615 14 4XZ 0.63493 -0.23506 -0.05581 -0.08761 -0.03730 15 4YZ -0.18464 0.10318 -0.17754 -0.02643 0.52146 16 2 H 1S 0.20380 0.05724 0.01455 0.06934 0.12377 17 2S 0.03398 -0.33778 -0.13657 -0.13087 -0.05826 18 3 C 1S 0.03649 -0.09125 0.00244 -0.05533 -0.02279 19 2S -0.07582 -0.29583 0.03132 -0.06273 0.08147 20 2PX -0.27686 0.11493 0.01118 0.02865 0.16206 21 2PY 0.27531 0.18512 -0.12239 0.22591 -0.03394 22 2PZ -0.20682 0.07064 0.02517 0.04510 0.16274 23 3S -0.96053 4.83457 -0.18526 2.08705 0.94737 24 3PX -0.41324 1.32189 0.09792 0.44797 0.33595 25 3PY 0.05248 1.45794 -0.45584 0.74529 -0.40603 26 3PZ -0.39078 1.40747 0.32058 0.36623 0.28638 27 4XX -0.07544 -0.19367 -0.09677 -0.37207 0.13106 28 4YY -0.08990 0.44847 -0.24097 0.44466 -0.20970 29 4ZZ 0.16424 -0.23922 0.26497 -0.09792 0.19692 30 4XY 0.31767 0.10287 -0.11050 0.11562 -0.10469 31 4XZ -0.24089 0.46378 0.11101 0.17495 0.39518 32 4YZ 0.24364 0.23611 -0.32443 -0.27889 -0.13736 33 4 H 1S -0.09984 -0.20982 0.07982 -0.00848 -0.11818 34 2S -0.07851 0.56185 -0.02387 0.12842 0.10427 35 5 C 1S 0.03650 0.09125 -0.00244 0.05529 -0.02289 36 2S -0.07578 0.29584 -0.03132 0.06286 0.08137 37 2PX -0.27688 -0.11490 -0.01120 -0.02835 0.16212 38 2PY -0.27525 0.18515 -0.12241 0.22598 0.03355 39 2PZ -0.20683 -0.07062 -0.02518 -0.04481 0.16282 40 3S -0.96111 -4.83443 0.18525 -2.08534 0.95089 41 3PX -0.41339 -1.32182 -0.09793 -0.44735 0.33673 42 3PY -0.05222 1.45803 -0.45580 0.74601 0.40479 43 3PZ -0.39091 -1.40735 -0.32060 -0.36567 0.28702 44 4XX -0.07544 0.19367 0.09677 0.37230 0.13042 45 4YY -0.08996 -0.44849 0.24097 -0.44501 -0.20898 46 4ZZ 0.16430 0.23923 -0.26496 0.09824 0.19677 47 4XY -0.31767 0.10290 -0.11051 0.11580 0.10448 48 4XZ -0.24095 -0.46374 -0.11102 -0.17425 0.39550 49 4YZ -0.24360 0.23611 -0.32441 -0.27866 0.13784 50 6 H 1S -0.09983 0.20982 -0.07984 0.00828 -0.11819 51 2S -0.07857 -0.56183 0.02388 -0.12823 0.10448 52 7 C 1S -0.05661 -0.05184 -0.01606 0.00462 -0.00416 53 2S 0.00746 -0.62626 -0.01389 -0.19471 -0.06835 54 2PX -0.18042 -0.13246 -0.07425 -0.14122 0.18627 55 2PY -0.15215 0.03959 -0.04989 0.03536 0.06814 56 2PZ -0.10567 -0.11435 -0.06729 -0.12047 0.26144 57 3S 1.49236 3.28192 0.56546 0.85272 -0.12784 58 3PX -0.29006 -0.49621 -0.24062 -0.09448 0.61693 59 3PY -0.66657 -1.76829 -0.22641 -0.50943 0.02044 60 3PZ -0.09901 -0.14118 0.18610 -0.10258 0.86599 61 4XX 0.03654 -0.08737 0.19027 0.30111 -0.21302 62 4YY -0.39041 0.18179 0.02122 0.13743 -0.24546 63 4ZZ 0.29663 -0.00319 -0.14563 -0.34128 0.39800 64 4XY 0.19792 0.21183 0.07129 0.08799 -0.43630 65 4XZ 0.63497 0.23501 0.05587 0.08751 -0.03749 66 4YZ 0.18461 0.10316 -0.17757 -0.02731 -0.52143 67 8 H 1S 0.20380 -0.05724 -0.01452 -0.06912 0.12389 68 2S 0.03400 0.33775 0.13657 0.13076 -0.05849 69 9 C 1S 0.02344 -0.02589 0.04806 -0.00100 0.04182 70 2S 0.03977 0.03635 0.01591 -0.28998 -0.04148 71 2PX 0.04956 -0.01444 0.02165 -0.00914 0.06552 72 2PY 0.11854 0.01553 -0.20945 0.01923 0.08278 73 2PZ 0.11418 -0.11241 -0.02052 0.06946 0.18412 74 3S -0.48937 1.44523 -0.83111 0.89234 -0.80790 75 3PX -0.03155 -0.28921 -0.31653 0.25691 0.07064 76 3PY -0.04157 0.42333 -0.69465 0.43193 0.19947 77 3PZ 0.33161 -0.32342 -0.11478 -0.21748 0.46160 78 4XX 0.20402 -0.12010 0.36923 0.12750 0.22676 79 4YY -0.04499 0.07510 -0.65233 0.02198 0.13083 80 4ZZ -0.11242 -0.03886 0.40719 -0.03346 -0.29291 81 4XY 0.00311 -0.01509 -0.08514 -0.16109 -0.07704 82 4XZ 0.00042 -0.04238 0.02755 -0.13537 -0.16245 83 4YZ -0.20614 -0.04400 -0.11844 -0.33126 -0.25374 84 10 H 1S -0.06357 -0.07367 -0.10669 -0.08932 -0.03569 85 2S -0.05817 -0.03254 -0.01702 0.15800 -0.03153 86 11 H 1S -0.02371 -0.01134 -0.07771 -0.16920 -0.03516 87 2S 0.04280 0.05041 0.15065 -0.06233 -0.04626 88 12 C 1S 0.02345 0.02588 -0.04806 0.00107 0.04182 89 2S 0.03980 -0.03637 -0.01591 0.28989 -0.04197 90 2PX 0.04956 0.01443 -0.02165 0.00925 0.06550 91 2PY -0.11853 0.01554 -0.20947 0.01911 -0.08280 92 2PZ 0.11418 0.11241 0.02054 -0.06915 0.18424 93 3S -0.48963 -1.44514 0.83101 -0.89367 -0.80647 94 3PX -0.03161 0.28921 0.31653 -0.25678 0.07107 95 3PY 0.04168 0.42330 -0.69467 0.43157 -0.20018 96 3PZ 0.33166 0.32337 0.11483 0.21824 0.46121 97 4XX 0.20406 0.12008 -0.36920 -0.12713 0.22702 98 4YY -0.04506 -0.07510 0.65234 -0.02173 0.13081 99 4ZZ -0.11238 0.03887 -0.40723 0.03295 -0.29293 100 4XY -0.00314 -0.01509 -0.08512 -0.16096 0.07733 101 4XZ 0.00044 0.04239 -0.02757 0.13509 -0.16265 102 4YZ 0.20613 -0.04402 -0.11836 -0.33085 0.25434 103 13 H 1S -0.06357 0.07368 0.10668 0.08927 -0.03585 104 2S -0.05819 0.03255 0.01701 -0.15804 -0.03125 105 14 H 1S -0.02370 0.01133 0.07771 0.16913 -0.03547 106 2S 0.04282 -0.05040 -0.15066 0.06226 -0.04636 107 15 C 1S -0.01677 0.00000 0.00000 -0.00001 -0.01206 108 2S 0.00903 0.00000 0.00001 -0.00003 -0.01421 109 2PX -0.06137 0.00001 -0.00001 -0.00002 -0.03738 110 2PY 0.00000 0.25153 0.17492 -0.26562 0.00022 111 2PZ -0.08964 0.00001 -0.00001 -0.00005 -0.06557 112 3S 0.59915 -0.00006 0.00005 0.00032 0.41469 113 3PX -0.27669 0.00002 -0.00003 -0.00019 -0.24181 114 3PY 0.00000 0.35150 0.23176 -0.32582 0.00027 115 3PZ -0.12388 0.00002 -0.00001 -0.00003 -0.04751 116 4XX 0.00342 0.00001 0.00000 -0.00003 -0.02283 117 4YY -0.01669 0.00000 0.00000 0.00002 0.00860 118 4ZZ 0.00403 -0.00001 0.00000 0.00003 0.03935 119 4XY 0.00000 -0.26261 -0.17536 0.26205 -0.00022 120 4XZ 0.14429 -0.00002 0.00001 0.00007 0.09207 121 4YZ 0.00000 -0.26588 -0.18261 0.26970 -0.00022 122 16 C 1S -0.00063 -0.03921 -0.02974 0.03024 0.00183 123 2S -0.05831 -0.17738 -0.08307 0.10920 0.00253 124 2PX 0.10501 -0.08488 -0.01833 0.00626 -0.00632 125 2PY -0.02332 0.24129 0.18969 -0.23517 -0.00021 126 2PZ 0.02043 -0.06663 -0.03228 0.03740 -0.02245 127 3S 0.22429 1.67147 1.23711 -1.21586 -0.07686 128 3PX 0.08600 0.03258 0.12141 0.01700 -0.00570 129 3PY -0.04084 0.89123 0.76124 -0.74833 0.05307 130 3PZ 0.09793 0.46079 0.27536 -0.09516 0.01979 131 4XX 0.01280 -0.21784 -0.22602 0.23840 -0.01052 132 4YY -0.00207 0.43712 0.37450 -0.48162 0.00711 133 4ZZ 0.05121 -0.17937 -0.11281 0.16598 -0.00910 134 4XY 0.01044 0.10106 0.03282 0.02060 0.03010 135 4XZ 0.14129 -0.13138 0.01457 -0.02471 0.00820 136 4YZ 0.00165 0.05115 0.13381 -0.15490 0.02687 137 17 C 1S -0.00064 0.03921 0.02974 -0.03024 0.00188 138 2S -0.05834 0.17740 0.08306 -0.10916 0.00272 139 2PX 0.10503 0.08486 0.01834 -0.00627 -0.00631 140 2PY 0.02330 0.24127 0.18969 -0.23517 0.00059 141 2PZ 0.02043 0.06663 0.03229 -0.03744 -0.02239 142 3S 0.22452 -1.67150 -1.23708 1.21569 -0.07894 143 3PX 0.08603 -0.03260 -0.12140 -0.01701 -0.00570 144 3PY 0.04073 0.89128 0.76125 -0.74840 -0.05180 145 3PZ 0.09797 -0.46078 -0.27531 0.09512 0.01959 146 4XX 0.01279 0.21783 0.22603 -0.23842 -0.01014 147 4YY -0.00202 -0.43713 -0.37452 0.48165 0.00633 148 4ZZ 0.05120 0.17938 0.11282 -0.16602 -0.00883 149 4XY -0.01045 0.10106 0.03282 0.02056 -0.03013 150 4XZ 0.14131 0.13136 -0.01455 0.02471 0.00815 151 4YZ -0.00169 0.05111 0.13377 -0.15490 -0.02662 152 18 H 1S -0.00070 0.00000 0.00000 0.00002 0.02310 153 2S 0.02553 0.00000 0.00001 0.00003 0.04219 154 19 H 1S -0.05739 0.00430 -0.07129 0.11222 -0.00949 155 2S 0.02611 0.19608 0.19773 -0.15454 0.06719 156 20 H 1S -0.05740 -0.00431 0.07127 -0.11223 -0.00931 157 2S 0.02613 -0.19609 -0.19772 0.15464 0.06692 158 21 H 1S -0.03127 0.00000 0.00000 -0.00004 -0.05771 159 2S -0.06384 0.00000 0.00000 -0.00003 -0.03421 160 22 O 1S 0.01853 0.02776 0.01419 -0.01326 0.00096 161 2S 0.21346 0.11745 0.06555 -0.19092 0.10076 162 2PX 0.00912 0.04493 0.02454 -0.00808 -0.01143 163 2PY -0.01352 0.02119 0.01434 -0.01862 -0.00595 164 2PZ -0.00171 0.01137 0.01158 -0.01809 0.00428 165 3S -0.78507 -0.39804 -0.19416 0.51073 -0.27569 166 3PX 0.09423 -0.18579 -0.13892 0.10523 -0.02454 167 3PY 0.29174 0.22052 0.11391 -0.21836 0.15040 168 3PZ 0.03319 -0.07098 -0.08063 0.13561 -0.08490 169 4XX 0.04064 0.11734 0.07684 -0.05956 0.04833 170 4YY -0.06715 -0.13534 -0.09238 0.16078 -0.09972 171 4ZZ 0.11393 0.10244 0.04319 -0.08563 0.04319 172 4XY -0.05749 0.05755 0.08122 -0.10481 0.03444 173 4XZ -0.08955 -0.21061 -0.10429 0.09122 0.02058 174 4YZ 0.01677 0.08570 0.06948 -0.09994 0.04012 175 23 O 1S 0.01853 -0.02777 -0.01419 0.01326 0.00094 176 2S 0.21345 -0.11749 -0.06551 0.19105 0.10045 177 2PX 0.00912 -0.04493 -0.02454 0.00806 -0.01144 178 2PY 0.01352 0.02119 0.01435 -0.01862 0.00599 179 2PZ -0.00170 -0.01138 -0.01158 0.01810 0.00426 180 3S -0.78501 0.39819 0.19404 -0.51109 -0.27489 181 3PX 0.09420 0.18578 0.13893 -0.10528 -0.02437 182 3PY -0.29173 0.22057 0.11385 -0.21854 -0.15005 183 3PZ 0.03316 0.07099 0.08063 -0.13575 -0.08468 184 4XX 0.04064 -0.11735 -0.07682 0.05961 0.04824 185 4YY -0.06715 0.13534 0.09235 -0.16089 -0.09945 186 4ZZ 0.11392 -0.10245 -0.04316 0.08567 0.04304 187 4XY 0.05748 0.05754 0.08123 -0.10488 -0.03427 188 4XZ -0.08954 0.21064 0.10429 -0.09121 0.02072 189 4YZ -0.01679 0.08571 0.06948 -0.10002 -0.03996 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76583 2.80385 2.86682 2.87987 1 1 C 1S -0.07983 -0.00422 -0.01699 -0.00218 -0.01091 2 2S -0.83725 -0.03445 -0.48245 -0.16635 -0.07336 3 2PX -0.12906 -0.01676 -0.04247 0.00103 -0.02466 4 2PY 0.01611 0.00267 -0.08057 -0.02809 0.00836 5 2PZ 0.01719 -0.01869 -0.09846 0.04603 -0.02226 6 3S 4.27738 0.16109 1.05803 0.35892 0.44493 7 3PX -0.17251 -0.02312 -0.05184 0.08364 -0.04718 8 3PY 1.92020 0.03046 0.68740 0.18274 0.15632 9 3PZ 0.39723 -0.11349 -0.18542 0.05310 -0.17458 10 4XX -0.23995 0.02712 0.18568 -0.02004 0.03296 11 4YY 0.16939 0.01130 0.00209 0.02498 0.00307 12 4ZZ 0.29035 -0.03079 -0.05351 0.06303 -0.02621 13 4XY -0.19870 -0.03015 0.03045 0.01939 -0.04591 14 4XZ 0.28929 0.00060 -0.04615 0.01700 0.03653 15 4YZ 0.07349 -0.02839 -0.12956 0.04426 -0.04034 16 2 H 1S -0.11619 -0.02565 0.04146 -0.01882 -0.02166 17 2S 0.44608 0.01664 0.11994 0.05352 0.03665 18 3 C 1S 0.03640 0.00323 0.00786 0.00507 0.00694 19 2S 0.29401 0.05992 0.04151 -0.01539 0.13545 20 2PX -0.12047 -0.00292 -0.03304 -0.00522 -0.01194 21 2PY 0.19071 0.00780 0.00849 -0.03252 0.04020 22 2PZ -0.08424 -0.01762 -0.01751 0.00479 -0.02915 23 3S -3.14429 -0.20789 -1.03568 -0.26903 -0.42659 24 3PX -1.22964 -0.08263 -0.40705 -0.03807 -0.19546 25 3PY -0.53577 0.05191 -0.22317 -0.14415 0.04308 26 3PZ -1.31397 -0.02252 -0.38907 -0.03323 -0.09452 27 4XX -0.22859 -0.02247 0.00549 0.01804 -0.04930 28 4YY 0.29280 0.00206 -0.00584 -0.04840 -0.01555 29 4ZZ -0.05828 -0.00934 -0.01541 0.05297 0.00265 30 4XY 0.06456 0.00882 -0.03104 -0.01530 0.02451 31 4XZ -0.34511 -0.03742 -0.02876 0.03101 -0.06116 32 4YZ -0.20035 0.00523 0.01935 -0.04913 0.01943 33 4 H 1S 0.12359 0.02204 -0.01168 0.00242 0.02008 34 2S -0.42533 -0.00038 -0.13490 -0.01610 -0.02758 35 5 C 1S -0.03640 0.00324 -0.00786 -0.00507 0.00694 36 2S -0.29399 0.05996 -0.04151 0.01539 0.13546 37 2PX 0.12047 -0.00294 0.03305 0.00522 -0.01194 38 2PY 0.19070 -0.00781 0.00850 -0.03252 -0.04018 39 2PZ 0.08425 -0.01763 0.01752 -0.00479 -0.02914 40 3S 3.14422 -0.20832 1.03569 0.26904 -0.42661 41 3PX 1.22960 -0.08278 0.40705 0.03807 -0.19544 42 3PY -0.53584 -0.05181 -0.22320 -0.14414 -0.04301 43 3PZ 1.31392 -0.02268 0.38906 0.03322 -0.09450 44 4XX 0.22860 -0.02248 -0.00549 -0.01804 -0.04929 45 4YY -0.29279 0.00208 0.00585 0.04840 -0.01557 46 4ZZ 0.05826 -0.00934 0.01541 -0.05297 0.00266 47 4XY 0.06453 -0.00882 -0.03103 -0.01530 -0.02450 48 4XZ 0.34509 -0.03746 0.02877 -0.03101 -0.06115 49 4YZ -0.20037 -0.00521 0.01936 -0.04912 -0.01942 50 6 H 1S -0.12359 0.02206 0.01168 -0.00243 0.02008 51 2S 0.42532 -0.00043 0.13491 0.01610 -0.02758 52 7 C 1S 0.07983 -0.00423 0.01699 0.00218 -0.01091 53 2S 0.83725 -0.03456 0.48244 0.16635 -0.07336 54 2PX 0.12906 -0.01678 0.04246 -0.00103 -0.02466 55 2PY 0.01610 -0.00267 -0.08057 -0.02809 -0.00836 56 2PZ -0.01719 -0.01869 0.09846 -0.04603 -0.02225 57 3S -4.27728 0.16160 -1.05807 -0.35892 0.44491 58 3PX 0.17256 -0.02313 0.05185 -0.08363 -0.04716 59 3PY 1.92016 -0.03070 0.68742 0.18274 -0.15631 60 3PZ -0.39717 -0.11345 0.18543 -0.05307 -0.17455 61 4XX 0.23992 0.02711 -0.18569 0.02004 0.03296 62 4YY -0.16936 0.01132 -0.00207 -0.02498 0.00307 63 4ZZ -0.29035 -0.03077 0.05350 -0.06302 -0.02621 64 4XY -0.19870 0.03017 0.03045 0.01939 0.04590 65 4XZ -0.28927 0.00064 0.04613 -0.01699 0.03653 66 4YZ 0.07351 0.02838 -0.12956 0.04426 0.04032 67 8 H 1S 0.11617 -0.02566 -0.04147 0.01883 -0.02166 68 2S -0.44607 0.01670 -0.11995 -0.05352 0.03665 69 9 C 1S 0.03528 -0.00446 -0.01176 0.00772 -0.00607 70 2S 0.21514 -0.04675 -0.27632 0.03913 0.02152 71 2PX 0.06092 -0.00922 -0.05050 0.01277 0.01705 72 2PY 0.12114 -0.01050 -0.04004 0.01736 0.00852 73 2PZ 0.20597 -0.00099 0.06665 0.02578 -0.00323 74 3S -2.28236 0.12481 0.19902 -0.33572 0.04039 75 3PX 0.34322 0.03081 0.49668 -0.02472 -0.05178 76 3PY 0.21121 -0.01822 -0.04633 -0.02012 -0.04535 77 3PZ 0.97253 -0.04603 -0.40350 0.15967 0.01731 78 4XX 0.01239 -0.00321 0.06128 0.01236 -0.01490 79 4YY 0.35565 -0.00826 -0.13329 0.04042 -0.02523 80 4ZZ -0.36207 0.01988 0.14072 -0.04836 0.00316 81 4XY -0.04694 0.00770 0.04529 -0.00382 0.02317 82 4XZ -0.17536 -0.00242 0.08618 -0.02022 -0.01351 83 4YZ -0.15789 0.01577 0.03250 -0.01511 0.01011 84 10 H 1S 0.08219 -0.00727 0.06374 0.00164 -0.02116 85 2S 0.07242 0.01788 0.22394 -0.01489 -0.02803 86 11 H 1S 0.09116 0.00552 -0.11178 0.02478 0.02014 87 2S 0.08251 -0.05633 -0.10176 0.00543 0.00217 88 12 C 1S -0.03528 -0.00445 0.01176 -0.00772 -0.00607 89 2S -0.21512 -0.04672 0.27632 -0.03912 0.02152 90 2PX -0.06092 -0.00922 0.05050 -0.01277 0.01706 91 2PY 0.12114 0.01049 -0.04004 0.01736 -0.00853 92 2PZ -0.20597 -0.00096 -0.06665 -0.02578 -0.00322 93 3S 2.28232 0.12453 -0.19900 0.33569 0.04039 94 3PX -0.34319 0.03086 -0.49668 0.02473 -0.05179 95 3PY 0.21126 0.01821 -0.04634 -0.02012 0.04532 96 3PZ -0.97250 -0.04593 0.40348 -0.15966 0.01733 97 4XX -0.01240 -0.00321 -0.06128 -0.01236 -0.01491 98 4YY -0.35564 -0.00823 0.13329 -0.04042 -0.02521 99 4ZZ 0.36206 0.01985 -0.14072 0.04836 0.00314 100 4XY -0.04695 -0.00770 0.04529 -0.00382 -0.02317 101 4XZ 0.17533 -0.00243 -0.08617 0.02021 -0.01352 102 4YZ -0.15792 -0.01576 0.03251 -0.01511 -0.01011 103 13 H 1S -0.08220 -0.00726 -0.06374 -0.00164 -0.02117 104 2S -0.07242 0.01789 -0.22394 0.01489 -0.02804 105 14 H 1S -0.09115 0.00554 0.11178 -0.02477 0.02014 106 2S -0.08253 -0.05632 0.10176 -0.00543 0.00217 107 15 C 1S 0.00000 0.02776 0.00000 0.00000 -0.07868 108 2S 0.00001 -0.01883 -0.00001 0.00000 0.25226 109 2PX 0.00000 0.05947 0.00001 0.00000 -0.29572 110 2PY 0.39065 -0.00006 0.51811 -0.34027 0.00001 111 2PZ 0.00001 0.07571 0.00002 -0.00001 -0.32693 112 3S -0.00002 -0.75751 -0.00006 0.00001 2.15173 113 3PX 0.00000 0.00958 0.00002 0.00001 -0.37835 114 3PY 0.38403 -0.00006 0.28907 -0.32209 0.00001 115 3PZ 0.00000 -0.03171 0.00000 0.00000 -0.35507 116 4XX 0.00002 0.39432 0.00001 -0.00001 -0.35297 117 4YY -0.00004 -0.74231 0.00000 0.00002 0.56648 118 4ZZ 0.00001 0.40231 0.00000 -0.00001 -0.24822 119 4XY -0.35242 0.00004 -0.39865 0.12391 0.00000 120 4XZ 0.00001 0.14335 -0.00001 -0.00001 0.16516 121 4YZ -0.31648 0.00002 -0.32462 0.27953 0.00002 122 16 C 1S 0.02044 0.02612 0.10186 -0.01590 0.02804 123 2S 0.15140 -0.09133 0.64217 0.06167 -0.18668 124 2PX -0.04675 -0.25696 -0.27619 -0.09533 -0.32205 125 2PY 0.13888 0.17851 -0.23348 0.28277 0.08276 126 2PZ -0.05909 -0.16150 -0.03071 -0.07268 -0.22881 127 3S -1.08028 -0.60951 -5.68210 0.43212 -0.97035 128 3PX -0.11858 -0.18942 -0.75594 -0.02153 -0.37024 129 3PY -0.02968 0.16176 -2.30561 0.29617 0.32757 130 3PZ -0.50535 -0.19714 -1.89532 -0.01274 -0.33084 131 4XX -0.21052 -0.03731 0.18622 -0.23081 -0.22113 132 4YY 0.32745 -0.04510 -0.47804 0.55722 0.21561 133 4ZZ -0.03536 0.09110 0.11924 -0.30834 -0.07958 134 4XY 0.04314 0.25620 0.00775 -0.44735 0.13254 135 4XZ -0.00903 -0.18776 -0.42146 -0.10638 -0.37885 136 4YZ 0.05465 0.18871 -0.38968 -0.50464 0.10502 137 17 C 1S -0.02044 0.02612 -0.10186 0.01590 0.02804 138 2S -0.15144 -0.09127 -0.64219 -0.06167 -0.18667 139 2PX 0.04671 -0.25696 0.27619 0.09533 -0.32204 140 2PY 0.13887 -0.17851 -0.23349 0.28277 -0.08275 141 2PZ 0.05908 -0.16150 0.03069 0.07270 -0.22880 142 3S 1.08024 -0.60975 5.68211 -0.43209 -0.97029 143 3PX 0.11857 -0.18946 0.75593 0.02153 -0.37025 144 3PY -0.02975 -0.16171 -2.30568 0.29618 -0.32757 145 3PZ 0.50535 -0.19726 1.89520 0.01276 -0.33084 146 4XX 0.21053 -0.03736 -0.18620 0.23081 -0.22114 147 4YY -0.32746 -0.04505 0.47806 -0.55718 0.21563 148 4ZZ 0.03537 0.09110 -0.11928 0.30829 -0.07958 149 4XY 0.04311 -0.25624 0.00772 -0.44732 -0.13251 150 4XZ 0.00902 -0.18778 0.42145 0.10636 -0.37885 151 4YZ 0.05460 -0.18875 -0.38964 -0.50467 -0.10501 152 18 H 1S -0.00001 -0.07784 0.00000 0.00000 0.00243 153 2S 0.00001 0.16851 0.00000 -0.00001 -0.15174 154 19 H 1S -0.04889 -0.02770 0.25021 0.27603 0.05034 155 2S 0.04042 0.05106 -0.71650 -0.10424 0.01783 156 20 H 1S 0.04889 -0.02773 -0.25019 -0.27602 0.05033 157 2S -0.04040 0.05106 0.71647 0.10423 0.01783 158 21 H 1S -0.00001 -0.09318 0.00000 0.00000 -0.05887 159 2S 0.00001 0.22024 0.00001 -0.00001 -0.15263 160 22 O 1S 0.02198 -0.04854 0.03127 -0.03037 0.00134 161 2S 0.42700 -0.32956 0.85406 -0.04202 0.00669 162 2PX -0.00656 0.00127 -0.05073 -0.02989 0.04386 163 2PY 0.00612 -0.07695 -0.04194 -0.02982 -0.05009 164 2PZ 0.01053 0.00309 -0.01563 -0.02245 0.03258 165 3S -1.35561 1.35429 -2.86311 0.44287 -0.01955 166 3PX 0.11320 -0.25791 0.65469 0.17986 -1.07654 167 3PY 0.45654 -0.17243 0.96868 -0.06289 0.44061 168 3PZ -0.05607 -0.12544 0.17168 0.15463 -0.86879 169 4XX 0.07403 0.23293 -0.02380 0.04086 0.31458 170 4YY -0.17107 -0.51134 -0.23126 -0.15074 -0.30406 171 4ZZ 0.09905 0.06873 0.25496 -0.07249 0.05412 172 4XY 0.11089 -0.11520 -0.06517 -0.43291 0.65006 173 4XZ -0.16062 0.60833 -0.23995 0.17643 0.18687 174 4YZ 0.13732 -0.14051 0.12978 -0.28894 0.54290 175 23 O 1S -0.02198 -0.04853 -0.03128 0.03037 0.00134 176 2S -0.42702 -0.32946 -0.85410 0.04202 0.00668 177 2PX 0.00656 0.00127 0.05073 0.02990 0.04386 178 2PY 0.00613 0.07694 -0.04195 -0.02982 0.05009 179 2PZ -0.01053 0.00310 0.01562 0.02246 0.03258 180 3S 1.35569 1.35396 2.86325 -0.44292 -0.01950 181 3PX -0.11322 -0.25791 -0.65467 -0.17986 -1.07656 182 3PY 0.45651 0.17232 0.96875 -0.06287 -0.44055 183 3PZ 0.05607 -0.12547 -0.17164 -0.15463 -0.86882 184 4XX -0.07399 0.23295 0.02379 -0.04087 0.31457 185 4YY 0.17097 -0.51139 0.23126 0.15082 -0.30401 186 4ZZ -0.09902 0.06877 -0.25496 0.07245 0.05409 187 4XY 0.11091 0.11511 -0.06516 -0.43292 -0.65007 188 4XZ 0.16069 0.60829 0.23998 -0.17649 0.18686 189 4YZ 0.13734 0.14042 0.12982 -0.28895 -0.54292 176 177 178 179 180 V V V V V Eigenvalues -- 2.94455 3.10579 3.13114 4.00618 4.10567 1 1 C 1S -0.00270 -0.00735 0.05161 0.01872 0.02611 2 2S 0.22320 -0.37748 0.10012 -0.25476 -0.58057 3 2PX -0.21130 -0.01228 0.17929 -0.02143 -0.05976 4 2PY 0.14416 -0.05429 -0.05556 -0.00596 -0.00032 5 2PZ -0.24010 -0.02618 0.11046 -0.02749 -0.03782 6 3S 0.36149 0.85222 -1.91482 0.29256 1.23102 7 3PX -0.85897 0.08795 0.11738 -0.05152 0.08998 8 3PY -0.03528 0.47477 -0.86086 0.18183 0.81112 9 3PZ -1.12979 0.03573 -0.21898 -0.07151 0.20533 10 4XX 0.15725 0.07174 -0.09823 0.13841 0.26061 11 4YY 0.04307 0.11071 0.46042 0.10324 0.20082 12 4ZZ -0.17133 -0.02627 -0.34373 0.09652 0.23208 13 4XY -0.39083 0.01010 -0.01686 -0.03129 -0.01395 14 4XZ 0.17254 -0.07758 -0.44738 0.01486 0.08636 15 4YZ -0.46132 0.01152 0.00068 -0.04408 0.00808 16 2 H 1S -0.03108 -0.04429 -0.20523 -0.01768 -0.00165 17 2S -0.00282 0.14010 -0.04760 0.08718 0.23778 18 3 C 1S 0.00100 0.00434 -0.05713 -0.03378 -0.00890 19 2S -0.02737 0.22683 0.08189 0.31083 0.39537 20 2PX -0.17677 0.01771 0.08610 -0.02376 -0.02795 21 2PY 0.40579 -0.01744 0.07882 0.03272 -0.02159 22 2PZ -0.16366 -0.00505 0.04917 -0.03624 -0.03556 23 3S 0.11105 -1.02710 2.10634 -0.18971 -1.45252 24 3PX -0.68048 -0.37052 0.61999 -0.12030 -0.55500 25 3PY 1.46890 -0.34289 0.58825 0.03477 -0.60831 26 3PZ -0.46007 -0.21219 0.71494 -0.05099 -0.45542 27 4XX -0.35288 -0.04143 -0.14032 -0.18801 -0.14988 28 4YY 0.64465 -0.00414 0.38788 -0.14225 -0.22109 29 4ZZ -0.26145 -0.05634 -0.35623 -0.15352 -0.10005 30 4XY 0.27743 -0.13564 -0.55056 0.01526 0.01979 31 4XZ -0.38720 -0.03622 0.02800 -0.03911 -0.07220 32 4YZ 0.31026 -0.08239 -0.45041 0.01224 0.04285 33 4 H 1S 0.00031 0.07471 0.29566 0.03218 -0.00484 34 2S 0.02804 -0.12662 0.07931 -0.03818 -0.21908 35 5 C 1S -0.00100 -0.00434 0.05713 -0.03378 0.00893 36 2S 0.02736 -0.22682 -0.08189 0.31086 -0.39562 37 2PX 0.17678 -0.01771 -0.08609 -0.02376 0.02795 38 2PY 0.40578 -0.01744 0.07884 -0.03272 -0.02159 39 2PZ 0.16367 0.00505 -0.04916 -0.03624 0.03556 40 3S -0.11106 1.02711 -2.10631 -0.18979 1.45246 41 3PX 0.68052 0.37052 -0.61997 -0.12034 0.55500 42 3PY 1.46885 -0.34291 0.58829 -0.03475 -0.60834 43 3PZ 0.46011 0.21217 -0.71490 -0.05102 0.45541 44 4XX 0.35290 0.04143 0.14030 -0.18802 0.15002 45 4YY -0.64467 0.00415 -0.38783 -0.14226 0.22122 46 4ZZ 0.26145 0.05633 0.35620 -0.15353 0.10019 47 4XY 0.27740 -0.13564 -0.55056 -0.01526 0.01979 48 4XZ 0.38721 0.03622 -0.02803 -0.03912 0.07220 49 4YZ 0.31021 -0.08239 -0.45043 -0.01224 0.04285 50 6 H 1S -0.00031 -0.07471 -0.29566 0.03218 0.00482 51 2S -0.02804 0.12662 -0.07931 -0.03819 0.21911 52 7 C 1S 0.00270 0.00735 -0.05161 0.01871 -0.02608 53 2S -0.22320 0.37747 -0.10013 -0.25476 0.58038 54 2PX 0.21130 0.01228 -0.17928 -0.02143 0.05976 55 2PY 0.14414 -0.05429 -0.05555 0.00596 -0.00031 56 2PZ 0.24010 0.02619 -0.11045 -0.02749 0.03782 57 3S -0.36149 -0.85224 1.91478 0.29264 -1.23110 58 3PX 0.85896 -0.08795 -0.11741 -0.05154 -0.08995 59 3PY -0.03534 0.47478 -0.86085 -0.18187 0.81112 60 3PZ 1.12978 -0.03572 0.21895 -0.07153 -0.20531 61 4XX -0.15727 -0.07175 0.09824 0.13841 -0.26051 62 4YY -0.04301 -0.11070 -0.46041 0.10323 -0.20070 63 4ZZ 0.17131 0.02628 0.34372 0.09652 -0.23197 64 4XY -0.39082 0.01009 -0.01689 0.03130 -0.01396 65 4XZ -0.17257 0.07757 0.44736 0.01486 -0.08636 66 4YZ -0.46131 0.01151 0.00063 0.04408 0.00809 67 8 H 1S 0.03108 0.04428 0.20523 -0.01768 0.00163 68 2S 0.00282 -0.14010 0.04759 0.08719 -0.23774 69 9 C 1S -0.00107 -0.00690 -0.03690 0.06645 0.01619 70 2S 0.06637 -0.19562 0.03009 -0.46047 0.06807 71 2PX -0.03442 -0.02769 -0.02564 -0.01902 0.03802 72 2PY -0.12631 0.00895 -0.05809 -0.02751 0.01920 73 2PZ -0.12793 0.05869 -0.14383 0.00924 0.03088 74 3S 0.24494 0.11499 1.19734 -0.20572 -0.86967 75 3PX -0.09374 0.34137 -0.16183 0.12589 0.03447 76 3PY -0.72616 0.15691 0.02052 0.03486 -0.17296 77 3PZ -0.55368 -0.09811 -0.32351 0.00229 0.47706 78 4XX 0.01171 0.01181 -0.20102 0.28855 0.05239 79 4YY -0.36525 0.06426 -0.00091 0.24063 0.00134 80 4ZZ 0.34540 0.00603 0.07848 0.24838 -0.04210 81 4XY 0.04030 0.02396 0.06237 0.00049 0.00708 82 4XZ 0.11560 0.00296 -0.01347 -0.02081 -0.06512 83 4YZ 0.10584 0.03793 0.31210 -0.00151 -0.01850 84 10 H 1S -0.00177 0.03760 -0.01601 -0.02329 -0.01833 85 2S -0.00280 0.13848 -0.07832 0.11737 -0.06005 86 11 H 1S -0.01114 -0.03979 0.04590 -0.01860 0.10071 87 2S 0.00859 -0.10165 -0.09741 -0.03422 -0.14545 88 12 C 1S 0.00107 0.00690 0.03689 0.06645 -0.01616 89 2S -0.06636 0.19563 -0.03009 -0.46044 -0.06827 90 2PX 0.03441 0.02769 0.02563 -0.01902 -0.03802 91 2PY -0.12632 0.00895 -0.05809 0.02751 0.01920 92 2PZ 0.12793 -0.05869 0.14382 0.00924 -0.03088 93 3S -0.24492 -0.11499 -1.19732 -0.20575 0.86957 94 3PX 0.09373 -0.34137 0.16182 0.12588 -0.03446 95 3PY -0.72617 0.15692 0.02051 -0.03485 -0.17295 96 3PZ 0.55365 0.09811 0.32350 0.00230 -0.47707 97 4XX -0.01170 -0.01181 0.20102 0.28854 -0.05226 98 4YY 0.36524 -0.06427 0.00089 0.24061 -0.00122 99 4ZZ -0.34540 -0.00603 -0.07846 0.24837 0.04222 100 4XY 0.04030 0.02396 0.06236 -0.00049 0.00708 101 4XZ -0.11559 -0.00296 0.01349 -0.02081 0.06512 102 4YZ 0.10587 0.03793 0.31209 0.00151 -0.01850 103 13 H 1S 0.00177 -0.03760 0.01601 -0.02329 0.01831 104 2S 0.00280 -0.13848 0.07832 0.11736 0.06009 105 14 H 1S 0.01114 0.03979 -0.04590 -0.01859 -0.10072 106 2S -0.00859 0.10165 0.09741 -0.03422 0.14548 107 15 C 1S 0.00000 0.00000 0.00000 -0.11844 -0.00001 108 2S 0.00000 0.00000 0.00000 0.95164 0.00004 109 2PX 0.00000 0.00000 0.00000 0.13759 0.00000 110 2PY -0.14717 -0.36031 0.02410 0.00000 0.06091 111 2PZ 0.00000 -0.00001 0.00000 0.11876 0.00001 112 3S -0.00003 0.00000 0.00000 -2.06005 0.00004 113 3PX 0.00000 0.00000 0.00000 0.55643 0.00000 114 3PY -0.11067 -0.80246 0.11862 -0.00002 0.41048 115 3PZ 0.00001 -0.00002 0.00000 0.60124 0.00000 116 4XX 0.00000 0.00000 0.00000 -0.55723 -0.00003 117 4YY -0.00001 -0.00001 0.00000 -0.37555 -0.00004 118 4ZZ 0.00001 0.00001 0.00000 -0.55298 -0.00003 119 4XY 0.09556 0.36569 -0.03371 0.00000 0.04188 120 4XZ 0.00000 0.00001 0.00000 -0.05096 0.00000 121 4YZ 0.09442 0.34630 -0.03868 0.00000 0.11123 122 16 C 1S -0.01522 0.05497 -0.02325 -0.01588 -0.08287 123 2S -0.20091 0.14366 -0.05611 0.24729 0.77016 124 2PX 0.01440 -0.40494 0.06203 -0.05288 -0.15493 125 2PY 0.06655 0.23584 -0.04006 0.04196 -0.10381 126 2PZ -0.03111 -0.19921 0.03818 -0.00437 -0.06217 127 3S 1.13269 -2.85773 1.07846 -0.87288 -2.53978 128 3PX 0.19112 -1.00619 0.26799 -0.33958 -1.11918 129 3PY 0.48971 -0.28829 0.34417 0.07259 -0.49189 130 3PZ 0.48593 -1.49314 0.47346 -0.33713 -1.34352 131 4XX -0.03890 -0.30776 0.04782 -0.04405 -0.40561 132 4YY 0.12586 0.24497 -0.04008 -0.07705 -0.50470 133 4ZZ -0.00491 0.00961 -0.03496 -0.05323 -0.37520 134 4XY -0.02563 0.44147 -0.06521 -0.08592 -0.01243 135 4XZ 0.03146 -0.47077 0.07900 -0.05439 -0.12130 136 4YZ -0.01456 0.33442 -0.07164 -0.06456 -0.03968 137 17 C 1S 0.01522 -0.05497 0.02325 -0.01589 0.08291 138 2S 0.20092 -0.14369 0.05612 0.24735 -0.77042 139 2PX -0.01438 0.40494 -0.06203 -0.05289 0.15495 140 2PY 0.06655 0.23583 -0.04006 -0.04195 -0.10380 141 2PZ 0.03112 0.19921 -0.03818 -0.00438 0.06217 142 3S -1.13266 2.85777 -1.07846 -0.87292 2.53968 143 3PX -0.19110 1.00620 -0.26799 -0.33961 1.11916 144 3PY 0.48975 -0.28835 0.34419 -0.07258 -0.49195 145 3PZ -0.48590 1.49313 -0.47345 -0.33715 1.34348 146 4XX 0.03890 0.30777 -0.04783 -0.04408 0.40577 147 4YY -0.12587 -0.24500 0.04009 -0.07709 0.50484 148 4ZZ 0.00492 -0.00959 0.03495 -0.05326 0.37535 149 4XY -0.02562 0.44144 -0.06520 0.08592 -0.01243 150 4XZ -0.03144 0.47079 -0.07900 -0.05439 0.12130 151 4YZ -0.01457 0.33440 -0.07164 0.06455 -0.03967 152 18 H 1S 0.00000 0.00000 0.00000 0.22760 0.00000 153 2S 0.00001 0.00000 0.00000 0.00601 -0.00001 154 19 H 1S 0.01796 -0.14796 0.05667 0.08760 0.07015 155 2S 0.14514 -0.20838 0.09810 -0.04073 -0.39994 156 20 H 1S -0.01796 0.14796 -0.05667 0.08760 -0.07017 157 2S -0.14514 0.20837 -0.09810 -0.04073 0.39995 158 21 H 1S 0.00000 0.00000 0.00000 0.22974 0.00000 159 2S 0.00000 0.00000 0.00000 -0.03667 -0.00001 160 22 O 1S -0.00778 -0.00148 0.00815 -0.38223 0.40004 161 2S -0.14684 0.41011 -0.13691 -0.38936 0.57611 162 2PX -0.00763 0.00741 0.00147 0.05580 -0.07597 163 2PY 0.00949 0.02958 -0.00261 0.13502 -0.17063 164 2PZ -0.00772 0.00938 -0.00617 0.02060 -0.00403 165 3S 0.59131 -1.45555 0.41061 4.65349 -5.24232 166 3PX -0.06253 1.36966 -0.28373 -0.18042 0.81925 167 3PY -0.20474 -0.03383 -0.06799 -0.95535 0.82535 168 3PZ 0.02824 0.98119 -0.16715 -0.01611 0.39226 169 4XX 0.00150 -0.50036 0.12373 -1.23315 1.20338 170 4YY 0.04087 0.38755 -0.02805 -1.13386 1.25952 171 4ZZ -0.04668 -0.13375 0.04528 -1.29797 1.35580 172 4XY -0.04407 -0.42497 0.07250 -0.03982 -0.14548 173 4XZ 0.02099 -0.40039 0.06618 0.08297 -0.23282 174 4YZ -0.07271 -0.38061 0.05809 -0.08578 -0.07051 175 23 O 1S 0.00778 0.00147 -0.00815 -0.38222 -0.40005 176 2S 0.14685 -0.41010 0.13691 -0.38935 -0.57611 177 2PX 0.00763 -0.00741 -0.00147 0.05580 0.07598 178 2PY 0.00949 0.02958 -0.00261 -0.13502 -0.17064 179 2PZ 0.00772 -0.00938 0.00617 0.02059 0.00403 180 3S -0.59133 1.45554 -0.41061 4.65336 5.24241 181 3PX 0.06258 -1.36964 0.28372 -0.18039 -0.81924 182 3PY -0.20473 -0.03378 -0.06799 0.95534 0.82539 183 3PZ -0.02822 -0.98120 0.16716 -0.01605 -0.39223 184 4XX -0.00151 0.50034 -0.12373 -1.23313 -1.20342 185 4YY -0.04085 -0.38752 0.02804 -1.13383 -1.25952 186 4ZZ 0.04667 0.13373 -0.04528 -1.29793 -1.35583 187 4XY -0.04405 -0.42500 0.07250 0.03982 -0.14548 188 4XZ -0.02100 0.40037 -0.06617 0.08296 0.23280 189 4YZ -0.07270 -0.38065 0.05810 0.08579 -0.07050 181 182 183 184 185 V V V V V Eigenvalues -- 4.12768 4.25201 4.26811 4.36204 4.37021 1 1 C 1S -0.10991 -0.06741 -0.02806 -0.12702 -0.19383 2 2S 0.69602 0.34255 0.06278 0.55818 0.67714 3 2PX -0.05140 0.09101 -0.03145 -0.00725 -0.09421 4 2PY 0.04692 -0.05454 0.00650 -0.02415 -0.04397 5 2PZ -0.00557 0.10239 -0.00142 0.01736 -0.02711 6 3S 0.23788 0.50280 0.05762 0.67970 1.49653 7 3PX -0.03895 -0.16185 0.10890 0.07508 -0.08019 8 3PY 0.00512 0.15498 0.10807 0.10225 0.70504 9 3PZ -0.03946 -0.19928 0.06641 -0.13897 0.01785 10 4XX -0.38368 -0.31923 -0.05012 -0.40182 -0.61310 11 4YY -0.43498 -0.27918 -0.10364 -0.49468 -0.60510 12 4ZZ -0.33215 -0.22074 -0.01390 -0.40624 -0.54930 13 4XY -0.03497 0.07464 0.01687 0.03140 -0.05353 14 4XZ 0.07330 -0.04746 0.02937 -0.03614 0.13772 15 4YZ 0.00688 0.09564 0.01774 0.00654 -0.01179 16 2 H 1S 0.06191 0.03229 0.03190 0.04766 0.07623 17 2S -0.09572 -0.01850 0.01558 -0.11198 0.06934 18 3 C 1S -0.19903 0.26104 -0.08422 -0.04543 -0.23408 19 2S 1.36001 -1.42391 0.52362 0.31014 1.44025 20 2PX -0.01080 0.10548 -0.01625 0.01667 -0.05133 21 2PY 0.05855 -0.05469 0.03035 -0.00787 -0.17044 22 2PZ 0.00893 0.06995 0.00817 0.04119 -0.01014 23 3S 0.35607 -1.13022 0.30645 -0.08049 0.43249 24 3PX -0.04312 -0.24739 0.00191 -0.07925 -0.22251 25 3PY -0.02087 0.03261 -0.08945 0.01350 0.12387 26 3PZ -0.07010 -0.16171 -0.04691 -0.08659 -0.35815 27 4XX -0.78708 1.01488 -0.31830 -0.15076 -0.89782 28 4YY -0.73395 0.88773 -0.30559 -0.16353 -1.13789 29 4ZZ -0.78815 1.02399 -0.33790 -0.17327 -0.89956 30 4XY 0.00316 -0.02559 0.00042 -0.02791 0.02961 31 4XZ -0.01738 0.02811 -0.01095 0.00840 -0.00807 32 4YZ -0.00185 -0.03111 -0.00872 -0.04185 -0.00221 33 4 H 1S 0.08717 -0.09950 0.02917 0.04031 0.06157 34 2S -0.18578 0.14616 -0.11995 -0.09052 -0.28249 35 5 C 1S -0.19903 0.26103 -0.08422 -0.04548 0.23408 36 2S 1.35992 -1.42389 0.52360 0.31040 -1.44024 37 2PX -0.01080 0.10548 -0.01625 0.01666 0.05133 38 2PY -0.05856 0.05469 -0.03035 0.00790 -0.17044 39 2PZ 0.00894 0.06995 0.00817 0.04119 0.01015 40 3S 0.35634 -1.13019 0.30643 -0.08045 -0.43256 41 3PX -0.04302 -0.24739 0.00191 -0.07930 0.22249 42 3PY 0.02075 -0.03260 0.08947 -0.01350 0.12384 43 3PZ -0.07001 -0.16170 -0.04691 -0.08666 0.35812 44 4XX -0.78705 1.01486 -0.31829 -0.15091 0.89782 45 4YY -0.73390 0.88770 -0.30557 -0.16374 1.13788 46 4ZZ -0.78812 1.02397 -0.33788 -0.17343 0.89956 47 4XY -0.00315 0.02559 -0.00041 0.02791 0.02963 48 4XZ -0.01736 0.02811 -0.01095 0.00840 0.00807 49 4YZ 0.00186 0.03111 0.00872 0.04186 -0.00219 50 6 H 1S 0.08718 -0.09950 0.02917 0.04032 -0.06157 51 2S -0.18573 0.14615 -0.11996 -0.09057 0.28247 52 7 C 1S -0.10991 -0.06741 -0.02806 -0.12706 0.19378 53 2S 0.69611 0.34257 0.06275 0.55831 -0.67691 54 2PX -0.05139 0.09100 -0.03144 -0.00726 0.09422 55 2PY -0.04691 0.05453 -0.00650 0.02416 -0.04397 56 2PZ -0.00557 0.10239 -0.00141 0.01736 0.02711 57 3S 0.23765 0.50280 0.05762 0.68002 -1.49627 58 3PX -0.03898 -0.16184 0.10892 0.07507 0.08022 59 3PY -0.00497 -0.15496 -0.10809 -0.10240 0.70501 60 3PZ -0.03951 -0.19928 0.06642 -0.13897 -0.01784 61 4XX -0.38372 -0.31924 -0.05011 -0.40195 0.61293 62 4YY -0.43501 -0.27919 -0.10362 -0.49480 0.60493 63 4ZZ -0.33219 -0.22075 -0.01388 -0.40635 0.54913 64 4XY 0.03496 -0.07464 -0.01688 -0.03139 -0.05354 65 4XZ 0.07328 -0.04747 0.02937 -0.03612 -0.13773 66 4YZ -0.00689 -0.09564 -0.01775 -0.00654 -0.01178 67 8 H 1S 0.06191 0.03229 0.03190 0.04767 -0.07622 68 2S -0.09576 -0.01850 0.01559 -0.11196 -0.06938 69 9 C 1S -0.14567 -0.21545 -0.11494 -0.13170 -0.11918 70 2S 0.90820 1.08787 0.64834 0.60523 0.82020 71 2PX -0.00337 0.01855 -0.01039 -0.04726 -0.01356 72 2PY 0.02245 0.00012 0.01532 -0.01488 -0.03981 73 2PZ -0.01941 0.03378 0.03520 0.03759 0.02208 74 3S 0.48740 0.94664 0.35419 0.53363 -0.07863 75 3PX 0.01729 -0.02355 0.07094 0.18571 0.21849 76 3PY -0.06772 -0.06732 -0.01887 -0.02667 -0.13381 77 3PZ 0.08604 -0.04609 0.02121 -0.07444 0.30261 78 4XX -0.57869 -0.82283 -0.44238 -0.48422 -0.48352 79 4YY -0.50071 -0.70329 -0.39486 -0.42641 -0.56249 80 4ZZ -0.56905 -0.80107 -0.46447 -0.45561 -0.46921 81 4XY 0.00709 -0.00234 -0.00012 -0.00631 0.01885 82 4XZ 0.00275 0.01461 -0.01210 0.01367 0.02759 83 4YZ 0.01476 0.01443 0.00126 0.04838 0.03770 84 10 H 1S 0.05450 0.05957 0.04205 0.05721 0.08180 85 2S -0.17684 -0.22835 -0.07708 -0.01559 -0.14866 86 11 H 1S 0.06197 0.06898 0.03404 0.02827 0.03716 87 2S -0.18201 -0.21789 -0.14873 -0.26746 -0.21410 88 12 C 1S -0.14567 -0.21545 -0.11494 -0.13173 0.11917 89 2S 0.90819 1.08786 0.64836 0.60540 -0.82016 90 2PX -0.00338 0.01855 -0.01039 -0.04726 0.01354 91 2PY -0.02245 -0.00013 -0.01532 0.01489 -0.03981 92 2PZ -0.01942 0.03379 0.03520 0.03760 -0.02207 93 3S 0.48755 0.94665 0.35417 0.53362 0.07864 94 3PX 0.01729 -0.02356 0.07093 0.18575 -0.21844 95 3PY 0.06769 0.06731 0.01887 0.02669 -0.13380 96 3PZ 0.08595 -0.04610 0.02123 -0.07437 -0.30262 97 4XX -0.57870 -0.82283 -0.44239 -0.48433 0.48348 98 4YY -0.50070 -0.70328 -0.39487 -0.42653 0.56245 99 4ZZ -0.56904 -0.80106 -0.46449 -0.45572 0.46919 100 4XY -0.00709 0.00234 0.00012 0.00630 0.01885 101 4XZ 0.00276 0.01461 -0.01210 0.01368 -0.02758 102 4YZ -0.01476 -0.01443 -0.00125 -0.04838 0.03769 103 13 H 1S 0.05450 0.05957 0.04204 0.05723 -0.08179 104 2S -0.17683 -0.22834 -0.07709 -0.01562 0.14867 105 14 H 1S 0.06195 0.06898 0.03405 0.02828 -0.03716 106 2S -0.18198 -0.21788 -0.14873 -0.26750 0.21406 107 15 C 1S 0.06727 -0.05220 -0.40605 0.21142 0.00002 108 2S -0.25850 0.36759 2.24916 -1.34909 -0.00012 109 2PX 0.00836 0.05102 0.11172 -0.04488 0.00000 110 2PY 0.00001 0.00000 0.00000 0.00000 0.00149 111 2PZ 0.00500 0.06333 0.10704 -0.04126 0.00000 112 3S -0.67797 -0.51409 2.05253 -1.32763 -0.00013 113 3PX 0.13165 0.20275 -0.09273 -0.02965 -0.00001 114 3PY 0.00004 0.00000 0.00000 0.00002 -0.14470 115 3PZ 0.09206 0.13829 -0.02566 -0.04805 0.00000 116 4XX 0.21291 -0.22232 -1.53802 0.88424 0.00007 117 4YY 0.23209 -0.21068 -1.73885 0.98637 0.00009 118 4ZZ 0.22402 -0.24155 -1.56266 0.85023 0.00007 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00712 120 4XZ -0.03893 -0.03602 -0.03275 0.07872 0.00001 121 4YZ 0.00001 0.00000 0.00000 0.00000 -0.00641 122 16 C 1S -0.19129 -0.07311 0.14498 0.25582 -0.11792 123 2S 1.23019 0.54309 -0.63303 -1.30983 0.92759 124 2PX -0.05216 -0.01533 0.00531 0.01098 -0.03723 125 2PY 0.06974 0.06629 0.00619 -0.03771 -0.08656 126 2PZ -0.03585 -0.00414 0.04878 0.08643 -0.03191 127 3S 0.46719 -0.12322 -0.41147 -1.23941 0.31598 128 3PX 0.05180 -0.27417 0.01861 0.02017 0.32893 129 3PY -0.03781 -0.04764 -0.18480 0.09210 -0.03829 130 3PZ -0.00242 -0.29371 -0.16537 -0.24566 -0.02355 131 4XX -0.77673 -0.32389 0.50634 0.99737 -0.55950 132 4YY -0.69158 -0.27540 0.44667 0.87304 -0.64049 133 4ZZ -0.76251 -0.32117 0.52657 0.98239 -0.51948 134 4XY 0.01172 0.00356 -0.02670 -0.04985 0.03220 135 4XZ -0.01769 -0.06140 -0.00865 0.06509 -0.00592 136 4YZ -0.00492 0.02031 0.00697 0.00399 -0.00790 137 17 C 1S -0.19127 -0.07310 0.14497 0.25579 0.11798 138 2S 1.23000 0.54305 -0.63302 -1.30961 -0.92785 139 2PX -0.05212 -0.01532 0.00531 0.01097 0.03723 140 2PY -0.06976 -0.06629 -0.00619 0.03773 -0.08655 141 2PZ -0.03583 -0.00414 0.04877 0.08642 0.03192 142 3S 0.46771 -0.12320 -0.41144 -1.23932 -0.31627 143 3PX 0.05204 -0.27415 0.01862 0.02025 -0.32894 144 3PY 0.03772 0.04765 0.18479 -0.09209 -0.03834 145 3PZ -0.00214 -0.29369 -0.16536 -0.24566 0.02350 146 4XX -0.77662 -0.32387 0.50634 0.99723 0.55970 147 4YY -0.69145 -0.27537 0.44666 0.87289 0.64067 148 4ZZ -0.76241 -0.32115 0.52656 0.98227 0.51968 149 4XY -0.01172 -0.00355 0.02670 0.04984 0.03221 150 4XZ -0.01766 -0.06140 -0.00865 0.06509 0.00593 151 4YZ 0.00491 -0.02030 -0.00697 -0.00400 -0.00789 152 18 H 1S 0.00423 0.05859 0.08718 -0.02326 0.00000 153 2S 0.07091 -0.04012 -0.42390 0.27721 0.00003 154 19 H 1S 0.09944 0.01259 -0.08133 -0.07094 0.08958 155 2S -0.18700 -0.17310 0.01672 0.20811 -0.13721 156 20 H 1S 0.09943 0.01259 -0.08134 -0.07093 -0.08959 157 2S -0.18692 -0.17309 0.01672 0.20808 0.13727 158 21 H 1S 0.00028 0.06921 0.08071 -0.02110 0.00000 159 2S 0.12993 0.03798 -0.44937 0.33219 0.00002 160 22 O 1S -0.01888 -0.09697 0.06211 -0.11344 -0.05527 161 2S -0.04188 -0.20520 -0.03613 -0.09085 -0.03461 162 2PX -0.03449 -0.00232 0.04229 0.04605 0.02270 163 2PY 0.00358 0.02748 -0.05069 0.07969 0.03103 164 2PZ -0.03321 -0.00121 0.03421 0.01606 0.02040 165 3S 0.27596 1.47838 -0.67432 1.52465 0.68541 166 3PX -0.02101 -0.14840 0.04649 -0.11363 0.04061 167 3PY -0.10395 -0.36462 -0.07396 -0.10060 -0.06050 168 3PZ 0.01854 -0.05703 0.08278 0.00384 -0.00988 169 4XX -0.00391 -0.26620 0.16922 -0.44021 -0.23255 170 4YY -0.07086 -0.25370 0.41467 -0.46436 -0.18877 171 4ZZ -0.03491 -0.31337 0.17544 -0.43510 -0.19918 172 4XY 0.04943 0.01897 -0.14328 0.02007 -0.03238 173 4XZ 0.06880 0.07563 0.01354 -0.13457 -0.04373 174 4YZ 0.02822 -0.01127 -0.14871 0.02479 -0.02477 175 23 O 1S -0.01896 -0.09697 0.06211 -0.11346 0.05525 176 2S -0.04200 -0.20521 -0.03613 -0.09087 0.03458 177 2PX -0.03447 -0.00232 0.04229 0.04606 -0.02269 178 2PY -0.00361 -0.02748 0.05068 -0.07970 0.03101 179 2PZ -0.03321 -0.00122 0.03422 0.01606 -0.02040 180 3S 0.27703 1.47845 -0.67431 1.52484 -0.68502 181 3PX -0.02119 -0.14841 0.04649 -0.11362 -0.04065 182 3PY 0.10412 0.36464 0.07395 0.10062 -0.06047 183 3PZ 0.01846 -0.05703 0.08279 0.00385 0.00987 184 4XX -0.00415 -0.26621 0.16922 -0.44027 0.23245 185 4YY -0.07111 -0.25371 0.41465 -0.46441 0.18866 186 4ZZ -0.03518 -0.31338 0.17545 -0.43516 0.19907 187 4XY -0.04946 -0.01898 0.14328 -0.02006 -0.03239 188 4XZ 0.06885 0.07563 0.01355 -0.13458 0.04371 189 4YZ -0.02824 0.01127 0.14872 -0.02479 -0.02477 186 187 188 189 V V V V Eigenvalues -- 4.44855 4.48938 4.64964 4.87450 1 1 C 1S -0.31021 -0.01765 0.06328 -0.39733 2 2S 1.68135 0.20878 -0.63542 0.86947 3 2PX 0.01700 0.06179 -0.02302 -0.03927 4 2PY -0.09743 -0.04325 0.02358 -0.23825 5 2PZ 0.00165 0.06094 -0.02871 0.00257 6 3S 2.08456 0.18109 -0.58234 5.57633 7 3PX 0.10540 -0.23117 0.07566 0.02217 8 3PY 0.20654 0.16625 -0.01718 2.17171 9 3PZ 0.09627 -0.15241 -0.18162 0.16680 10 4XX -1.20511 -0.20739 0.35217 -1.24854 11 4YY -1.18922 -0.11221 0.29720 -1.23893 12 4ZZ -1.30368 -0.06078 0.44317 -1.26358 13 4XY 0.03526 0.04979 0.04074 0.05449 14 4XZ -0.10807 -0.04977 0.03867 -0.08151 15 4YZ -0.01142 0.09008 0.02059 0.02981 16 2 H 1S 0.05468 0.03349 -0.00482 0.08320 17 2S -0.29998 0.04600 0.07290 0.13428 18 3 C 1S 0.04284 0.24217 -0.03733 0.11021 19 2S -0.21242 -1.19016 0.29985 -0.33656 20 2PX 0.09759 0.08943 -0.01813 0.05850 21 2PY -0.08019 0.11209 -0.02020 -0.02657 22 2PZ 0.08309 0.06553 -0.01298 0.07665 23 3S -0.59574 -2.23784 0.13800 -3.99595 24 3PX -0.15490 -0.42212 -0.08810 -1.25046 25 3PY 0.05359 -0.47959 -0.09256 -0.81437 26 3PZ -0.11879 -0.33636 -0.07176 -1.24687 27 4XX 0.21925 0.88228 -0.17560 0.40021 28 4YY 0.18375 1.09648 -0.25471 0.47307 29 4ZZ 0.22483 0.90362 -0.16773 0.40653 30 4XY -0.10512 -0.05595 0.05224 -0.12982 31 4XZ 0.07640 0.02438 -0.04122 0.07580 32 4YZ -0.07637 -0.05262 -0.00128 -0.11044 33 4 H 1S 0.00537 -0.07287 0.00561 -0.04269 34 2S 0.02413 0.06608 -0.11391 -0.30472 35 5 C 1S 0.04280 -0.24218 0.03733 -0.11021 36 2S -0.21221 1.19021 -0.29986 0.33655 37 2PX 0.09758 -0.08944 0.01813 -0.05850 38 2PY 0.08021 0.11209 -0.02020 -0.02656 39 2PZ 0.08308 -0.06554 0.01299 -0.07664 40 3S -0.59550 2.23791 -0.13804 3.99590 41 3PX -0.15488 0.42213 0.08809 1.25044 42 3PY -0.05364 -0.47962 -0.09258 -0.81444 43 3PZ -0.11878 0.33636 0.07175 1.24681 44 4XX 0.21912 -0.88232 0.17561 -0.40020 45 4YY 0.18356 -1.09651 0.25471 -0.47304 46 4ZZ 0.22469 -0.90366 0.16774 -0.40653 47 4XY 0.10511 -0.05596 0.05224 -0.12982 48 4XZ 0.07640 -0.02439 0.04122 -0.07581 49 4YZ 0.07636 -0.05263 -0.00127 -0.11044 50 6 H 1S 0.00538 0.07287 -0.00561 0.04269 51 2S 0.02411 -0.06608 0.11392 0.30472 52 7 C 1S -0.31022 0.01768 -0.06329 0.39733 53 2S 1.68137 -0.20893 0.63550 -0.86944 54 2PX 0.01699 -0.06179 0.02301 0.03925 55 2PY 0.09743 -0.04325 0.02358 -0.23824 56 2PZ 0.00165 -0.06095 0.02871 -0.00257 57 3S 2.08468 -0.18127 0.58244 -5.57633 58 3PX 0.10542 0.23117 -0.07567 -0.02214 59 3PY -0.20657 0.16626 -0.01717 2.17169 60 3PZ 0.09626 0.15239 0.18161 -0.16673 61 4XX -1.20515 0.20750 -0.35224 1.24851 62 4YY -1.18926 0.11231 -0.29726 1.23892 63 4ZZ -1.30371 0.06089 -0.44323 1.26356 64 4XY -0.03525 0.04979 0.04074 0.05449 65 4XZ -0.10806 0.04978 -0.03867 0.08152 66 4YZ 0.01143 0.09008 0.02060 0.02981 67 8 H 1S 0.05468 -0.03349 0.00482 -0.08320 68 2S -0.29999 -0.04597 -0.07292 -0.13426 69 9 C 1S 0.16793 -0.21054 -0.29788 0.02104 70 2S -0.86740 1.00764 1.24070 -0.07128 71 2PX -0.01013 0.02445 -0.02140 -0.03683 72 2PY -0.02353 -0.03248 -0.02925 -0.01345 73 2PZ -0.07697 0.03358 0.10517 0.09485 74 3S -1.27534 1.69276 2.92541 -2.19407 75 3PX 0.00801 -0.11114 0.25111 0.69976 76 3PY 0.12522 0.16543 0.45999 -0.12988 77 3PZ 0.23313 -0.09185 -0.38961 0.65258 78 4XX 0.64184 -0.75621 -1.00216 0.04237 79 4YY 0.57631 -0.86672 -1.18720 0.08416 80 4ZZ 0.75173 -0.74115 -1.07426 0.10632 81 4XY 0.02896 -0.02893 -0.00098 0.03451 82 4XZ 0.05156 0.00086 -0.01516 0.05015 83 4YZ 0.09802 -0.01055 -0.07548 0.09366 84 10 H 1S -0.01388 -0.00441 0.00311 0.14580 85 2S 0.13794 -0.27348 -0.14870 0.16920 86 11 H 1S -0.01869 0.00394 -0.06359 0.04795 87 2S 0.21765 -0.17498 -0.41157 -0.18185 88 12 C 1S 0.16793 0.21052 0.29788 -0.02104 89 2S -0.86737 -1.00757 -1.24073 0.07128 90 2PX -0.01013 -0.02445 0.02140 0.03683 91 2PY 0.02353 -0.03248 -0.02924 -0.01345 92 2PZ -0.07697 -0.03358 -0.10517 -0.09485 93 3S -1.27537 -1.69264 -2.92545 2.19406 94 3PX 0.00803 0.11115 -0.25111 -0.69973 95 3PY -0.12523 0.16544 0.45998 -0.12983 96 3PZ 0.23314 0.09183 0.38963 -0.65258 97 4XX 0.64182 0.75615 1.00218 -0.04236 98 4YY 0.57630 0.86668 1.18722 -0.08416 99 4ZZ 0.75170 0.74109 1.07428 -0.10631 100 4XY -0.02896 -0.02893 -0.00097 0.03451 101 4XZ 0.05156 -0.00087 0.01516 -0.05015 102 4YZ -0.09803 -0.01054 -0.07548 0.09366 103 13 H 1S -0.01387 0.00441 -0.00311 -0.14580 104 2S 0.13795 0.27347 0.14870 -0.16920 105 14 H 1S -0.01869 -0.00394 0.06359 -0.04795 106 2S 0.21764 0.17495 0.41157 0.18184 107 15 C 1S -0.08856 0.00000 0.00000 0.00000 108 2S 0.39731 -0.00002 0.00002 0.00000 109 2PX 0.04049 0.00000 0.00000 0.00000 110 2PY 0.00000 -0.01239 0.02392 0.07388 111 2PZ -0.00768 0.00000 0.00000 0.00000 112 3S 0.79233 -0.00003 0.00004 -0.00001 113 3PX -0.21494 0.00001 -0.00001 0.00001 114 3PY 0.00000 -0.15131 0.07410 0.10253 115 3PZ 0.06637 0.00000 -0.00001 -0.00001 116 4XX -0.33182 0.00001 -0.00001 0.00000 117 4YY -0.33319 0.00001 -0.00002 0.00000 118 4ZZ -0.31746 0.00001 -0.00001 0.00001 119 4XY 0.00000 0.01473 0.01885 -0.00688 120 4XZ 0.00223 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00054 0.02225 0.04355 122 16 C 1S 0.00630 -0.17836 0.24163 0.21135 123 2S 0.16537 0.98151 -0.91682 -0.15184 124 2PX -0.00814 -0.01937 -0.00522 -0.08696 125 2PY -0.00337 -0.09665 0.10306 0.04914 126 2PZ -0.01512 -0.02679 0.11074 0.04973 127 3S -0.34579 1.01637 -3.28347 -5.19162 128 3PX 0.09560 -0.41278 -0.36040 -0.33749 129 3PY 0.12763 0.07961 -1.05932 -1.23556 130 3PZ -0.04671 -0.34439 -0.93872 -1.67700 131 4XX -0.07579 -0.72298 0.85738 0.48345 132 4YY -0.01745 -0.85069 0.97520 0.67522 133 4ZZ -0.02168 -0.68694 0.83968 0.56728 134 4XY -0.01694 0.02066 0.00858 0.00885 135 4XZ 0.01704 -0.07022 -0.00944 -0.01513 136 4YZ 0.00893 0.04286 -0.04807 -0.04244 137 17 C 1S 0.00632 0.17837 -0.24163 -0.21136 138 2S 0.16529 -0.98158 0.91684 0.15183 139 2PX -0.00813 0.01937 0.00523 0.08695 140 2PY 0.00336 -0.09665 0.10306 0.04914 141 2PZ -0.01512 0.02679 -0.11074 -0.04973 142 3S -0.34594 -1.01642 3.28350 5.19168 143 3PX 0.09568 0.41277 0.36040 0.33748 144 3PY -0.12760 0.07959 -1.05935 -1.23564 145 3PZ -0.04669 0.34440 0.93866 1.67695 146 4XX -0.07572 0.72303 -0.85740 -0.48345 147 4YY -0.01736 0.85072 -0.97521 -0.67523 148 4ZZ -0.02161 0.68699 -0.83971 -0.56731 149 4XY 0.01694 0.02066 0.00858 0.00885 150 4XZ 0.01705 0.07022 0.00945 0.01513 151 4YZ -0.00892 0.04287 -0.04807 -0.04245 152 18 H 1S 0.02024 0.00000 0.00000 0.00000 153 2S -0.02663 0.00000 0.00000 -0.00001 154 19 H 1S 0.03107 -0.03386 -0.07909 0.01540 155 2S 0.07583 -0.31716 -0.14408 -0.19368 156 20 H 1S 0.03107 0.03386 0.07909 -0.01539 157 2S 0.07585 0.31717 0.14407 0.19367 158 21 H 1S -0.02598 0.00000 0.00000 0.00000 159 2S -0.23868 0.00001 0.00000 0.00001 160 22 O 1S 0.02238 -0.02129 0.07048 0.15852 161 2S 0.01394 0.04388 0.12993 0.41030 162 2PX 0.00745 0.03174 -0.02760 -0.06401 163 2PY -0.01804 0.02826 -0.03199 -0.06991 164 2PZ 0.01783 0.00970 -0.01486 -0.00948 165 3S -0.30031 0.07612 -1.41416 -3.01398 166 3PX -0.05698 0.15160 0.21142 0.68372 167 3PY 0.08065 0.00412 0.18137 0.45738 168 3PZ -0.09207 0.14393 0.03800 0.20514 169 4XX 0.09188 -0.15353 0.24686 0.44253 170 4YY 0.09721 -0.07905 0.24810 0.51717 171 4ZZ 0.06803 -0.10315 0.25751 0.55316 172 4XY -0.02039 -0.06396 0.02900 -0.03262 173 4XZ 0.02570 -0.09107 0.09141 -0.00222 174 4YZ -0.01583 -0.05792 0.02231 0.00448 175 23 O 1S 0.02237 0.02128 -0.07048 -0.15852 176 2S 0.01392 -0.04389 -0.12992 -0.41030 177 2PX 0.00745 -0.03174 0.02760 0.06401 178 2PY 0.01804 0.02826 -0.03199 -0.06991 179 2PZ 0.01783 -0.00970 0.01486 0.00948 180 3S -0.30022 -0.07603 1.41411 3.01401 181 3PX -0.05700 -0.15160 -0.21141 -0.68371 182 3PY -0.08063 0.00414 0.18137 0.45740 183 3PZ -0.09210 -0.14392 -0.03800 -0.20513 184 4XX 0.09187 0.15351 -0.24685 -0.44254 185 4YY 0.09719 0.07903 -0.24809 -0.51717 186 4ZZ 0.06801 0.10313 -0.25750 -0.55317 187 4XY 0.02038 -0.06396 0.02900 -0.03262 188 4XZ 0.02571 0.09106 -0.09141 0.00222 189 4YZ 0.01583 -0.05792 0.02231 0.00447 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05499 2 2S -0.06133 0.32633 3 2PX 0.00315 -0.00484 0.35438 4 2PY 0.00192 0.00376 -0.02302 0.41151 5 2PZ 0.00214 0.00093 0.04000 0.00391 0.38400 6 3S -0.19781 0.29070 0.01226 -0.00351 -0.02808 7 3PX -0.00758 0.01604 0.19638 0.01983 -0.03216 8 3PY -0.00758 -0.00820 -0.00466 0.13002 -0.01758 9 3PZ 0.00298 -0.00462 -0.04853 -0.01429 0.17019 10 4XX -0.01132 -0.01296 -0.00888 0.00494 -0.00137 11 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 12 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 13 4XY 0.00162 -0.00345 0.00762 0.00005 0.00415 14 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00116 15 4YZ -0.00081 0.00153 0.00335 -0.00229 0.01081 16 2 H 1S -0.05969 0.11295 0.02941 -0.26415 -0.02264 17 2S -0.01311 0.02597 0.00927 -0.24493 -0.02198 18 3 C 1S 0.01788 -0.03384 0.05514 -0.03905 0.04364 19 2S -0.03602 0.06175 -0.11749 0.07545 -0.08981 20 2PX -0.05991 0.12166 0.00709 0.13785 -0.21173 21 2PY 0.03621 -0.07535 0.13525 -0.05073 0.08012 22 2PZ -0.04301 0.08348 -0.24258 0.06403 -0.01517 23 3S 0.01167 0.01681 -0.04582 0.10482 -0.05017 24 3PX -0.00739 0.03363 0.07526 0.06145 -0.08998 25 3PY 0.00604 -0.00949 0.09236 0.00968 0.03205 26 3PZ 0.00475 0.00613 -0.09987 0.00562 0.03875 27 4XX -0.00160 0.00278 0.00836 0.00424 -0.00521 28 4YY 0.00118 -0.00344 0.00219 -0.01331 0.00246 29 4ZZ -0.00024 0.00008 -0.00219 0.00190 0.01017 30 4XY 0.00373 -0.00671 0.00235 0.00163 0.00838 31 4XZ -0.00330 0.00637 -0.00296 0.00724 0.00074 32 4YZ 0.00332 -0.00626 0.00857 0.00162 0.00096 33 4 H 1S 0.01338 -0.02791 0.03270 -0.00421 0.03215 34 2S 0.01887 -0.03229 0.07740 0.00142 0.06794 35 5 C 1S -0.00340 0.00823 -0.00832 0.01167 -0.00446 36 2S 0.00831 -0.01879 0.02655 -0.02675 0.01369 37 2PX 0.00083 -0.00174 -0.00639 -0.00246 0.02038 38 2PY -0.01224 0.03290 -0.03169 0.03374 -0.01505 39 2PZ 0.00587 -0.01501 0.02711 -0.00710 -0.00551 40 3S -0.00303 -0.01977 -0.05035 -0.09132 -0.01050 41 3PX -0.00672 0.00622 -0.04990 -0.00084 0.00962 42 3PY -0.00510 0.01885 0.02124 0.05079 -0.00765 43 3PZ -0.00511 -0.00130 -0.00966 0.00107 -0.02947 44 4XX 0.00018 -0.00040 -0.00314 -0.00096 0.00187 45 4YY -0.00096 0.00214 -0.00147 0.00421 -0.00324 46 4ZZ -0.00025 0.00080 0.00075 0.00076 -0.00147 47 4XY 0.00180 -0.00376 -0.00179 -0.00591 0.00819 48 4XZ -0.00008 0.00016 -0.00173 -0.00001 -0.00049 49 4YZ 0.00116 -0.00224 0.01076 -0.00219 -0.00079 50 6 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 51 2S -0.01234 0.02410 -0.06563 0.03044 -0.02984 52 7 C 1S -0.00468 0.00678 0.00444 0.01024 -0.00218 53 2S 0.00678 -0.01943 -0.01494 -0.02846 0.00306 54 2PX 0.00443 -0.01494 -0.09410 -0.02688 0.03864 55 2PY -0.01024 0.02846 0.02688 0.03619 -0.01452 56 2PZ -0.00218 0.00306 0.03865 0.01452 -0.06996 57 3S 0.02825 -0.03182 0.02298 -0.03182 0.02406 58 3PX 0.00346 -0.01217 -0.08553 -0.02906 0.03407 59 3PY -0.01062 0.00751 -0.01954 -0.01165 -0.01762 60 3PZ -0.00234 0.00645 0.04463 0.01710 -0.05609 61 4XX -0.00045 -0.00045 0.00092 -0.00052 -0.00105 62 4YY -0.00084 0.00068 0.00196 0.00122 -0.00053 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 0.00001 0.00024 0.00002 66 4YZ -0.00001 0.00004 0.00161 0.00042 0.00128 67 8 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 68 2S -0.00361 0.01394 0.03433 0.02542 -0.00578 69 9 C 1S 0.01252 -0.02297 -0.02143 -0.02956 -0.05185 70 2S -0.02336 0.03914 0.04298 0.05547 0.10798 71 2PX 0.01707 -0.03370 0.00054 -0.02746 -0.08296 72 2PY 0.02349 -0.04867 -0.02055 -0.03154 -0.11040 73 2PZ 0.06432 -0.13741 -0.10105 -0.12206 -0.23457 74 3S 0.00258 0.02396 0.09359 0.11181 0.08685 75 3PX 0.00270 -0.01327 -0.00001 -0.01602 -0.03732 76 3PY 0.00571 -0.01147 -0.01357 0.00262 -0.05338 77 3PZ 0.01309 -0.04403 -0.04348 -0.05773 -0.11717 78 4XX 0.00197 -0.00450 -0.00735 -0.00167 -0.00376 79 4YY 0.00081 -0.00222 -0.00072 -0.00983 -0.00225 80 4ZZ -0.00457 0.00848 0.00573 0.00739 0.00104 81 4XY -0.00115 0.00204 -0.00143 -0.00103 0.00361 82 4XZ -0.00264 0.00524 -0.00785 0.00343 0.00571 83 4YZ -0.00410 0.00767 0.00392 -0.00341 0.00869 84 10 H 1S 0.00810 -0.02346 -0.00301 -0.00514 -0.02613 85 2S 0.01255 -0.02989 0.00776 -0.01032 -0.05902 86 11 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02345 87 2S 0.01421 -0.02688 -0.08199 -0.01218 -0.02899 88 12 C 1S -0.00202 0.00420 0.00310 0.00914 0.00490 89 2S 0.00459 -0.00918 -0.00431 -0.01813 -0.01663 90 2PX -0.00180 0.00336 0.00565 0.00361 0.00159 91 2PY -0.01024 0.02611 0.00235 0.03528 0.03068 92 2PZ -0.00336 0.01374 0.00368 0.00755 0.02388 93 3S -0.00082 -0.01381 -0.04768 -0.07650 0.00218 94 3PX 0.00043 0.00408 0.00897 0.00860 -0.00186 95 3PY -0.00685 0.01928 0.00922 0.05188 0.01857 96 3PZ 0.00016 0.00716 0.01326 0.00333 0.01589 97 4XX -0.00043 0.00105 0.00160 0.00085 -0.00003 98 4YY -0.00057 0.00088 0.00257 0.00192 0.00053 99 4ZZ 0.00018 -0.00091 -0.00295 -0.00150 0.00092 100 4XY -0.00034 0.00060 -0.00054 0.00070 0.00295 101 4XZ -0.00007 0.00013 0.00227 0.00068 -0.00232 102 4YZ -0.00151 0.00341 0.00257 0.00453 0.00723 103 13 H 1S -0.00194 0.00810 -0.00893 0.00399 0.02444 104 2S -0.00257 0.00829 -0.01197 0.01246 0.03387 105 14 H 1S -0.00421 0.01109 0.01222 0.01109 0.01093 106 2S -0.00628 0.01442 0.02774 0.02015 0.01335 107 15 C 1S 0.00031 0.00016 -0.00231 -0.00028 0.00028 108 2S -0.00014 0.00012 0.00529 0.00125 -0.00036 109 2PX 0.00106 -0.00104 -0.00790 -0.00130 0.00107 110 2PY 0.00029 -0.00035 -0.00363 0.00068 -0.00186 111 2PZ -0.00089 0.00172 -0.00117 -0.00103 0.00273 112 3S -0.00166 -0.00067 0.01412 0.00313 -0.00051 113 3PX 0.00070 0.00066 -0.00054 0.00011 0.00161 114 3PY -0.00010 0.00080 0.00118 -0.00034 -0.00115 115 3PZ -0.00012 0.00144 -0.01063 -0.00170 0.00865 116 4XX 0.00047 -0.00028 -0.00261 -0.00032 0.00062 117 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 118 4ZZ -0.00034 0.00032 0.00260 0.00051 -0.00089 119 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 120 4XZ -0.00011 0.00015 0.00004 -0.00016 -0.00005 121 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 122 16 C 1S -0.00194 0.00260 -0.00844 -0.00428 0.00245 123 2S 0.00084 -0.01172 0.01026 0.00288 -0.00673 124 2PX 0.00439 -0.00254 -0.10010 -0.03475 0.05651 125 2PY -0.00057 0.00517 -0.02521 -0.01767 0.00963 126 2PZ -0.00772 0.01091 0.08815 0.02313 -0.05946 127 3S 0.01939 -0.00897 0.03370 0.03756 0.01771 128 3PX -0.00116 0.00240 -0.06900 -0.02650 0.05827 129 3PY 0.00042 0.00592 -0.01878 0.00967 0.01998 130 3PZ 0.00289 0.00280 0.07192 0.01844 -0.02544 131 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 132 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 133 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 134 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 135 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 136 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 137 17 C 1S -0.00096 0.00325 0.00345 0.00441 -0.00066 138 2S 0.00309 -0.00397 -0.00801 -0.00651 0.00422 139 2PX -0.00602 0.01970 0.00550 0.00668 -0.00167 140 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 141 2PZ 0.00542 -0.01607 -0.01141 -0.00646 0.00572 142 3S -0.00390 -0.01547 -0.01234 -0.04106 -0.01992 143 3PX -0.00525 0.01582 0.01447 0.00809 -0.01701 144 3PY 0.00344 -0.00096 0.00298 0.01500 0.01066 145 3PZ 0.00095 -0.01385 -0.02188 -0.00944 -0.00461 146 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 147 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 148 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 149 4XY -0.00037 0.00017 0.00560 0.00231 -0.00325 150 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 151 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 152 18 H 1S 0.00142 -0.00087 -0.01077 -0.00153 0.00282 153 2S 0.00191 -0.00083 -0.02157 -0.00370 0.00567 154 19 H 1S 0.00600 -0.01492 -0.02505 -0.00207 0.02148 155 2S 0.00674 -0.01324 -0.02738 -0.00707 0.02822 156 20 H 1S -0.00218 0.00570 0.01887 0.00820 -0.01269 157 2S -0.00428 0.00822 0.02245 0.01241 -0.02171 158 21 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 159 2S -0.00192 0.00051 0.01929 0.00327 -0.01359 160 22 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00037 161 2S -0.00033 0.00189 0.00261 0.00159 -0.00241 162 2PX 0.00196 -0.01053 -0.00511 -0.00636 0.00385 163 2PY 0.00012 -0.00069 -0.00506 -0.00592 0.00207 164 2PZ -0.00038 0.00618 -0.01085 -0.00505 0.00366 165 3S 0.00417 0.00260 -0.00465 0.00354 0.01628 166 3PX 0.00087 -0.00950 -0.00799 -0.00668 0.00036 167 3PY -0.00084 -0.00063 -0.00069 -0.00534 -0.00211 168 3PZ -0.00100 0.00695 -0.00652 -0.00313 0.00013 169 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 170 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 171 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 172 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 173 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 174 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 175 23 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 176 2S 0.00144 -0.00357 -0.00923 -0.00011 0.00160 177 2PX -0.00871 0.01382 0.06019 0.01145 -0.01992 178 2PY -0.00185 0.00158 0.00859 -0.00100 -0.00434 179 2PZ 0.00816 -0.00917 -0.05234 -0.01313 0.02773 180 3S -0.00560 -0.00093 -0.01763 -0.00058 -0.01791 181 3PX -0.00393 0.01001 0.05169 0.01067 -0.01445 182 3PY -0.00167 0.00082 0.00513 -0.00137 -0.00722 183 3PZ 0.00725 -0.00761 -0.04914 -0.01410 0.03125 184 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 185 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 186 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 187 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 188 4XZ 0.00009 -0.00043 -0.00078 -0.00004 0.00006 189 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 6 7 8 9 10 6 3S 0.30063 7 3PX 0.02130 0.12488 8 3PY 0.00563 0.00625 0.05321 9 3PZ -0.02582 -0.05271 -0.01514 0.09657 10 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 11 4YY 0.00386 0.00113 -0.00652 -0.00038 -0.00052 12 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 13 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 14 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 15 4YZ 0.00060 0.00006 -0.00162 0.00357 -0.00014 16 2 H 1S 0.11235 0.00497 -0.08410 -0.00406 -0.00852 17 2S 0.03320 -0.01111 -0.07232 0.00216 -0.00500 18 3 C 1S -0.00917 0.01230 -0.00984 0.00436 -0.00196 19 2S 0.03346 -0.03508 0.02573 -0.01208 0.00317 20 2PX 0.13111 0.04974 0.05357 -0.09570 -0.01089 21 2PY -0.05000 0.06232 -0.00539 0.03267 -0.00515 22 2PZ 0.09079 -0.12907 0.02376 0.02874 0.00700 23 3S -0.02632 0.00784 0.01880 -0.00661 0.00431 24 3PX 0.02878 0.06572 0.01760 -0.05086 -0.00751 25 3PY -0.00107 0.05178 0.00218 -0.00022 -0.00330 26 3PZ 0.00197 -0.06093 -0.00261 0.03335 0.00592 27 4XX 0.00396 0.00568 0.00159 -0.00483 -0.00025 28 4YY -0.00287 -0.00025 -0.00408 0.00198 -0.00020 29 4ZZ -0.00161 -0.00269 -0.00056 0.00448 0.00012 30 4XY -0.00854 -0.00001 0.00027 0.00454 0.00005 31 4XZ 0.00402 -0.00054 0.00162 0.00042 0.00004 32 4YZ -0.00762 0.00548 0.00013 -0.00162 0.00034 33 4 H 1S -0.05771 0.01770 -0.01040 0.00730 0.00307 34 2S -0.05898 0.03769 -0.01145 0.01284 0.00157 35 5 C 1S 0.00597 -0.00436 0.00283 -0.00411 0.00055 36 2S -0.02038 0.01394 -0.01068 0.00852 -0.00122 37 2PX -0.03770 -0.00491 -0.00153 0.03958 -0.00654 38 2PY 0.02417 -0.01849 -0.00564 -0.02545 0.00245 39 2PZ -0.04545 0.03621 -0.01117 -0.01414 0.00490 40 3S -0.00894 -0.03723 -0.02368 0.01302 -0.00039 41 3PX -0.00720 -0.03354 0.00135 0.03089 -0.00409 42 3PY 0.01228 0.01961 0.00591 -0.01855 0.00039 43 3PZ -0.00387 0.00655 -0.00062 -0.02248 0.00388 44 4XX 0.00001 -0.00305 0.00037 0.00162 0.00008 45 4YY 0.00135 0.00079 0.00088 -0.00087 0.00005 46 4ZZ 0.00112 0.00046 -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 0.04153 -0.02563 0.00659 -0.01358 0.00034 51 2S 0.04888 -0.04371 0.01573 -0.01524 0.00109 52 7 C 1S 0.02825 0.00346 0.01062 -0.00234 -0.00045 53 2S -0.03182 -0.01218 -0.00751 0.00645 -0.00045 54 2PX 0.02298 -0.08553 0.01954 0.04463 0.00092 55 2PY 0.03182 0.02906 -0.01165 -0.01710 0.00052 56 2PZ 0.02406 0.03407 0.01762 -0.05609 -0.00105 57 3S -0.04410 0.00579 -0.00615 0.01062 0.00048 58 3PX 0.00579 -0.07057 0.00672 0.04022 0.00074 59 3PY 0.00614 -0.00672 -0.01301 -0.00672 0.00022 60 3PZ 0.01062 0.04022 0.00672 -0.04211 -0.00188 61 4XX 0.00048 0.00074 -0.00022 -0.00188 0.00046 62 4YY 0.00050 0.00168 -0.00039 -0.00021 -0.00016 63 4ZZ 0.00055 -0.00204 0.00018 0.00145 -0.00017 64 4XY -0.00203 0.00098 -0.00099 0.00105 -0.00001 65 4XZ -0.00018 -0.00004 -0.00026 -0.00010 -0.00019 66 4YZ -0.00050 0.00116 0.00007 0.00136 -0.00007 67 8 H 1S 0.00542 0.01175 -0.00990 -0.00326 -0.00021 68 2S 0.01443 0.02816 -0.00401 -0.00905 -0.00090 69 9 C 1S -0.00158 -0.00447 -0.00708 -0.00575 0.00165 70 2S 0.01521 0.01064 0.01664 0.02431 -0.00384 71 2PX -0.03854 0.00012 -0.00296 -0.01547 0.00730 72 2PY -0.03620 -0.00742 -0.01297 -0.05084 0.00065 73 2PZ -0.11065 -0.03883 -0.01883 -0.09079 0.00545 74 3S 0.00026 0.04852 0.02854 -0.00063 -0.00365 75 3PX -0.01152 -0.00164 0.00036 -0.00753 0.00317 76 3PY -0.00988 -0.00132 -0.00475 -0.02377 0.00081 77 3PZ -0.02320 -0.01621 -0.00274 -0.04788 0.00129 78 4XX -0.00464 -0.00411 0.00008 0.00009 0.00055 79 4YY -0.00177 -0.00125 -0.00342 -0.00014 -0.00011 80 4ZZ 0.00861 0.00455 0.00229 -0.00148 -0.00043 81 4XY 0.00248 -0.00119 -0.00060 0.00104 -0.00026 82 4XZ 0.00330 -0.00506 0.00034 0.00512 0.00024 83 4YZ 0.00612 0.00155 -0.00276 0.00415 -0.00030 84 10 H 1S -0.01620 0.00409 0.00731 -0.02954 -0.00244 85 2S -0.01438 0.01446 0.00677 -0.04306 -0.00103 86 11 H 1S -0.03205 -0.01668 0.00582 0.00220 0.00458 87 2S -0.04475 -0.04620 -0.00375 0.01692 0.00610 88 12 C 1S 0.00385 0.00368 0.00396 0.00182 0.00030 89 2S -0.00944 -0.00480 -0.00899 -0.00699 -0.00104 90 2PX 0.01294 -0.00201 0.00016 -0.00416 0.00016 91 2PY 0.02808 0.00941 0.01240 0.02231 0.00101 92 2PZ -0.00622 0.01452 -0.02514 0.02494 0.00235 93 3S -0.01019 -0.04237 -0.02365 0.01383 -0.00084 94 3PX 0.00772 0.00407 0.00202 -0.00495 0.00010 95 3PY 0.01838 0.01155 0.01565 0.00894 0.00038 96 3PZ -0.00339 0.01371 -0.01143 0.01345 0.00079 97 4XX 0.00059 0.00184 -0.00079 -0.00002 0.00012 98 4YY 0.00051 0.00138 0.00036 -0.00117 -0.00021 99 4ZZ -0.00049 -0.00226 0.00067 0.00161 0.00010 100 4XY 0.00113 -0.00075 0.00018 0.00084 -0.00020 101 4XZ -0.00027 0.00192 0.00021 -0.00237 -0.00014 102 4YZ 0.00211 0.00124 0.00039 0.00342 -0.00004 103 13 H 1S -0.00361 -0.00076 -0.00943 0.02497 0.00137 104 2S 0.00098 -0.00617 -0.00178 0.02866 0.00250 105 14 H 1S 0.01103 0.00908 -0.00455 0.00279 -0.00024 106 2S 0.01061 0.02204 -0.00342 -0.00197 -0.00114 107 15 C 1S -0.00427 -0.00078 -0.00191 0.00078 0.00004 108 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 109 2PX -0.01577 -0.00104 -0.00453 0.00865 0.00021 110 2PY -0.00790 0.00266 0.00141 0.00228 0.00035 111 2PZ 0.01036 -0.00060 0.00641 0.00420 -0.00101 112 3S 0.00771 0.00509 0.00322 -0.00672 0.00069 113 3PX -0.00049 0.00104 0.00155 0.00251 -0.00030 114 3PY 0.00406 0.00168 0.00206 -0.00054 -0.00023 115 3PZ -0.00686 -0.00525 -0.00533 0.00992 -0.00113 116 4XX -0.00398 -0.00129 -0.00246 0.00156 0.00006 117 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 118 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 119 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 120 4XZ 0.00051 -0.00013 -0.00009 -0.00040 -0.00006 121 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 122 16 C 1S 0.00479 0.00166 -0.00191 0.00396 -0.00149 123 2S 0.00189 -0.00231 0.00686 -0.00722 0.00264 124 2PX -0.00879 -0.06595 -0.01521 0.05403 -0.00496 125 2PY -0.00296 -0.01543 -0.00272 0.01962 -0.00346 126 2PZ 0.03435 0.06245 0.01960 -0.05024 0.00291 127 3S 0.00634 0.00810 0.01663 -0.00659 0.00472 128 3PX -0.01131 -0.04892 -0.01406 0.04815 -0.00307 129 3PY -0.00142 -0.01364 -0.00006 0.01789 -0.00193 130 3PZ 0.01277 0.04704 0.01041 -0.03220 0.00247 131 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 132 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 133 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 134 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 135 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 136 4YZ 0.00001 -0.00253 0.00115 -0.00021 0.00043 137 17 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 138 2S -0.00631 -0.00581 -0.00158 0.00434 0.00121 139 2PX -0.01556 0.01645 -0.02125 -0.00020 -0.00642 140 2PY 0.00887 0.01834 0.00077 -0.01980 0.00219 141 2PZ 0.00403 -0.02241 0.01483 -0.00082 0.00551 142 3S -0.00131 -0.00671 -0.00008 -0.00728 0.00314 143 3PX -0.00104 0.01960 -0.01035 -0.00997 -0.00457 144 3PY 0.00791 -0.00145 0.00611 -0.00096 0.00247 145 3PZ 0.00823 -0.02259 0.01129 -0.00260 0.00448 146 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 147 4YY 0.00091 0.00000 0.00033 -0.00013 0.00001 148 4ZZ -0.00076 0.00059 -0.00107 -0.00013 -0.00011 149 4XY 0.00075 0.00378 0.00101 -0.00331 0.00023 150 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 151 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 152 18 H 1S -0.01834 -0.00437 -0.01007 0.00827 0.00012 153 2S -0.02970 -0.00959 -0.01786 0.01474 -0.00027 154 19 H 1S -0.01941 -0.02450 -0.00644 0.01187 0.00237 155 2S -0.02512 -0.02494 -0.01127 0.01828 0.00128 156 20 H 1S 0.00326 0.01991 -0.00386 -0.01165 -0.00039 157 2S 0.00517 0.02252 -0.00369 -0.01651 -0.00120 158 21 H 1S 0.02157 0.00373 0.01273 -0.00671 -0.00017 159 2S 0.03435 0.00893 0.02261 -0.01662 0.00052 160 22 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 161 2S -0.01174 0.00062 -0.00710 -0.00261 0.00009 162 2PX 0.01339 -0.00598 0.01719 0.00465 0.00284 163 2PY 0.01503 -0.01029 0.00351 0.00628 -0.00057 164 2PZ -0.00939 -0.00676 -0.01291 0.01134 -0.00300 165 3S -0.02205 -0.00576 -0.01075 0.01416 -0.00127 166 3PX 0.00989 -0.00764 0.01269 0.00164 0.00285 167 3PY 0.01203 -0.00556 0.00296 0.00119 -0.00037 168 3PZ -0.00808 -0.00205 -0.01200 0.00636 -0.00271 169 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 170 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 171 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 172 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 173 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 174 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 175 23 O 1S -0.00071 -0.00229 -0.00275 -0.00410 0.00035 176 2S 0.00712 0.00370 0.00818 0.00912 -0.00046 177 2PX 0.06014 0.03305 0.03526 -0.03603 -0.00293 178 2PY 0.03805 -0.01207 0.00553 -0.01762 -0.00031 179 2PZ -0.09380 -0.02385 -0.05513 0.04421 0.00201 180 3S 0.00110 0.00861 0.00729 0.00834 -0.00246 181 3PX 0.04692 0.02865 0.02790 -0.02875 -0.00148 182 3PY 0.02465 -0.00708 0.00345 -0.01326 -0.00033 183 3PZ -0.06965 -0.02556 -0.04140 0.04032 0.00128 184 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 185 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 186 4ZZ 0.00016 -0.00189 0.00023 0.00145 -0.00001 187 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 188 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 189 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 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 -0.00155 -0.00194 0.00170 17 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 18 3 C 1S 0.00153 0.00017 0.00334 -0.00415 0.00299 19 2S -0.00338 -0.00118 -0.00665 0.00766 -0.00599 20 2PX -0.00154 0.00180 -0.00345 0.00321 -0.00806 21 2PY 0.01234 -0.00099 -0.00259 -0.00661 -0.00166 22 2PZ -0.00144 -0.01328 -0.00806 0.00046 -0.00180 23 3S -0.00597 0.00227 -0.00401 0.00598 -0.00437 24 3PX -0.00072 0.00471 0.00042 0.00115 -0.00323 25 3PY 0.00312 0.00133 0.00006 -0.00283 0.00034 26 3PZ -0.00082 -0.00632 -0.00233 -0.00064 0.00096 27 4XX -0.00024 0.00025 0.00028 -0.00010 0.00001 28 4YY 0.00096 -0.00037 -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 0.00350 0.00387 0.00211 34 2S -0.00515 0.00695 0.00520 0.00176 0.00393 35 5 C 1S -0.00184 0.00071 0.00099 0.00063 0.00075 36 2S 0.00439 -0.00116 -0.00185 -0.00122 -0.00145 37 2PX 0.00163 0.00388 0.00106 0.00247 -0.00231 38 2PY -0.00978 0.00242 0.00569 0.00138 0.00452 39 2PZ 0.00043 -0.00350 -0.00147 -0.00179 0.00111 40 3S 0.00672 -0.00420 -0.00341 -0.00159 -0.00237 41 3PX 0.00057 0.00209 -0.00024 0.00231 -0.00190 42 3PY -0.00498 0.00247 0.00201 0.00038 0.00139 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 0.00058 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 -0.00161 55 2PY -0.00122 0.00074 -0.00097 -0.00024 0.00042 56 2PZ -0.00053 0.00066 -0.00145 0.00002 -0.00128 57 3S 0.00050 0.00055 0.00203 -0.00018 0.00050 58 3PX 0.00168 -0.00204 -0.00098 -0.00004 -0.00116 59 3PY 0.00039 -0.00018 -0.00099 0.00026 0.00007 60 3PZ -0.00021 0.00145 -0.00105 -0.00010 -0.00136 61 4XX -0.00016 -0.00017 0.00001 -0.00019 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 -0.00022 0.00041 68 2S 0.00150 -0.00030 -0.00078 -0.00062 0.00057 69 9 C 1S 0.00168 -0.00512 -0.00133 -0.00200 -0.00340 70 2S -0.00346 0.00885 0.00249 0.00367 0.00664 71 2PX 0.00096 -0.00570 0.00081 0.00911 -0.00319 72 2PY 0.00950 -0.00773 0.00065 -0.00272 0.00439 73 2PZ 0.00364 0.00068 -0.00406 -0.00358 -0.00854 74 3S -0.00684 0.01172 0.00382 0.00372 0.00655 75 3PX 0.00064 -0.00266 0.00044 0.00422 -0.00139 76 3PY 0.00362 -0.00391 -0.00012 -0.00107 0.00182 77 3PZ 0.00256 -0.00033 -0.00239 -0.00117 -0.00426 78 4XX -0.00029 0.00004 -0.00017 0.00026 -0.00039 79 4YY 0.00085 -0.00055 0.00004 -0.00019 0.00020 80 4ZZ -0.00039 0.00029 -0.00001 -0.00011 -0.00009 81 4XY 0.00005 0.00009 -0.00006 -0.00038 0.00013 82 4XZ -0.00016 -0.00052 -0.00012 0.00062 0.00011 83 4YZ 0.00031 -0.00033 0.00008 0.00002 0.00031 84 10 H 1S -0.00242 0.00811 -0.00106 -0.00402 -0.00144 85 2S -0.00166 0.00534 -0.00102 -0.00503 -0.00280 86 11 H 1S -0.00287 0.00116 -0.00002 0.00707 -0.00220 87 2S -0.00199 -0.00220 -0.00147 0.00575 -0.00328 88 12 C 1S -0.00148 0.00048 -0.00034 0.00008 -0.00110 89 2S 0.00319 -0.00116 0.00074 -0.00025 0.00199 90 2PX -0.00054 0.00018 0.00001 -0.00082 -0.00032 91 2PY -0.00818 0.00392 -0.00173 0.00099 -0.00724 92 2PZ -0.00101 0.00006 -0.00056 -0.00056 -0.00107 93 3S 0.00541 -0.00338 0.00077 -0.00033 0.00250 94 3PX -0.00059 0.00022 0.00018 -0.00058 -0.00018 95 3PY -0.00566 0.00313 -0.00045 0.00110 -0.00318 96 3PZ 0.00002 -0.00023 -0.00014 -0.00060 -0.00055 97 4XX -0.00023 0.00006 -0.00006 -0.00005 -0.00021 98 4YY 0.00009 0.00022 0.00008 0.00008 0.00034 99 4ZZ -0.00009 -0.00005 -0.00001 0.00003 -0.00021 100 4XY -0.00003 0.00016 -0.00002 -0.00028 0.00007 101 4XZ -0.00003 0.00008 -0.00002 0.00001 0.00004 102 4YZ -0.00020 0.00002 0.00012 0.00009 0.00018 103 13 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 104 2S -0.00204 -0.00038 0.00006 0.00099 -0.00117 105 14 H 1S -0.00155 0.00123 -0.00018 -0.00082 -0.00098 106 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 107 15 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 108 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 109 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 110 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 111 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 112 3S -0.00020 -0.00002 0.00016 -0.00112 0.00013 113 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 114 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 115 3PZ 0.00041 0.00050 -0.00026 0.00024 0.00028 116 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 117 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 118 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 119 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 120 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 121 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 122 16 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 123 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 124 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 125 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 126 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 127 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 128 3PX 0.00184 -0.00014 -0.00135 0.00369 0.00132 129 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 130 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 131 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 132 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 133 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 134 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 135 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 136 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 137 17 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 138 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 139 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 140 2PY -0.00126 -0.00002 -0.00057 -0.00109 0.00046 141 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 142 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 143 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 144 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 145 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 146 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 147 4YY 0.00000 -0.00004 0.00002 -0.00003 -0.00001 148 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 149 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 150 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 151 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 152 18 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 153 2S 0.00042 0.00041 -0.00035 0.00087 0.00013 154 19 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 155 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 156 20 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 157 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 158 21 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 159 2S -0.00042 -0.00083 0.00028 -0.00005 -0.00029 160 22 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 161 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 162 2PX -0.00074 -0.00252 0.00087 -0.00148 -0.00036 163 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 164 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 165 3S 0.00029 0.00152 0.00019 0.00050 0.00001 166 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 167 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 168 3PZ 0.00102 0.00155 -0.00056 0.00155 0.00033 169 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 170 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 171 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 172 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 173 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 174 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 175 23 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 176 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 177 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 178 2PY 0.00000 -0.00001 -0.00031 0.00046 -0.00005 179 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 180 3S 0.00010 0.00027 -0.00047 0.00070 -0.00071 181 3PX -0.00019 0.00035 0.00083 -0.00011 0.00009 182 3PY 0.00005 0.00007 -0.00030 0.00019 -0.00017 183 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 184 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 185 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 186 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 187 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 188 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 189 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 16 17 18 19 20 16 2 H 1S 0.21713 17 2S 0.17586 0.16496 18 3 C 1S 0.01211 0.01361 2.05271 19 2S -0.02453 -0.02471 -0.06213 0.32496 20 2PX -0.02455 -0.04780 0.00133 0.00226 0.36896 21 2PY 0.03575 0.07142 0.00053 0.00162 0.00011 22 2PZ -0.01201 -0.01045 -0.00083 0.00777 0.03332 23 3S -0.06201 -0.05922 -0.16067 0.24766 -0.01951 24 3PX -0.01713 -0.02896 0.00664 -0.02275 0.18141 25 3PY 0.00229 0.00593 0.00378 -0.01621 0.01321 26 3PZ -0.00667 -0.00120 0.00494 -0.01459 -0.05969 27 4XX -0.00145 -0.00308 -0.01431 -0.00947 0.00801 28 4YY 0.00806 0.00889 -0.01700 -0.00308 -0.00427 29 4ZZ -0.00273 -0.00329 -0.01612 -0.00535 -0.00689 30 4XY -0.00411 -0.00215 -0.00088 0.00123 -0.00498 31 4XZ -0.00313 -0.00474 -0.00455 0.00944 -0.00068 32 4YZ -0.00349 -0.00262 -0.00203 0.00342 -0.00949 33 4 H 1S -0.02289 -0.02758 -0.06016 0.11224 -0.13264 34 2S -0.02724 -0.03410 -0.01303 0.02496 -0.12150 35 5 C 1S -0.00849 -0.01195 0.01672 -0.03254 0.00479 36 2S 0.01865 0.02528 -0.03254 0.05577 -0.01028 37 2PX 0.00146 0.01055 0.00479 -0.01028 0.11575 38 2PY -0.03521 -0.06878 0.07797 -0.16058 0.00849 39 2PZ 0.00130 0.00305 -0.00359 0.00091 -0.08835 40 3S 0.05609 0.06422 -0.00468 0.03450 -0.00798 41 3PX 0.00088 0.00665 0.00094 0.00532 0.08532 42 3PY -0.03258 -0.04800 0.01400 -0.04349 0.01551 43 3PZ -0.00069 -0.00210 -0.00371 0.00939 -0.04785 44 4XX -0.00029 -0.00007 0.00249 -0.00552 0.00010 45 4YY -0.00127 -0.00118 -0.00695 0.01218 0.00108 46 4ZZ -0.00082 -0.00192 0.00269 -0.00612 0.00091 47 4XY 0.00167 0.00249 -0.00016 -0.00021 -0.01297 48 4XZ -0.00027 -0.00048 0.00058 -0.00150 0.00061 49 4YZ 0.00090 0.00055 -0.00018 -0.00010 -0.00005 50 6 H 1S -0.00941 -0.02008 0.01228 -0.02562 0.01875 51 2S -0.01833 -0.02682 0.01464 -0.02568 0.03388 52 7 C 1S -0.00252 -0.00361 -0.00340 0.00831 0.00083 53 2S 0.00795 0.01394 0.00823 -0.01879 -0.00174 54 2PX 0.01088 0.03433 -0.00832 0.02655 -0.00639 55 2PY -0.00924 -0.02542 -0.01167 0.02675 0.00246 56 2PZ -0.00291 -0.00578 -0.00446 0.01369 0.02038 57 3S 0.00542 0.01443 0.00597 -0.02038 -0.03769 58 3PX 0.01175 0.02816 -0.00436 0.01394 -0.00491 59 3PY 0.00990 0.00401 -0.00283 0.01068 0.00153 60 3PZ -0.00326 -0.00905 -0.00411 0.00852 0.03958 61 4XX -0.00021 -0.00090 0.00055 -0.00122 -0.00654 62 4YY 0.00086 0.00150 -0.00184 0.00439 0.00163 63 4ZZ -0.00008 -0.00030 0.00071 -0.00116 0.00388 64 4XY 0.00059 0.00078 -0.00099 0.00185 -0.00106 65 4XZ -0.00022 -0.00062 0.00063 -0.00122 0.00247 66 4YZ -0.00041 -0.00057 -0.00075 0.00145 0.00231 67 8 H 1S 0.00159 -0.00152 -0.00849 0.01865 0.00146 68 2S -0.00152 -0.00431 -0.01195 0.02528 0.01056 69 9 C 1S 0.01166 0.01409 -0.00300 0.00562 0.00514 70 2S -0.02374 -0.02635 0.00650 -0.01506 -0.01443 71 2PX 0.00668 0.01506 -0.00839 0.02186 -0.00070 72 2PY 0.03133 0.05916 -0.00131 0.00319 0.00228 73 2PZ 0.03239 0.06668 -0.01208 0.03132 0.04903 74 3S -0.06426 -0.06879 0.00759 -0.01648 0.00176 75 3PX 0.00613 0.00961 -0.00454 0.00903 -0.00130 76 3PY 0.00753 0.01769 -0.00411 0.00872 0.00734 77 3PZ 0.02545 0.03802 -0.00802 0.01863 0.04076 78 4XX -0.00156 -0.00043 -0.00114 0.00235 -0.00086 79 4YY 0.00650 0.00718 0.00068 -0.00152 -0.00310 80 4ZZ -0.00183 -0.00457 -0.00030 0.00017 0.00630 81 4XY 0.00121 0.00058 0.00024 -0.00073 -0.00134 82 4XZ -0.00093 -0.00158 -0.00130 0.00293 -0.00157 83 4YZ 0.00478 0.00206 0.00054 -0.00141 -0.00384 84 10 H 1S -0.00897 -0.00497 0.00158 -0.00347 0.02933 85 2S -0.00567 -0.00227 0.00142 -0.00405 0.02929 86 11 H 1S -0.01340 -0.00728 -0.00759 0.01927 0.00234 87 2S -0.01059 -0.00004 -0.01116 0.02904 -0.00204 88 12 C 1S -0.00717 -0.00907 -0.00267 0.00503 0.00128 89 2S 0.01458 0.01876 0.00479 -0.00883 0.00214 90 2PX -0.00151 -0.00484 -0.00207 0.00443 -0.00674 91 2PY -0.03618 -0.06045 -0.00390 0.00856 0.02849 92 2PZ -0.00435 -0.01994 -0.00787 0.01255 -0.01133 93 3S 0.04599 0.05206 0.01324 -0.02297 -0.02356 94 3PX -0.00396 -0.00611 -0.00105 0.00171 -0.00051 95 3PY -0.03698 -0.04915 -0.00348 0.00737 0.02761 96 3PZ -0.00019 -0.00659 -0.00485 0.00736 -0.00615 97 4XX -0.00081 -0.00228 -0.00029 0.00034 -0.00037 98 4YY -0.00011 0.00023 -0.00010 0.00024 0.00060 99 4ZZ -0.00001 0.00044 0.00024 -0.00041 0.00010 100 4XY -0.00029 -0.00036 0.00007 -0.00035 -0.00023 101 4XZ -0.00020 -0.00044 0.00019 -0.00044 0.00102 102 4YZ -0.00198 -0.00306 0.00020 -0.00082 -0.00129 103 13 H 1S -0.00529 -0.01306 -0.00137 0.00184 -0.00285 104 2S -0.01224 -0.01808 -0.00228 0.00336 -0.01502 105 14 H 1S -0.00724 -0.01829 -0.00059 0.00017 0.00193 106 2S -0.01154 -0.02512 -0.00092 -0.00024 0.00532 107 15 C 1S 0.00003 0.00032 -0.00034 0.00050 0.00186 108 2S -0.00057 -0.00251 0.00067 -0.00179 -0.00525 109 2PX -0.00048 0.00236 -0.00089 0.00226 0.00498 110 2PY -0.00079 0.00311 -0.00109 0.00156 0.00103 111 2PZ 0.00233 0.00527 0.00031 0.00003 0.00697 112 3S -0.00148 -0.00319 0.00165 -0.00332 -0.01103 113 3PX -0.00031 0.00078 0.00030 -0.00055 0.00236 114 3PY 0.00086 0.00100 -0.00028 0.00057 0.00141 115 3PZ 0.00146 0.00219 -0.00027 0.00123 0.01151 116 4XX -0.00016 -0.00032 -0.00023 0.00067 0.00161 117 4YY 0.00008 0.00021 0.00009 -0.00031 -0.00023 118 4ZZ 0.00006 0.00022 0.00007 -0.00029 -0.00126 119 4XY -0.00003 0.00011 -0.00002 0.00031 -0.00120 120 4XZ 0.00021 0.00000 -0.00002 0.00015 0.00061 121 4YZ 0.00029 -0.00036 0.00011 -0.00011 0.00132 122 16 C 1S 0.00408 0.00292 -0.00178 0.00269 0.00920 123 2S -0.00634 -0.00297 0.00265 -0.00452 -0.02100 124 2PX 0.01727 0.02259 -0.00503 0.01913 0.03137 125 2PY 0.01446 0.01732 -0.00170 0.00504 0.01828 126 2PZ -0.00486 -0.01181 0.00224 -0.00609 -0.00582 127 3S -0.02949 -0.02846 0.00362 -0.01131 -0.05397 128 3PX 0.01403 0.01789 -0.00660 0.01009 0.00586 129 3PY -0.00485 -0.00477 -0.00256 0.00680 0.01975 130 3PZ -0.00815 -0.01338 0.00154 -0.01149 -0.02472 131 4XX 0.00033 -0.00067 -0.00079 0.00083 0.00598 132 4YY 0.00113 0.00161 -0.00013 -0.00023 -0.00212 133 4ZZ -0.00055 -0.00050 -0.00029 0.00012 -0.00135 134 4XY 0.00137 0.00017 0.00016 -0.00026 0.00434 135 4XZ -0.00012 0.00046 -0.00048 0.00093 -0.00196 136 4YZ -0.00127 -0.00062 0.00029 -0.00044 -0.00517 137 17 C 1S -0.00154 -0.00261 -0.00069 0.00137 0.01089 138 2S 0.00206 0.00376 0.00058 -0.00173 -0.02273 139 2PX 0.00479 -0.00464 -0.00297 0.00820 0.07782 140 2PY -0.00970 -0.01643 -0.00009 -0.00136 -0.01163 141 2PZ -0.00401 0.00638 0.00128 -0.00390 -0.05907 142 3S 0.02037 0.02622 0.00390 -0.00677 -0.05257 143 3PX 0.00386 -0.00368 -0.00129 0.00638 0.05986 144 3PY -0.01136 -0.01246 -0.00151 0.00183 -0.02888 145 3PZ -0.00076 0.00671 0.00188 -0.00093 -0.04678 146 4XX -0.00022 0.00028 -0.00022 0.00029 0.00077 147 4YY 0.00017 0.00015 -0.00006 0.00020 -0.00040 148 4ZZ -0.00023 -0.00083 -0.00029 0.00039 0.00168 149 4XY -0.00116 -0.00147 0.00007 -0.00073 -0.00112 150 4XZ -0.00024 -0.00089 -0.00015 0.00017 0.00113 151 4YZ 0.00057 0.00104 -0.00021 0.00063 0.00166 152 18 H 1S -0.00050 -0.00051 -0.00094 0.00273 0.00763 153 2S 0.00055 0.00035 -0.00199 0.00547 0.01684 154 19 H 1S -0.00805 -0.00416 0.00083 -0.00296 -0.02683 155 2S -0.00435 -0.00116 0.00005 -0.00132 -0.01968 156 20 H 1S -0.00202 -0.00894 0.00040 -0.00107 0.00591 157 2S -0.00285 -0.01063 0.00059 -0.00059 0.02537 158 21 H 1S 0.00045 0.00163 0.00063 -0.00138 -0.00487 159 2S 0.00001 0.00218 0.00066 -0.00226 -0.01323 160 22 O 1S 0.00027 0.00064 0.00003 0.00038 -0.00239 161 2S -0.00065 -0.00182 0.00010 -0.00105 0.00426 162 2PX -0.00042 0.00852 0.00146 -0.00392 -0.04302 163 2PY 0.00414 0.00308 0.00082 0.00067 0.00102 164 2PZ 0.00615 0.00134 -0.00083 0.00296 0.03260 165 3S -0.00284 -0.00272 -0.00062 -0.00217 0.01711 166 3PX 0.00000 0.00714 0.00134 -0.00261 -0.03878 167 3PY 0.00403 0.00308 0.00076 0.00013 0.00031 168 3PZ 0.00529 0.00040 -0.00103 0.00346 0.03012 169 4XX -0.00014 0.00008 0.00009 -0.00010 -0.00275 170 4YY 0.00004 -0.00003 0.00004 0.00005 -0.00045 171 4ZZ 0.00006 -0.00024 0.00015 -0.00011 0.00128 172 4XY 0.00017 -0.00002 -0.00003 0.00009 0.00141 173 4XZ 0.00000 -0.00006 0.00002 -0.00004 0.00042 174 4YZ 0.00008 0.00028 -0.00002 0.00009 -0.00003 175 23 O 1S 0.00030 -0.00252 0.00025 -0.00140 -0.00322 176 2S -0.00116 0.00539 -0.00129 0.00318 0.00264 177 2PX 0.00314 -0.00053 0.00317 -0.01246 -0.00852 178 2PY 0.00246 -0.00904 0.00082 0.00223 0.00005 179 2PZ -0.00083 -0.00038 -0.00062 0.00105 0.00172 180 3S 0.00162 0.01045 0.00114 0.00790 0.03873 181 3PX 0.00071 -0.00212 0.00189 -0.01050 -0.01370 182 3PY 0.00216 -0.00531 0.00093 0.00179 0.00430 183 3PZ 0.00107 0.00269 -0.00173 0.00208 -0.00206 184 4XX -0.00078 -0.00088 -0.00008 -0.00055 -0.00230 185 4YY 0.00045 -0.00030 -0.00033 -0.00005 -0.00142 186 4ZZ -0.00011 0.00018 -0.00035 0.00000 -0.00131 187 4XY 0.00008 -0.00009 0.00003 -0.00064 -0.00059 188 4XZ -0.00013 0.00014 0.00017 0.00006 0.00018 189 4YZ -0.00054 -0.00048 -0.00007 -0.00021 -0.00132 21 22 23 24 25 21 2PY 0.41335 22 2PZ -0.00266 0.39023 23 3S 0.01122 -0.02946 0.25010 24 3PX 0.01273 -0.07523 -0.00529 0.12000 25 3PY 0.13842 -0.02578 0.00772 0.02131 0.06237 26 3PZ -0.00573 0.16793 -0.01272 -0.06577 -0.01395 27 4XX -0.00593 -0.00344 -0.00562 0.00526 0.00006 28 4YY 0.01307 -0.00040 -0.00311 -0.00157 0.00297 29 4ZZ -0.01026 -0.00257 -0.00246 -0.00263 -0.00301 30 4XY 0.00024 -0.01075 0.00261 0.00016 -0.00037 31 4XZ -0.00920 -0.00219 0.00814 -0.00040 -0.00261 32 4YZ -0.00196 -0.01031 0.00706 -0.00159 0.00072 33 4 H 1S -0.13076 -0.18749 0.11509 -0.03241 -0.03912 34 2S -0.11785 -0.18087 0.05423 -0.01788 -0.02558 35 5 C 1S -0.07797 -0.00359 -0.00467 0.00094 -0.01400 36 2S 0.16058 0.00092 0.03450 0.00532 0.04348 37 2PX -0.00850 -0.08835 -0.00798 0.08532 -0.01551 38 2PY -0.31236 -0.00040 -0.12660 0.01486 -0.09114 39 2PZ 0.00039 0.08703 0.05753 -0.03725 0.01191 40 3S 0.12660 0.05753 -0.01750 -0.01591 0.01404 41 3PX -0.01486 -0.03725 -0.01591 0.04729 -0.01987 42 3PY -0.09114 -0.01191 -0.01404 0.01987 -0.01363 43 3PZ -0.01855 0.07392 0.02529 -0.03343 -0.00058 44 4XX -0.00873 -0.00017 -0.00630 -0.00086 -0.00383 45 4YY 0.00580 0.00050 0.01205 -0.00009 0.00269 46 4ZZ -0.00925 -0.00155 -0.00574 0.00114 -0.00259 47 4XY -0.00146 0.00018 0.00225 -0.00623 -0.00083 48 4XZ -0.00312 0.00043 -0.00359 0.00029 -0.00186 49 4YZ 0.00022 -0.01358 0.00428 0.00435 0.00192 50 6 H 1S -0.04294 0.01319 -0.06038 -0.00249 -0.01989 51 2S -0.08633 0.03937 -0.06760 -0.00572 -0.03824 52 7 C 1S 0.01224 0.00587 -0.00303 -0.00672 0.00510 53 2S -0.03290 -0.01501 -0.01977 0.00622 -0.01885 54 2PX 0.03169 0.02711 -0.05034 -0.04989 -0.02124 55 2PY 0.03374 0.00710 0.09132 0.00084 0.05079 56 2PZ 0.01505 -0.00551 -0.01050 0.00962 0.00765 57 3S -0.02417 -0.04545 -0.00894 -0.00720 -0.01228 58 3PX 0.01849 0.03621 -0.03723 -0.03354 -0.01960 59 3PY -0.00564 0.01117 0.02368 -0.00135 0.00591 60 3PZ 0.02545 -0.01414 0.01302 0.03089 0.01855 61 4XX -0.00245 0.00490 -0.00039 -0.00409 -0.00039 62 4YY 0.00978 0.00043 0.00672 0.00057 0.00498 63 4ZZ -0.00241 -0.00350 -0.00420 0.00209 -0.00247 64 4XY 0.00569 0.00147 0.00341 0.00024 0.00201 65 4XZ -0.00138 -0.00179 -0.00159 0.00231 -0.00038 66 4YZ 0.00452 -0.00111 0.00237 0.00190 0.00139 67 8 H 1S 0.03521 0.00130 0.05609 0.00089 0.03258 68 2S 0.06878 0.00305 0.06423 0.00666 0.04800 69 9 C 1S -0.00155 0.01145 0.00523 0.00086 -0.00403 70 2S 0.00592 -0.02805 -0.00899 0.00033 0.00849 71 2PX -0.01087 0.03289 0.02770 -0.00835 -0.02935 72 2PY 0.00421 0.00689 -0.00917 -0.00778 0.00647 73 2PZ -0.00703 0.02308 0.00220 0.01027 -0.03196 74 3S -0.01090 -0.07811 0.01673 0.02532 0.02144 75 3PX -0.00744 0.01496 0.00631 -0.00640 -0.01540 76 3PY 0.00450 0.02097 0.01092 -0.00283 0.00708 77 3PZ 0.00837 0.02260 -0.00609 0.00785 -0.01123 78 4XX -0.00219 0.00525 0.00156 -0.00185 -0.00296 79 4YY 0.00171 -0.00200 -0.00276 -0.00146 -0.00003 80 4ZZ -0.00096 -0.00132 0.00089 0.00367 0.00188 81 4XY -0.00013 0.00012 -0.00124 -0.00085 0.00104 82 4XZ -0.00304 0.00928 0.00203 -0.00284 -0.00236 83 4YZ 0.00173 -0.00056 0.00073 -0.00128 0.00183 84 10 H 1S 0.00309 -0.02866 -0.01230 0.01935 0.00436 85 2S -0.00013 -0.02535 -0.01121 0.01788 0.00456 86 11 H 1S -0.01533 0.03244 0.01770 -0.00667 -0.02873 87 2S -0.02105 0.07097 0.02303 -0.01667 -0.03781 88 12 C 1S 0.00375 0.00577 0.01091 0.00010 0.00349 89 2S -0.00681 -0.01508 -0.02105 0.00217 -0.00597 90 2PX 0.00762 0.00880 0.01309 -0.00581 0.01726 91 2PY -0.01160 0.00380 0.01906 0.01994 -0.00708 92 2PZ 0.02367 0.02038 0.07871 0.00220 0.02449 93 3S -0.03017 -0.00946 -0.06110 -0.01893 -0.02945 94 3PX 0.00182 0.00166 0.00819 -0.00075 0.00912 95 3PY -0.00891 -0.00192 0.01690 0.01748 -0.00055 96 3PZ 0.02432 0.00453 0.04098 0.00210 0.01698 97 4XX -0.00022 0.00077 0.00343 0.00067 0.00109 98 4YY 0.00192 -0.00177 0.00111 0.00062 0.00183 99 4ZZ -0.00197 0.00059 -0.00283 -0.00075 -0.00254 100 4XY 0.00100 -0.00059 -0.00078 -0.00013 0.00123 101 4XZ -0.00088 -0.00064 0.00000 0.00164 0.00060 102 4YZ 0.00015 -0.00008 0.00127 0.00001 0.00086 103 13 H 1S -0.00018 0.00657 0.02055 0.00050 -0.00488 104 2S -0.00379 0.01956 0.01847 -0.01192 -0.00768 105 14 H 1S 0.00229 -0.00061 0.01949 0.00704 0.01408 106 2S 0.00698 -0.00760 0.02802 0.01615 0.02154 107 15 C 1S -0.00057 -0.00048 0.00279 0.00243 -0.00033 108 2S 0.00021 0.00168 -0.00557 -0.00496 0.00172 109 2PX -0.00063 -0.00144 0.01185 0.00676 -0.00378 110 2PY -0.00156 0.00201 0.00972 0.00403 -0.00216 111 2PZ 0.00135 -0.00801 -0.00517 0.00459 0.00088 112 3S 0.00436 0.00235 -0.00761 -0.00955 0.00351 113 3PX -0.00139 -0.00356 0.00088 0.00233 -0.00134 114 3PY -0.00024 -0.00166 -0.00171 0.00067 -0.00043 115 3PZ 0.00190 -0.00959 0.00308 0.01174 0.00035 116 4XX -0.00012 -0.00048 0.00206 0.00194 -0.00033 117 4YY 0.00001 0.00004 0.00078 0.00019 -0.00022 118 4ZZ -0.00012 0.00031 -0.00281 -0.00202 0.00041 119 4XY -0.00028 0.00135 -0.00118 -0.00160 -0.00109 120 4XZ 0.00025 -0.00047 -0.00047 0.00030 0.00028 121 4YZ 0.00029 -0.00148 -0.00189 0.00040 0.00074 122 16 C 1S 0.00007 -0.00379 0.00660 0.00950 -0.00149 123 2S 0.00007 0.01059 -0.01526 -0.02241 0.00030 124 2PX 0.00231 -0.00561 -0.01133 0.02166 -0.01372 125 2PY 0.00155 -0.01159 0.00914 0.01859 -0.00229 126 2PZ -0.00214 -0.00874 -0.00464 -0.01002 0.00721 127 3S 0.00009 0.02765 -0.00267 -0.04286 0.01053 128 3PX 0.00333 0.00107 -0.00189 0.00790 -0.00921 129 3PY -0.00114 -0.01112 0.00725 0.01495 -0.00065 130 3PZ -0.00222 -0.00968 0.00411 -0.01273 0.00996 131 4XX 0.00039 -0.00412 -0.00147 0.00315 0.00123 132 4YY 0.00021 0.00109 0.00113 -0.00074 -0.00027 133 4ZZ 0.00021 0.00082 0.00123 -0.00018 -0.00052 134 4XY 0.00101 -0.00386 0.00143 0.00423 0.00158 135 4XZ -0.00047 0.00187 -0.00108 -0.00206 -0.00124 136 4YZ -0.00091 0.00430 -0.00187 -0.00491 -0.00049 137 17 C 1S 0.00262 -0.00738 0.00207 0.00808 0.00240 138 2S -0.00401 0.01701 0.00404 -0.01433 -0.00315 139 2PX 0.01577 -0.05629 0.03491 0.07600 0.02114 140 2PY -0.00430 0.01177 -0.00095 -0.01105 0.00159 141 2PZ -0.01022 0.04328 -0.02183 -0.05768 -0.01045 142 3S -0.01291 0.03694 -0.01673 -0.04060 -0.01633 143 3PX 0.01205 -0.04004 0.01873 0.05288 0.01493 144 3PY -0.00198 0.02421 0.00030 -0.02556 0.00054 145 3PZ -0.01428 0.04463 -0.02370 -0.04984 -0.01446 146 4XX 0.00019 0.00000 -0.00099 -0.00035 -0.00038 147 4YY 0.00036 0.00041 -0.00034 -0.00066 0.00015 148 4ZZ 0.00028 -0.00081 0.00145 0.00195 0.00056 149 4XY -0.00003 -0.00003 0.00062 -0.00072 0.00100 150 4XZ 0.00034 -0.00071 0.00230 0.00173 0.00120 151 4YZ 0.00047 -0.00061 0.00015 0.00124 -0.00023 152 18 H 1S 0.00023 -0.00253 0.01090 0.00930 -0.00200 153 2S 0.00112 -0.00555 0.01797 0.01862 -0.00258 154 19 H 1S -0.00212 0.02058 -0.00649 -0.02164 -0.00339 155 2S -0.00411 0.00494 -0.00200 -0.01156 -0.00512 156 20 H 1S -0.00079 -0.00432 0.00813 0.00940 0.00345 157 2S -0.00061 -0.01694 0.00618 0.02184 0.00528 158 21 H 1S -0.00007 0.00085 -0.01205 -0.00794 0.00186 159 2S -0.00430 0.00872 -0.01736 -0.01860 0.00056 160 22 O 1S -0.00041 0.00198 -0.00543 -0.00315 -0.00232 161 2S 0.00032 -0.00298 0.01365 0.00674 0.00621 162 2PX -0.00710 0.03014 -0.02272 -0.04386 -0.01549 163 2PY -0.00082 -0.00200 -0.01674 -0.00767 -0.00398 164 2PZ 0.00412 -0.02206 0.01045 0.03158 0.00333 165 3S 0.00387 -0.01807 0.01897 0.01955 0.00642 166 3PX -0.00824 0.03032 -0.01853 -0.03921 -0.01308 167 3PY -0.00031 -0.00157 -0.01304 -0.00583 -0.00227 168 3PZ 0.00421 -0.01983 0.01212 0.02959 0.00471 169 4XX -0.00069 0.00236 -0.00048 -0.00241 -0.00063 170 4YY -0.00012 0.00073 0.00033 -0.00017 0.00018 171 4ZZ -0.00009 -0.00096 -0.00012 0.00105 0.00029 172 4XY 0.00026 -0.00123 0.00099 0.00170 0.00061 173 4XZ 0.00002 -0.00035 0.00059 0.00058 0.00016 174 4YZ 0.00013 0.00002 0.00005 -0.00005 -0.00005 175 23 O 1S 0.00047 0.00086 0.00079 -0.00142 0.00426 176 2S -0.00153 0.00028 -0.00745 -0.00210 -0.00989 177 2PX 0.00185 -0.00690 -0.01266 -0.00817 0.01628 178 2PY 0.00070 -0.00066 -0.03844 -0.01578 0.00469 179 2PZ 0.00194 0.00447 0.04572 0.02054 -0.00926 180 3S -0.00182 -0.01427 0.00170 0.02452 -0.01278 181 3PX 0.00021 -0.00372 -0.01067 -0.01123 0.01247 182 3PY 0.00012 -0.00181 -0.02536 -0.00767 0.00281 183 3PZ 0.00177 0.00527 0.03137 0.01283 -0.00865 184 4XX -0.00019 0.00099 0.00069 -0.00147 0.00013 185 4YY -0.00003 0.00070 -0.00216 -0.00173 0.00044 186 4ZZ -0.00040 0.00115 -0.00044 -0.00103 -0.00032 187 4XY 0.00017 -0.00032 0.00004 -0.00020 0.00066 188 4XZ -0.00001 0.00009 -0.00101 -0.00032 -0.00012 189 4YZ -0.00016 0.00089 0.00164 -0.00030 -0.00037 26 27 28 29 30 26 3PZ 0.09329 27 4XX -0.00248 0.00092 28 4YY 0.00079 -0.00023 0.00114 29 4ZZ 0.00046 0.00022 -0.00019 0.00089 30 4XY -0.00330 -0.00019 0.00000 0.00032 0.00095 31 4XZ -0.00111 -0.00007 -0.00048 0.00026 0.00017 32 4YZ -0.00212 0.00003 -0.00014 0.00011 0.00042 33 4 H 1S -0.05972 -0.00192 -0.00407 0.00550 0.00785 34 2S -0.05145 0.00069 -0.00362 0.00647 0.00774 35 5 C 1S -0.00371 0.00249 -0.00695 0.00269 0.00016 36 2S 0.00939 -0.00552 0.01218 -0.00612 0.00021 37 2PX -0.04785 0.00010 0.00108 0.00091 0.01297 38 2PY 0.01855 0.00873 -0.00580 0.00925 -0.00146 39 2PZ 0.07392 -0.00017 0.00050 -0.00155 -0.00018 40 3S 0.02529 -0.00630 0.01205 -0.00574 -0.00225 41 3PX -0.03344 -0.00086 -0.00009 0.00114 0.00623 42 3PY 0.00058 0.00383 -0.00269 0.00259 -0.00083 43 3PZ 0.04481 0.00015 -0.00090 -0.00105 -0.00341 44 4XX 0.00015 0.00022 -0.00029 0.00036 0.00031 45 4YY -0.00090 -0.00029 -0.00016 -0.00028 -0.00013 46 4ZZ -0.00105 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 -0.00279 0.00081 0.00186 0.00080 -0.00512 51 2S 0.00226 0.00160 -0.00151 0.00192 -0.00529 52 7 C 1S -0.00511 0.00018 -0.00096 -0.00025 -0.00180 53 2S -0.00130 -0.00040 0.00214 0.00080 0.00376 54 2PX -0.00966 -0.00314 -0.00147 0.00075 0.00179 55 2PY -0.00106 0.00096 -0.00421 -0.00076 -0.00591 56 2PZ -0.02947 0.00187 -0.00324 -0.00147 -0.00819 57 3S -0.00387 0.00001 0.00135 0.00112 0.00563 58 3PX 0.00655 -0.00305 0.00079 0.00046 0.00236 59 3PY 0.00062 -0.00037 -0.00088 0.00001 -0.00276 60 3PZ -0.02248 0.00162 -0.00087 -0.00208 -0.00456 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 -0.00069 -0.00029 -0.00127 -0.00082 -0.00167 68 2S -0.00210 -0.00007 -0.00118 -0.00192 -0.00249 69 9 C 1S 0.00806 -0.00046 0.00081 -0.00156 -0.00079 70 2S -0.01522 0.00036 -0.00158 0.00302 0.00173 71 2PX 0.02850 -0.00027 0.00138 -0.00377 -0.00102 72 2PY 0.00236 -0.00009 0.00124 -0.00210 -0.00250 73 2PZ -0.00729 -0.00133 0.00397 -0.00733 -0.00401 74 3S -0.03851 0.00276 -0.00435 0.00350 0.00172 75 3PX 0.01190 -0.00006 0.00070 -0.00170 -0.00039 76 3PY 0.00932 0.00007 -0.00008 -0.00119 -0.00209 77 3PZ -0.00484 -0.00042 0.00203 -0.00435 -0.00270 78 4XX 0.00260 -0.00019 0.00007 -0.00013 -0.00006 79 4YY -0.00033 -0.00015 0.00035 -0.00005 0.00000 80 4ZZ -0.00192 0.00036 -0.00033 0.00002 -0.00010 81 4XY -0.00037 -0.00004 0.00002 0.00015 0.00001 82 4XZ 0.00494 -0.00027 -0.00010 0.00019 0.00001 83 4YZ 0.00127 -0.00005 0.00011 0.00019 0.00008 84 10 H 1S -0.03019 0.00081 -0.00014 -0.00072 -0.00062 85 2S -0.02563 0.00164 -0.00013 -0.00169 -0.00141 86 11 H 1S 0.01867 -0.00089 0.00033 -0.00156 -0.00015 87 2S 0.03879 -0.00252 0.00077 -0.00124 -0.00046 88 12 C 1S 0.00343 0.00000 -0.00020 -0.00037 0.00004 89 2S -0.00990 0.00002 0.00036 0.00057 -0.00040 90 2PX 0.00097 0.00032 0.00065 -0.00085 -0.00037 91 2PY -0.00331 0.00082 -0.00190 0.00047 0.00034 92 2PZ 0.03398 -0.00066 0.00059 -0.00074 0.00159 93 3S -0.00436 -0.00151 0.00205 0.00193 0.00050 94 3PX -0.00003 0.00052 -0.00004 -0.00043 -0.00021 95 3PY -0.00540 0.00108 -0.00223 0.00055 0.00015 96 3PZ 0.01557 -0.00033 0.00057 -0.00069 0.00145 97 4XX 0.00115 0.00006 0.00000 -0.00005 -0.00006 98 4YY -0.00139 0.00004 -0.00008 0.00000 -0.00012 99 4ZZ 0.00033 -0.00006 0.00004 0.00005 0.00026 100 4XY -0.00081 -0.00002 0.00002 0.00008 0.00008 101 4XZ -0.00082 0.00009 0.00005 -0.00005 -0.00014 102 4YZ 0.00131 0.00003 -0.00008 0.00019 0.00027 103 13 H 1S 0.01533 -0.00054 -0.00031 0.00069 0.00159 104 2S 0.02316 -0.00055 -0.00064 0.00071 0.00181 105 14 H 1S 0.00038 0.00055 0.00013 -0.00008 0.00000 106 2S -0.00397 0.00080 0.00006 -0.00013 -0.00028 107 15 C 1S -0.00011 -0.00014 -0.00001 -0.00005 0.00008 108 2S 0.00179 0.00027 -0.00017 0.00000 -0.00016 109 2PX -0.00029 -0.00038 0.00030 0.00020 0.00014 110 2PY 0.00347 -0.00025 -0.00004 -0.00020 -0.00006 111 2PZ -0.00842 -0.00017 0.00010 0.00011 0.00029 112 3S 0.00353 0.00052 -0.00031 -0.00026 -0.00027 113 3PX -0.00239 0.00000 -0.00001 0.00012 0.00013 114 3PY -0.00242 0.00004 0.00003 -0.00003 -0.00009 115 3PZ -0.00790 -0.00057 0.00029 0.00067 0.00046 116 4XX -0.00015 -0.00011 0.00009 0.00013 0.00005 117 4YY 0.00015 0.00000 -0.00002 0.00000 -0.00001 118 4ZZ -0.00013 0.00010 -0.00006 -0.00011 -0.00004 119 4XY 0.00084 -0.00006 0.00004 0.00008 0.00006 120 4XZ -0.00039 -0.00001 0.00002 0.00001 0.00002 121 4YZ -0.00206 0.00009 -0.00003 -0.00004 -0.00007 122 16 C 1S -0.00354 -0.00071 0.00004 -0.00029 0.00017 123 2S 0.00661 0.00088 -0.00016 0.00024 -0.00053 124 2PX -0.02091 -0.00527 0.00263 0.00290 0.00297 125 2PY -0.01558 -0.00107 0.00085 0.00015 0.00044 126 2PZ 0.00056 0.00439 -0.00130 -0.00243 -0.00268 127 3S 0.02491 0.00169 -0.00170 0.00040 -0.00083 128 3PX -0.00564 -0.00394 0.00184 0.00224 0.00266 129 3PY -0.01187 -0.00085 -0.00011 0.00090 0.00134 130 3PZ 0.00642 0.00308 -0.00116 -0.00129 -0.00150 131 4XX -0.00385 0.00026 -0.00010 -0.00022 -0.00008 132 4YY 0.00119 -0.00010 0.00008 0.00001 0.00001 133 4ZZ 0.00131 -0.00016 0.00007 0.00017 0.00011 134 4XY -0.00243 0.00005 0.00004 -0.00002 -0.00003 135 4XZ 0.00098 -0.00017 0.00010 0.00012 0.00007 136 4YZ 0.00297 -0.00001 -0.00007 0.00000 0.00001 137 17 C 1S -0.00513 -0.00017 -0.00007 -0.00009 0.00015 138 2S 0.01321 0.00011 0.00011 0.00012 -0.00040 139 2PX -0.03844 -0.00104 0.00086 0.00078 0.00032 140 2PY 0.01328 0.00105 -0.00089 -0.00044 -0.00083 141 2PZ 0.03310 0.00011 -0.00024 -0.00055 0.00062 142 3S 0.02604 0.00024 0.00068 -0.00088 -0.00199 143 3PX -0.03147 0.00003 0.00029 0.00002 -0.00069 144 3PY 0.01795 0.00019 -0.00078 0.00009 -0.00034 145 3PZ 0.02776 -0.00002 -0.00031 -0.00039 -0.00057 146 4XX 0.00045 -0.00005 0.00003 -0.00002 0.00023 147 4YY -0.00027 0.00002 0.00000 -0.00001 -0.00009 148 4ZZ -0.00077 -0.00002 -0.00001 0.00004 -0.00008 149 4XY 0.00075 0.00027 -0.00012 -0.00015 -0.00017 150 4XZ 0.00001 0.00005 -0.00001 -0.00003 -0.00010 151 4YZ -0.00098 -0.00026 0.00010 0.00014 0.00022 152 18 H 1S -0.00085 -0.00050 0.00037 0.00047 0.00021 153 2S -0.00355 -0.00101 0.00070 0.00082 0.00047 154 19 H 1S 0.01690 -0.00102 0.00002 0.00110 0.00076 155 2S 0.00920 -0.00140 0.00026 0.00140 0.00166 156 20 H 1S -0.00179 0.00094 -0.00043 -0.00017 -0.00129 157 2S -0.01228 0.00117 -0.00052 -0.00024 -0.00125 158 21 H 1S -0.00143 0.00039 -0.00023 -0.00041 -0.00014 159 2S 0.00369 0.00096 -0.00051 -0.00114 -0.00053 160 22 O 1S 0.00044 0.00000 -0.00004 0.00000 -0.00015 161 2S 0.00084 0.00009 0.00004 -0.00011 0.00016 162 2PX 0.02318 0.00031 -0.00041 -0.00058 0.00003 163 2PY -0.01234 0.00001 0.00024 0.00028 0.00001 164 2PZ -0.02613 -0.00068 0.00034 0.00066 -0.00025 165 3S -0.00832 -0.00044 0.00028 0.00054 0.00178 166 3PX 0.02231 0.00021 -0.00031 -0.00046 -0.00025 167 3PY -0.00875 0.00012 0.00018 0.00004 -0.00020 168 3PZ -0.02175 -0.00053 0.00030 0.00051 -0.00043 169 4XX 0.00160 0.00002 -0.00002 -0.00001 -0.00007 170 4YY 0.00088 0.00002 -0.00002 -0.00004 -0.00007 171 4ZZ -0.00081 0.00007 -0.00002 -0.00003 -0.00009 172 4XY -0.00083 -0.00003 0.00003 0.00003 0.00002 173 4XZ -0.00001 0.00001 0.00000 0.00000 0.00001 174 4YZ 0.00032 -0.00003 0.00002 0.00000 0.00006 175 23 O 1S 0.00192 0.00007 -0.00006 -0.00013 0.00001 176 2S -0.00330 -0.00017 0.00022 0.00056 0.00003 177 2PX -0.00863 0.00236 -0.00167 -0.00253 -0.00170 178 2PY -0.01122 0.00047 0.00014 0.00020 -0.00006 179 2PZ 0.01854 -0.00184 0.00100 0.00209 0.00139 180 3S -0.01832 -0.00011 0.00019 0.00009 -0.00011 181 3PX -0.00387 0.00200 -0.00128 -0.00180 -0.00141 182 3PY -0.00921 0.00036 0.00012 0.00005 -0.00014 183 3PZ 0.01390 -0.00202 0.00108 0.00199 0.00138 184 4XX 0.00155 0.00013 -0.00005 -0.00002 -0.00009 185 4YY 0.00007 0.00000 0.00002 0.00003 0.00000 186 4ZZ 0.00067 -0.00012 0.00001 0.00007 0.00009 187 4XY -0.00002 0.00009 -0.00007 -0.00009 -0.00006 188 4XZ -0.00034 -0.00002 0.00001 0.00003 0.00001 189 4YZ 0.00151 -0.00002 0.00000 0.00006 0.00002 31 32 33 34 35 31 4XZ 0.00067 32 4YZ 0.00028 0.00117 33 4 H 1S 0.00827 0.01087 0.21693 34 2S 0.00608 0.01062 0.17899 0.17164 35 5 C 1S 0.00058 0.00018 0.01228 0.01464 2.05271 36 2S -0.00150 0.00010 -0.02562 -0.02568 -0.06213 37 2PX 0.00061 0.00005 0.01875 0.03388 0.00133 38 2PY 0.00312 0.00022 0.04294 0.08633 -0.00053 39 2PZ 0.00043 0.01358 0.01319 0.03937 -0.00083 40 3S -0.00359 -0.00428 -0.06038 -0.06760 -0.16067 41 3PX 0.00029 -0.00435 -0.00249 -0.00572 0.00664 42 3PY 0.00186 0.00192 0.01989 0.03824 -0.00378 43 3PZ 0.00022 0.00545 -0.00279 0.00226 0.00494 44 4XX 0.00000 -0.00020 0.00081 0.00160 -0.01431 45 4YY 0.00023 0.00009 0.00186 -0.00151 -0.01700 46 4ZZ 0.00005 -0.00003 0.00080 0.00192 -0.01612 47 4XY 0.00005 0.00050 0.00512 0.00529 0.00088 48 4XZ 0.00004 -0.00011 -0.00002 0.00049 -0.00455 49 4YZ 0.00011 0.00081 0.00716 0.00783 0.00203 50 6 H 1S -0.00002 -0.00716 -0.02222 -0.02568 -0.06016 51 2S 0.00049 -0.00783 -0.02568 -0.03291 -0.01303 52 7 C 1S -0.00008 -0.00116 -0.00753 -0.01234 0.01788 53 2S 0.00016 0.00224 0.01707 0.02410 -0.03384 54 2PX -0.00173 -0.01076 -0.03032 -0.06563 0.05514 55 2PY 0.00001 -0.00219 -0.01510 -0.03044 0.03905 56 2PZ -0.00049 0.00079 -0.01497 -0.02984 0.04364 57 3S 0.00036 0.00433 0.04153 0.04888 -0.00917 58 3PX -0.00133 -0.00703 -0.02563 -0.04372 0.01230 59 3PY -0.00020 -0.00146 -0.00659 -0.01573 0.00984 60 3PZ -0.00042 0.00175 -0.01358 -0.01524 0.00436 61 4XX -0.00001 0.00032 0.00034 0.00109 -0.00196 62 4YY -0.00009 -0.00012 -0.00257 -0.00387 0.00153 63 4ZZ -0.00001 -0.00047 0.00002 -0.00050 0.00017 64 4XY -0.00005 0.00023 -0.00085 -0.00037 -0.00334 65 4XZ 0.00004 0.00001 0.00030 0.00117 -0.00415 66 4YZ -0.00004 0.00003 -0.00058 -0.00017 -0.00299 67 8 H 1S -0.00027 -0.00090 -0.00941 -0.01833 0.01211 68 2S -0.00048 -0.00055 -0.02008 -0.02682 0.01361 69 9 C 1S -0.00073 -0.00027 -0.00710 -0.00909 -0.00267 70 2S 0.00157 0.00069 0.01561 0.02151 0.00479 71 2PX -0.00129 -0.00015 -0.01136 -0.02680 -0.00207 72 2PY -0.00115 0.00024 -0.01106 -0.01592 0.00390 73 2PZ -0.00608 -0.00074 -0.03375 -0.06650 -0.00787 74 3S 0.00278 0.00357 0.04176 0.05147 0.01324 75 3PX -0.00059 -0.00017 -0.00461 -0.01219 -0.00105 76 3PY -0.00025 -0.00024 -0.01304 -0.01570 0.00348 77 3PZ -0.00305 -0.00127 -0.02990 -0.04621 -0.00485 78 4XX -0.00013 -0.00012 -0.00119 -0.00276 -0.00029 79 4YY -0.00017 -0.00008 0.00007 -0.00017 -0.00010 80 4ZZ 0.00024 0.00004 -0.00017 0.00099 0.00024 81 4XY 0.00004 -0.00002 0.00039 0.00092 -0.00007 82 4XZ 0.00024 -0.00032 -0.00149 -0.00196 0.00019 83 4YZ 0.00013 -0.00005 0.00084 0.00199 -0.00020 84 10 H 1S -0.00133 0.00077 -0.00034 -0.00360 -0.00137 85 2S -0.00151 0.00146 -0.00120 -0.00328 -0.00228 86 11 H 1S -0.00073 -0.00083 -0.00882 -0.02288 -0.00059 87 2S -0.00081 -0.00265 -0.02136 -0.03822 -0.00092 88 12 C 1S 0.00009 0.00021 -0.00090 -0.00047 -0.00300 89 2S -0.00017 -0.00066 0.00147 -0.00004 0.00650 90 2PX -0.00006 0.00122 0.00009 0.00382 -0.00839 91 2PY 0.00073 -0.00083 -0.00103 -0.00098 0.00131 92 2PZ 0.00000 0.00020 -0.00298 0.00410 -0.01208 93 3S -0.00079 -0.00335 0.00354 -0.00168 0.00759 94 3PX 0.00014 0.00073 0.00130 0.00383 -0.00454 95 3PY 0.00102 -0.00066 0.00023 0.00067 0.00411 96 3PZ -0.00003 0.00060 -0.00070 0.00421 -0.00802 97 4XX 0.00003 0.00020 0.00044 0.00114 -0.00114 98 4YY 0.00001 0.00000 -0.00008 -0.00033 0.00068 99 4ZZ -0.00002 -0.00013 0.00018 -0.00007 -0.00030 100 4XY 0.00002 0.00000 0.00020 0.00068 -0.00024 101 4XZ 0.00004 0.00038 0.00062 0.00148 -0.00130 102 4YZ 0.00018 0.00006 0.00110 0.00253 -0.00054 103 13 H 1S 0.00023 -0.00150 -0.00063 -0.00022 0.00158 104 2S 0.00036 -0.00143 -0.00021 -0.00044 0.00142 105 14 H 1S 0.00035 0.00131 0.00342 0.01033 -0.00759 106 2S 0.00060 0.00304 0.00712 0.01814 -0.01116 107 15 C 1S 0.00009 -0.00010 0.00003 -0.00020 -0.00034 108 2S -0.00011 0.00026 0.00031 0.00145 0.00067 109 2PX 0.00023 -0.00037 -0.00016 -0.00178 -0.00089 110 2PY 0.00024 -0.00019 -0.00010 -0.00108 0.00109 111 2PZ 0.00014 -0.00024 0.00117 0.00026 0.00031 112 3S -0.00021 0.00048 0.00014 0.00175 0.00165 113 3PX 0.00011 -0.00014 0.00114 0.00061 0.00030 114 3PY 0.00008 0.00011 0.00068 0.00008 0.00028 115 3PZ 0.00021 -0.00057 0.00049 0.00033 -0.00027 116 4XX 0.00004 -0.00009 -0.00009 -0.00015 -0.00023 117 4YY -0.00002 -0.00002 -0.00008 -0.00005 0.00009 118 4ZZ -0.00001 0.00009 0.00028 0.00025 0.00007 119 4XY -0.00002 -0.00010 -0.00019 -0.00050 0.00002 120 4XZ 0.00000 -0.00001 -0.00003 -0.00001 -0.00002 121 4YZ -0.00001 0.00012 0.00017 0.00019 -0.00011 122 16 C 1S 0.00039 -0.00066 -0.00015 -0.00151 -0.00069 123 2S -0.00088 0.00094 -0.00040 0.00011 0.00058 124 2PX 0.00048 -0.00435 -0.00505 -0.01516 -0.00297 125 2PY 0.00018 -0.00114 -0.00069 -0.00607 0.00009 126 2PZ 0.00039 0.00363 0.00682 0.00957 0.00128 127 3S -0.00036 0.00243 0.00376 0.00975 0.00390 128 3PX 0.00043 -0.00313 -0.00141 -0.00671 -0.00129 129 3PY 0.00057 -0.00123 0.00192 -0.00049 0.00151 130 3PZ 0.00028 0.00358 0.01246 0.01873 0.00188 131 4XX 0.00007 0.00014 0.00035 0.00029 -0.00022 132 4YY -0.00004 -0.00004 -0.00008 -0.00018 -0.00006 133 4ZZ 0.00001 -0.00009 0.00003 0.00021 -0.00029 134 4XY 0.00000 0.00001 -0.00004 0.00046 -0.00007 135 4XZ -0.00003 -0.00009 0.00002 -0.00056 -0.00015 136 4YZ -0.00008 0.00002 -0.00023 -0.00024 0.00021 137 17 C 1S 0.00014 -0.00012 -0.00005 0.00058 -0.00178 138 2S -0.00022 0.00031 -0.00019 -0.00103 0.00265 139 2PX 0.00094 -0.00042 0.00044 0.00607 -0.00503 140 2PY 0.00028 0.00109 0.00075 0.00444 0.00170 141 2PZ -0.00048 -0.00030 -0.00028 -0.00384 0.00224 142 3S -0.00100 0.00083 -0.00200 -0.00661 0.00362 143 3PX 0.00051 0.00006 -0.00181 0.00104 -0.00660 144 3PY 0.00015 0.00064 0.00061 0.00090 0.00256 145 3PZ -0.00056 -0.00063 -0.00424 -0.00986 0.00154 146 4XX 0.00002 -0.00018 -0.00016 -0.00018 -0.00079 147 4YY -0.00003 0.00004 -0.00019 -0.00042 -0.00013 148 4ZZ 0.00004 0.00003 -0.00006 0.00012 -0.00029 149 4XY 0.00000 0.00028 0.00041 0.00103 -0.00016 150 4XZ 0.00003 0.00011 0.00004 0.00048 -0.00048 151 4YZ -0.00001 -0.00028 -0.00040 -0.00077 -0.00029 152 18 H 1S 0.00017 -0.00044 -0.00069 -0.00122 -0.00094 153 2S 0.00027 -0.00086 -0.00181 -0.00266 -0.00199 154 19 H 1S -0.00068 -0.00057 -0.00193 -0.00036 0.00040 155 2S -0.00025 -0.00089 0.00431 0.00495 0.00059 156 20 H 1S 0.00016 0.00121 0.00096 0.00362 0.00083 157 2S 0.00024 0.00070 -0.00010 0.00234 0.00005 158 21 H 1S -0.00006 0.00038 0.00108 0.00093 0.00063 159 2S -0.00017 0.00089 0.00129 0.00051 0.00066 160 22 O 1S -0.00004 0.00002 -0.00010 -0.00077 0.00025 161 2S 0.00009 0.00007 0.00005 0.00190 -0.00129 162 2PX -0.00051 -0.00033 -0.00034 -0.00462 0.00317 163 2PY -0.00026 -0.00006 -0.00008 -0.00423 -0.00082 164 2PZ 0.00007 -0.00020 -0.00141 -0.00298 -0.00062 165 3S 0.00022 -0.00067 0.00235 0.00493 0.00114 166 3PX -0.00043 -0.00025 -0.00114 -0.00489 0.00189 167 3PY -0.00024 0.00007 -0.00027 -0.00317 -0.00093 168 3PZ 0.00015 -0.00008 -0.00126 -0.00197 -0.00173 169 4XX -0.00002 0.00004 -0.00010 -0.00028 -0.00008 170 4YY 0.00000 0.00003 -0.00015 0.00000 -0.00033 171 4ZZ 0.00001 0.00008 0.00007 0.00022 -0.00035 172 4XY 0.00002 0.00001 0.00012 0.00030 -0.00003 173 4XZ 0.00001 0.00001 0.00005 0.00015 0.00017 174 4YZ 0.00000 -0.00005 -0.00001 -0.00001 0.00007 175 23 O 1S -0.00007 0.00018 0.00019 0.00148 0.00003 176 2S 0.00008 -0.00030 0.00028 -0.00270 0.00010 177 2PX -0.00035 0.00253 0.00315 0.00741 0.00146 178 2PY -0.00047 0.00051 -0.00017 -0.00120 -0.00082 179 2PZ 0.00009 -0.00235 -0.00406 -0.00151 -0.00083 180 3S 0.00016 -0.00123 -0.00398 -0.00955 -0.00062 181 3PX -0.00017 0.00239 0.00455 0.00836 0.00134 182 3PY -0.00034 0.00031 -0.00079 -0.00169 -0.00076 183 3PZ 0.00012 -0.00209 -0.00269 -0.00184 -0.00103 184 4XX 0.00000 0.00014 0.00028 0.00063 0.00009 185 4YY -0.00002 0.00005 0.00012 0.00018 0.00004 186 4ZZ 0.00001 -0.00008 0.00003 -0.00002 0.00015 187 4XY 0.00000 0.00010 0.00020 0.00051 0.00003 188 4XZ -0.00002 -0.00002 -0.00012 -0.00021 0.00002 189 4YZ 0.00001 -0.00002 0.00002 0.00026 0.00002 36 37 38 39 40 36 2S 0.32496 37 2PX 0.00226 0.36896 38 2PY -0.00162 -0.00011 0.41335 39 2PZ 0.00777 0.03332 0.00266 0.39023 40 3S 0.24766 -0.01951 -0.01122 -0.02946 0.25011 41 3PX -0.02275 0.18141 -0.01273 -0.07523 -0.00529 42 3PY 0.01622 -0.01321 0.13842 0.02578 -0.00772 43 3PZ -0.01458 -0.05969 0.00573 0.16793 -0.01272 44 4XX -0.00947 0.00801 0.00593 -0.00344 -0.00562 45 4YY -0.00308 -0.00428 -0.01307 -0.00040 -0.00311 46 4ZZ -0.00535 -0.00689 0.01026 -0.00257 -0.00246 47 4XY -0.00123 0.00498 0.00024 0.01075 -0.00261 48 4XZ 0.00944 -0.00068 0.00920 -0.00219 0.00814 49 4YZ -0.00343 0.00949 -0.00196 0.01031 -0.00706 50 6 H 1S 0.11224 -0.13263 0.13077 -0.18748 0.11509 51 2S 0.02496 -0.12150 0.11785 -0.18086 0.05423 52 7 C 1S -0.03602 -0.05991 -0.03620 -0.04301 0.01167 53 2S 0.06175 0.12166 0.07534 0.08348 0.01681 54 2PX -0.11749 0.00707 -0.13524 -0.24258 -0.04583 55 2PY -0.07544 -0.13784 -0.05072 -0.06402 -0.10481 56 2PZ -0.08981 -0.21173 -0.08012 -0.01517 -0.05017 57 3S 0.03346 0.13111 0.05000 0.09079 -0.02632 58 3PX -0.03508 0.04974 -0.06231 -0.12907 0.00784 59 3PY -0.02572 -0.05356 -0.00539 -0.02376 -0.01880 60 3PZ -0.01209 -0.09570 -0.03267 0.02874 -0.00661 61 4XX 0.00317 -0.01089 0.00515 0.00700 0.00431 62 4YY -0.00338 -0.00154 -0.01234 -0.00144 -0.00597 63 4ZZ -0.00118 0.00180 0.00099 -0.01328 0.00227 64 4XY 0.00665 0.00345 -0.00259 0.00806 0.00401 65 4XZ 0.00766 0.00321 0.00661 0.00047 0.00598 66 4YZ 0.00599 0.00806 -0.00166 0.00180 0.00437 67 8 H 1S -0.02453 -0.02455 -0.03575 -0.01201 -0.06201 68 2S -0.02471 -0.04780 -0.07142 -0.01045 -0.05922 69 9 C 1S 0.00503 0.00128 -0.00375 0.00577 0.01091 70 2S -0.00883 0.00214 0.00681 -0.01508 -0.02105 71 2PX 0.00443 -0.00674 -0.00763 0.00880 0.01310 72 2PY -0.00856 -0.02849 -0.01160 -0.00380 -0.01906 73 2PZ 0.01255 -0.01134 -0.02367 0.02038 0.07871 74 3S -0.02297 -0.02356 0.03018 -0.00946 -0.06110 75 3PX 0.00171 -0.00051 -0.00182 0.00167 0.00819 76 3PY -0.00737 -0.02761 -0.00891 0.00192 -0.01690 77 3PZ 0.00736 -0.00615 -0.02432 0.00453 0.04098 78 4XX 0.00034 -0.00037 0.00022 0.00077 0.00343 79 4YY 0.00024 0.00060 -0.00192 -0.00177 0.00111 80 4ZZ -0.00041 0.00010 0.00197 0.00059 -0.00283 81 4XY 0.00035 0.00023 0.00100 0.00059 0.00078 82 4XZ -0.00044 0.00102 0.00088 -0.00064 0.00000 83 4YZ 0.00082 0.00129 0.00015 0.00008 -0.00127 84 10 H 1S 0.00184 -0.00285 0.00018 0.00657 0.02055 85 2S 0.00336 -0.01502 0.00379 0.01956 0.01847 86 11 H 1S 0.00017 0.00193 -0.00229 -0.00061 0.01949 87 2S -0.00024 0.00533 -0.00699 -0.00761 0.02802 88 12 C 1S 0.00562 0.00514 0.00155 0.01145 0.00523 89 2S -0.01506 -0.01443 -0.00592 -0.02805 -0.00899 90 2PX 0.02186 -0.00070 0.01087 0.03289 0.02770 91 2PY -0.00319 -0.00229 0.00421 -0.00689 0.00917 92 2PZ 0.03132 0.04903 0.00703 0.02308 0.00220 93 3S -0.01648 0.00176 0.01090 -0.07811 0.01673 94 3PX 0.00903 -0.00130 0.00744 0.01496 0.00631 95 3PY -0.00872 -0.00734 0.00450 -0.02097 -0.01092 96 3PZ 0.01863 0.04076 -0.00837 0.02260 -0.00610 97 4XX 0.00235 -0.00086 0.00219 0.00525 0.00156 98 4YY -0.00152 -0.00310 -0.00171 -0.00200 -0.00276 99 4ZZ 0.00017 0.00630 0.00096 -0.00132 0.00089 100 4XY 0.00073 0.00134 -0.00013 -0.00012 0.00124 101 4XZ 0.00293 -0.00157 0.00304 0.00928 0.00203 102 4YZ 0.00141 0.00384 0.00173 0.00056 -0.00073 103 13 H 1S -0.00347 0.02932 -0.00310 -0.02866 -0.01230 104 2S -0.00405 0.02929 0.00013 -0.02535 -0.01121 105 14 H 1S 0.01927 0.00234 0.01532 0.03244 0.01770 106 2S 0.02904 -0.00204 0.02105 0.07097 0.02303 107 15 C 1S 0.00050 0.00186 0.00057 -0.00048 0.00279 108 2S -0.00179 -0.00525 -0.00021 0.00168 -0.00557 109 2PX 0.00226 0.00498 0.00063 -0.00144 0.01185 110 2PY -0.00156 -0.00103 -0.00156 -0.00201 -0.00972 111 2PZ 0.00003 0.00697 -0.00135 -0.00801 -0.00517 112 3S -0.00332 -0.01103 -0.00436 0.00235 -0.00761 113 3PX -0.00055 0.00236 0.00139 -0.00356 0.00088 114 3PY -0.00057 -0.00141 -0.00024 0.00166 0.00171 115 3PZ 0.00123 0.01151 -0.00190 -0.00959 0.00308 116 4XX 0.00067 0.00161 0.00012 -0.00048 0.00206 117 4YY -0.00031 -0.00023 -0.00001 0.00004 0.00078 118 4ZZ -0.00029 -0.00126 0.00012 0.00031 -0.00281 119 4XY -0.00031 0.00120 -0.00028 -0.00135 0.00118 120 4XZ 0.00015 0.00061 -0.00025 -0.00047 -0.00047 121 4YZ 0.00011 -0.00132 0.00029 0.00148 0.00189 122 16 C 1S 0.00137 0.01089 -0.00262 -0.00738 0.00207 123 2S -0.00173 -0.02273 0.00401 0.01701 0.00404 124 2PX 0.00820 0.07782 -0.01577 -0.05630 0.03492 125 2PY 0.00136 0.01164 -0.00430 -0.01177 0.00094 126 2PZ -0.00390 -0.05907 0.01022 0.04328 -0.02184 127 3S -0.00677 -0.05256 0.01290 0.03694 -0.01673 128 3PX 0.00638 0.05986 -0.01205 -0.04005 0.01874 129 3PY -0.00183 0.02888 -0.00198 -0.02422 -0.00030 130 3PZ -0.00093 -0.04678 0.01428 0.04463 -0.02370 131 4XX 0.00029 0.00077 -0.00019 0.00000 -0.00099 132 4YY 0.00020 -0.00040 -0.00036 0.00041 -0.00034 133 4ZZ 0.00039 0.00168 -0.00028 -0.00081 0.00145 134 4XY 0.00073 0.00112 -0.00003 0.00003 -0.00062 135 4XZ 0.00017 0.00113 -0.00034 -0.00071 0.00230 136 4YZ -0.00063 -0.00166 0.00047 0.00061 -0.00015 137 17 C 1S 0.00269 0.00920 -0.00007 -0.00379 0.00660 138 2S -0.00452 -0.02100 -0.00007 0.01059 -0.01527 139 2PX 0.01913 0.03137 -0.00231 -0.00561 -0.01133 140 2PY -0.00504 -0.01828 0.00155 0.01159 -0.00913 141 2PZ -0.00609 -0.00582 0.00214 -0.00874 -0.00464 142 3S -0.01131 -0.05398 -0.00008 0.02765 -0.00267 143 3PX 0.01009 0.00586 -0.00333 0.00106 -0.00189 144 3PY -0.00680 -0.01975 -0.00115 0.01112 -0.00725 145 3PZ -0.01149 -0.02472 0.00222 -0.00968 0.00411 146 4XX 0.00083 0.00598 -0.00039 -0.00412 -0.00147 147 4YY -0.00023 -0.00212 -0.00021 0.00109 0.00113 148 4ZZ 0.00012 -0.00135 -0.00021 0.00082 0.00123 149 4XY 0.00026 -0.00434 0.00101 0.00386 -0.00143 150 4XZ 0.00093 -0.00196 0.00047 0.00187 -0.00108 151 4YZ 0.00044 0.00517 -0.00091 -0.00430 0.00187 152 18 H 1S 0.00273 0.00763 -0.00023 -0.00253 0.01090 153 2S 0.00547 0.01684 -0.00112 -0.00555 0.01797 154 19 H 1S -0.00107 0.00591 0.00079 -0.00432 0.00813 155 2S -0.00059 0.02537 0.00061 -0.01694 0.00618 156 20 H 1S -0.00296 -0.02683 0.00212 0.02058 -0.00649 157 2S -0.00132 -0.01968 0.00411 0.00495 -0.00200 158 21 H 1S -0.00138 -0.00487 0.00007 0.00085 -0.01206 159 2S -0.00226 -0.01323 0.00430 0.00872 -0.01736 160 22 O 1S -0.00140 -0.00322 -0.00047 0.00086 0.00079 161 2S 0.00318 0.00264 0.00153 0.00028 -0.00745 162 2PX -0.01246 -0.00852 -0.00185 -0.00690 -0.01266 163 2PY -0.00223 -0.00005 0.00070 0.00066 0.03844 164 2PZ 0.00105 0.00172 -0.00194 0.00447 0.04573 165 3S 0.00790 0.03873 0.00182 -0.01428 0.00170 166 3PX -0.01050 -0.01370 -0.00021 -0.00372 -0.01067 167 3PY -0.00179 -0.00430 0.00012 0.00181 0.02536 168 3PZ 0.00208 -0.00206 -0.00177 0.00527 0.03138 169 4XX -0.00055 -0.00230 0.00019 0.00099 0.00069 170 4YY -0.00005 -0.00142 0.00003 0.00070 -0.00216 171 4ZZ 0.00000 -0.00131 0.00040 0.00115 -0.00044 172 4XY 0.00064 0.00059 0.00017 0.00032 -0.00004 173 4XZ 0.00006 0.00018 0.00001 0.00009 -0.00101 174 4YZ 0.00021 0.00132 -0.00016 -0.00089 -0.00164 175 23 O 1S 0.00038 -0.00239 0.00041 0.00198 -0.00543 176 2S -0.00105 0.00426 -0.00032 -0.00298 0.01365 177 2PX -0.00392 -0.04303 0.00710 0.03015 -0.02272 178 2PY -0.00068 -0.00102 -0.00082 0.00200 0.01674 179 2PZ 0.00296 0.03260 -0.00412 -0.02206 0.01046 180 3S -0.00217 0.01711 -0.00387 -0.01807 0.01897 181 3PX -0.00261 -0.03879 0.00824 0.03032 -0.01853 182 3PY -0.00013 -0.00031 -0.00031 0.00157 0.01305 183 3PZ 0.00346 0.03013 -0.00422 -0.01983 0.01212 184 4XX -0.00010 -0.00275 0.00069 0.00236 -0.00048 185 4YY 0.00005 -0.00045 0.00012 0.00073 0.00033 186 4ZZ -0.00011 0.00128 0.00009 -0.00096 -0.00012 187 4XY -0.00009 -0.00141 0.00026 0.00123 -0.00099 188 4XZ -0.00004 0.00042 -0.00002 -0.00035 0.00059 189 4YZ -0.00009 0.00003 0.00013 -0.00002 -0.00005 41 42 43 44 45 41 3PX 0.12000 42 3PY -0.02131 0.06237 43 3PZ -0.06578 0.01396 0.09329 44 4XX 0.00526 -0.00006 -0.00248 0.00092 45 4YY -0.00157 -0.00297 0.00079 -0.00023 0.00114 46 4ZZ -0.00263 0.00301 0.00046 0.00022 -0.00019 47 4XY -0.00016 -0.00037 0.00330 0.00019 0.00000 48 4XZ -0.00040 0.00261 -0.00111 -0.00007 -0.00048 49 4YZ 0.00159 0.00072 0.00212 -0.00003 0.00014 50 6 H 1S -0.03241 0.03912 -0.05972 -0.00192 -0.00407 51 2S -0.01788 0.02558 -0.05145 0.00069 -0.00362 52 7 C 1S -0.00739 -0.00604 0.00476 -0.00160 0.00118 53 2S 0.03363 0.00949 0.00613 0.00278 -0.00344 54 2PX 0.07525 -0.09235 -0.09987 0.00836 0.00220 55 2PY -0.06145 0.00968 -0.00562 -0.00424 0.01331 56 2PZ -0.08998 -0.03205 0.03875 -0.00521 0.00246 57 3S 0.02878 0.00107 0.00197 0.00396 -0.00287 58 3PX 0.06572 -0.05178 -0.06093 0.00568 -0.00025 59 3PY -0.01760 0.00218 0.00261 -0.00159 0.00408 60 3PZ -0.05086 0.00022 0.03335 -0.00483 0.00198 61 4XX -0.00751 0.00330 0.00592 -0.00025 -0.00020 62 4YY -0.00072 -0.00312 -0.00082 -0.00024 0.00096 63 4ZZ 0.00471 -0.00133 -0.00632 0.00025 -0.00037 64 4XY -0.00042 0.00006 0.00233 -0.00028 0.00009 65 4XZ 0.00115 0.00283 -0.00064 -0.00010 -0.00031 66 4YZ 0.00323 0.00034 -0.00096 -0.00001 -0.00002 67 8 H 1S -0.01713 -0.00229 -0.00667 -0.00145 0.00806 68 2S -0.02896 -0.00593 -0.00120 -0.00308 0.00889 69 9 C 1S 0.00010 -0.00349 0.00343 0.00000 -0.00020 70 2S 0.00217 0.00597 -0.00990 0.00002 0.00036 71 2PX -0.00581 -0.01726 0.00097 0.00032 0.00065 72 2PY -0.01994 -0.00708 0.00331 -0.00082 0.00190 73 2PZ 0.00220 -0.02449 0.03398 -0.00066 0.00059 74 3S -0.01893 0.02946 -0.00436 -0.00151 0.00205 75 3PX -0.00076 -0.00912 -0.00003 0.00052 -0.00004 76 3PY -0.01748 -0.00055 0.00540 -0.00108 0.00223 77 3PZ 0.00210 -0.01698 0.01557 -0.00033 0.00057 78 4XX 0.00067 -0.00109 0.00115 0.00006 0.00000 79 4YY 0.00062 -0.00183 -0.00139 0.00004 -0.00008 80 4ZZ -0.00075 0.00254 0.00033 -0.00006 0.00004 81 4XY 0.00013 0.00123 0.00081 0.00002 -0.00002 82 4XZ 0.00164 -0.00060 -0.00082 0.00009 0.00005 83 4YZ -0.00001 0.00086 -0.00131 -0.00003 0.00008 84 10 H 1S 0.00050 0.00488 0.01533 -0.00054 -0.00031 85 2S -0.01192 0.00768 0.02316 -0.00055 -0.00064 86 11 H 1S 0.00704 -0.01408 0.00038 0.00055 0.00013 87 2S 0.01616 -0.02155 -0.00397 0.00080 0.00006 88 12 C 1S 0.00086 0.00403 0.00806 -0.00046 0.00081 89 2S 0.00033 -0.00849 -0.01522 0.00036 -0.00158 90 2PX -0.00835 0.02935 0.02850 -0.00027 0.00138 91 2PY 0.00778 0.00647 -0.00236 0.00009 -0.00124 92 2PZ 0.01027 0.03196 -0.00729 -0.00133 0.00397 93 3S 0.02532 -0.02144 -0.03851 0.00276 -0.00435 94 3PX -0.00640 0.01540 0.01190 -0.00006 0.00070 95 3PY 0.00283 0.00708 -0.00932 -0.00007 0.00008 96 3PZ 0.00785 0.01123 -0.00484 -0.00042 0.00203 97 4XX -0.00185 0.00296 0.00260 -0.00019 0.00007 98 4YY -0.00146 0.00003 -0.00033 -0.00015 0.00035 99 4ZZ 0.00367 -0.00188 -0.00192 0.00036 -0.00033 100 4XY 0.00085 0.00104 0.00037 0.00004 -0.00002 101 4XZ -0.00284 0.00236 0.00494 -0.00027 -0.00010 102 4YZ 0.00128 0.00183 -0.00127 0.00005 -0.00011 103 13 H 1S 0.01935 -0.00436 -0.03019 0.00081 -0.00014 104 2S 0.01788 -0.00456 -0.02563 0.00164 -0.00013 105 14 H 1S -0.00667 0.02873 0.01867 -0.00089 0.00033 106 2S -0.01667 0.03781 0.03879 -0.00252 0.00077 107 15 C 1S 0.00243 0.00033 -0.00011 -0.00014 -0.00001 108 2S -0.00496 -0.00172 0.00179 0.00027 -0.00017 109 2PX 0.00677 0.00378 -0.00029 -0.00038 0.00030 110 2PY -0.00403 -0.00216 -0.00347 0.00025 0.00004 111 2PZ 0.00459 -0.00088 -0.00842 -0.00017 0.00010 112 3S -0.00955 -0.00351 0.00353 0.00052 -0.00031 113 3PX 0.00233 0.00134 -0.00239 0.00000 -0.00001 114 3PY -0.00067 -0.00043 0.00242 -0.00004 -0.00003 115 3PZ 0.01174 -0.00035 -0.00790 -0.00057 0.00029 116 4XX 0.00194 0.00033 -0.00015 -0.00011 0.00009 117 4YY 0.00019 0.00022 0.00015 0.00000 -0.00002 118 4ZZ -0.00202 -0.00041 -0.00013 0.00010 -0.00006 119 4XY 0.00160 -0.00109 -0.00084 0.00006 -0.00004 120 4XZ 0.00030 -0.00028 -0.00039 -0.00001 0.00002 121 4YZ -0.00040 0.00074 0.00206 -0.00009 0.00003 122 16 C 1S 0.00808 -0.00240 -0.00513 -0.00017 -0.00007 123 2S -0.01433 0.00315 0.01321 0.00011 0.00011 124 2PX 0.07600 -0.02115 -0.03845 -0.00104 0.00086 125 2PY 0.01106 0.00159 -0.01329 -0.00105 0.00089 126 2PZ -0.05769 0.01045 0.03310 0.00011 -0.00024 127 3S -0.04059 0.01633 0.02603 0.00024 0.00068 128 3PX 0.05288 -0.01493 -0.03147 0.00003 0.00029 129 3PY 0.02556 0.00054 -0.01795 -0.00019 0.00078 130 3PZ -0.04985 0.01447 0.02776 -0.00002 -0.00031 131 4XX -0.00035 0.00038 0.00045 -0.00005 0.00003 132 4YY -0.00066 -0.00015 -0.00027 0.00002 0.00000 133 4ZZ 0.00195 -0.00056 -0.00077 -0.00002 -0.00001 134 4XY 0.00072 0.00100 -0.00075 -0.00027 0.00012 135 4XZ 0.00173 -0.00120 0.00001 0.00005 -0.00001 136 4YZ -0.00124 -0.00023 0.00098 0.00026 -0.00010 137 17 C 1S 0.00950 0.00149 -0.00354 -0.00071 0.00004 138 2S -0.02241 -0.00030 0.00661 0.00088 -0.00016 139 2PX 0.02167 0.01372 -0.02091 -0.00527 0.00263 140 2PY -0.01859 -0.00229 0.01558 0.00107 -0.00085 141 2PZ -0.01003 -0.00720 0.00056 0.00439 -0.00130 142 3S -0.04287 -0.01053 0.02491 0.00169 -0.00170 143 3PX 0.00790 0.00921 -0.00564 -0.00394 0.00184 144 3PY -0.01495 -0.00065 0.01187 0.00085 0.00011 145 3PZ -0.01274 -0.00995 0.00642 0.00308 -0.00116 146 4XX 0.00315 -0.00123 -0.00385 0.00026 -0.00010 147 4YY -0.00074 0.00027 0.00119 -0.00010 0.00008 148 4ZZ -0.00017 0.00052 0.00131 -0.00016 0.00007 149 4XY -0.00423 0.00158 0.00243 -0.00005 -0.00004 150 4XZ -0.00206 0.00124 0.00098 -0.00017 0.00010 151 4YZ 0.00492 -0.00049 -0.00297 0.00001 0.00007 152 18 H 1S 0.00930 0.00200 -0.00085 -0.00050 0.00037 153 2S 0.01863 0.00257 -0.00355 -0.00101 0.00070 154 19 H 1S 0.00940 -0.00345 -0.00179 0.00094 -0.00043 155 2S 0.02184 -0.00528 -0.01228 0.00117 -0.00052 156 20 H 1S -0.02164 0.00339 0.01690 -0.00102 0.00002 157 2S -0.01156 0.00512 0.00921 -0.00140 0.00026 158 21 H 1S -0.00794 -0.00186 -0.00143 0.00039 -0.00023 159 2S -0.01860 -0.00055 0.00368 0.00096 -0.00051 160 22 O 1S -0.00142 -0.00426 0.00192 0.00007 -0.00006 161 2S -0.00210 0.00989 -0.00330 -0.00017 0.00022 162 2PX -0.00817 -0.01628 -0.00864 0.00236 -0.00167 163 2PY 0.01578 0.00469 0.01122 -0.00047 -0.00014 164 2PZ 0.02054 0.00926 0.01855 -0.00184 0.00100 165 3S 0.02452 0.01278 -0.01832 -0.00011 0.00019 166 3PX -0.01123 -0.01247 -0.00387 0.00200 -0.00128 167 3PY 0.00767 0.00281 0.00920 -0.00036 -0.00012 168 3PZ 0.01284 0.00865 0.01390 -0.00202 0.00108 169 4XX -0.00147 -0.00013 0.00155 0.00013 -0.00005 170 4YY -0.00173 -0.00044 0.00007 0.00000 0.00002 171 4ZZ -0.00103 0.00032 0.00067 -0.00012 0.00001 172 4XY 0.00020 0.00066 0.00002 -0.00009 0.00007 173 4XZ -0.00032 0.00012 -0.00034 -0.00002 0.00001 174 4YZ 0.00030 -0.00037 -0.00151 0.00002 0.00000 175 23 O 1S -0.00315 0.00232 0.00044 0.00000 -0.00004 176 2S 0.00674 -0.00621 0.00084 0.00009 0.00004 177 2PX -0.04387 0.01549 0.02318 0.00031 -0.00041 178 2PY 0.00767 -0.00398 0.01234 -0.00001 -0.00024 179 2PZ 0.03159 -0.00333 -0.02613 -0.00068 0.00034 180 3S 0.01955 -0.00642 -0.00832 -0.00044 0.00028 181 3PX -0.03921 0.01308 0.02231 0.00021 -0.00031 182 3PY 0.00583 -0.00227 0.00876 -0.00012 -0.00018 183 3PZ 0.02959 -0.00471 -0.02175 -0.00053 0.00030 184 4XX -0.00241 0.00063 0.00160 0.00002 -0.00002 185 4YY -0.00017 -0.00018 0.00088 0.00002 -0.00002 186 4ZZ 0.00105 -0.00029 -0.00081 0.00007 -0.00002 187 4XY -0.00170 0.00061 0.00083 0.00003 -0.00003 188 4XZ 0.00058 -0.00016 -0.00001 0.00001 0.00000 189 4YZ 0.00005 -0.00005 -0.00032 0.00003 -0.00002 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 0.00550 -0.00785 0.00827 -0.01087 0.21693 51 2S 0.00647 -0.00774 0.00608 -0.01062 0.17899 52 7 C 1S -0.00024 -0.00373 -0.00330 -0.00332 0.01338 53 2S 0.00008 0.00671 0.00637 0.00626 -0.02791 54 2PX -0.00219 -0.00235 -0.00296 -0.00857 0.03271 55 2PY -0.00190 0.00163 -0.00724 0.00162 0.00421 56 2PZ 0.01017 -0.00838 0.00074 -0.00096 0.03215 57 3S -0.00161 0.00854 0.00402 0.00762 -0.05771 58 3PX -0.00269 0.00001 -0.00054 -0.00548 0.01770 59 3PY 0.00056 0.00027 -0.00162 0.00013 0.01040 60 3PZ 0.00448 -0.00454 0.00042 0.00162 0.00730 61 4XX 0.00012 -0.00005 0.00004 -0.00034 0.00307 62 4YY -0.00047 0.00024 -0.00056 0.00029 -0.00535 63 4ZZ 0.00030 -0.00056 0.00018 -0.00043 0.00632 64 4XY -0.00028 0.00027 0.00003 0.00026 -0.00350 65 4XZ 0.00010 -0.00010 0.00045 0.00003 0.00387 66 4YZ -0.00044 0.00010 -0.00005 0.00013 -0.00211 67 8 H 1S -0.00273 0.00411 -0.00313 0.00349 -0.02289 68 2S -0.00329 0.00215 -0.00474 0.00262 -0.02757 69 9 C 1S -0.00037 -0.00004 0.00009 -0.00021 -0.00090 70 2S 0.00057 0.00040 -0.00017 0.00066 0.00147 71 2PX -0.00085 0.00037 -0.00006 -0.00122 0.00009 72 2PY -0.00047 0.00034 -0.00073 -0.00083 0.00103 73 2PZ -0.00074 -0.00159 0.00000 -0.00020 -0.00298 74 3S 0.00193 -0.00050 -0.00079 0.00335 0.00354 75 3PX -0.00043 0.00021 0.00014 -0.00073 0.00130 76 3PY -0.00055 0.00015 -0.00102 -0.00066 -0.00023 77 3PZ -0.00069 -0.00145 -0.00003 -0.00060 -0.00070 78 4XX -0.00005 0.00006 0.00003 -0.00020 0.00044 79 4YY 0.00000 0.00012 0.00001 0.00000 -0.00008 80 4ZZ 0.00005 -0.00026 -0.00002 0.00013 0.00018 81 4XY -0.00008 0.00008 -0.00002 0.00000 -0.00020 82 4XZ -0.00005 0.00014 0.00004 -0.00038 0.00062 83 4YZ -0.00019 0.00027 -0.00018 0.00006 -0.00110 84 10 H 1S 0.00069 -0.00159 0.00023 0.00150 -0.00063 85 2S 0.00071 -0.00181 0.00036 0.00143 -0.00021 86 11 H 1S -0.00008 0.00000 0.00035 -0.00131 0.00342 87 2S -0.00013 0.00028 0.00060 -0.00304 0.00712 88 12 C 1S -0.00156 0.00079 -0.00073 0.00027 -0.00710 89 2S 0.00302 -0.00173 0.00157 -0.00069 0.01561 90 2PX -0.00377 0.00102 -0.00129 0.00015 -0.01136 91 2PY 0.00210 -0.00250 0.00116 0.00024 0.01106 92 2PZ -0.00733 0.00402 -0.00607 0.00074 -0.03375 93 3S 0.00350 -0.00172 0.00278 -0.00357 0.04176 94 3PX -0.00170 0.00039 -0.00059 0.00017 -0.00461 95 3PY 0.00119 -0.00209 0.00026 -0.00024 0.01304 96 3PZ -0.00435 0.00270 -0.00305 0.00127 -0.02990 97 4XX -0.00013 0.00006 -0.00013 0.00012 -0.00119 98 4YY -0.00004 0.00000 -0.00017 0.00008 0.00007 99 4ZZ 0.00002 0.00010 0.00024 -0.00004 -0.00017 100 4XY -0.00015 0.00001 -0.00004 -0.00002 -0.00039 101 4XZ 0.00019 -0.00001 0.00024 0.00032 -0.00149 102 4YZ -0.00019 0.00008 -0.00013 -0.00005 -0.00084 103 13 H 1S -0.00072 0.00062 -0.00133 -0.00077 -0.00034 104 2S -0.00169 0.00141 -0.00151 -0.00146 -0.00120 105 14 H 1S -0.00156 0.00015 -0.00073 0.00083 -0.00882 106 2S -0.00124 0.00046 -0.00081 0.00265 -0.02136 107 15 C 1S -0.00005 -0.00008 0.00009 0.00010 0.00003 108 2S 0.00000 0.00016 -0.00011 -0.00026 0.00031 109 2PX 0.00020 -0.00013 0.00023 0.00037 -0.00016 110 2PY 0.00020 -0.00006 -0.00024 -0.00019 0.00010 111 2PZ 0.00011 -0.00029 0.00014 0.00024 0.00117 112 3S -0.00026 0.00027 -0.00021 -0.00048 0.00014 113 3PX 0.00012 -0.00013 0.00011 0.00014 0.00114 114 3PY 0.00003 -0.00009 -0.00008 0.00011 -0.00068 115 3PZ 0.00067 -0.00046 0.00021 0.00057 0.00049 116 4XX 0.00013 -0.00005 0.00004 0.00009 -0.00009 117 4YY 0.00000 0.00001 -0.00002 0.00002 -0.00008 118 4ZZ -0.00011 0.00004 -0.00001 -0.00009 0.00028 119 4XY -0.00008 0.00006 0.00002 -0.00010 0.00019 120 4XZ 0.00001 -0.00002 0.00000 0.00001 -0.00003 121 4YZ 0.00004 -0.00007 0.00001 0.00012 -0.00017 122 16 C 1S -0.00009 -0.00015 0.00014 0.00012 -0.00005 123 2S 0.00012 0.00040 -0.00022 -0.00031 -0.00019 124 2PX 0.00078 -0.00032 0.00094 0.00042 0.00044 125 2PY 0.00044 -0.00083 -0.00028 0.00109 -0.00075 126 2PZ -0.00055 -0.00062 -0.00048 0.00030 -0.00028 127 3S -0.00088 0.00199 -0.00100 -0.00083 -0.00200 128 3PX 0.00002 0.00069 0.00051 -0.00006 -0.00181 129 3PY -0.00009 -0.00034 -0.00015 0.00064 -0.00061 130 3PZ -0.00039 0.00057 -0.00056 0.00063 -0.00424 131 4XX -0.00002 -0.00023 0.00002 0.00018 -0.00016 132 4YY -0.00001 0.00009 -0.00003 -0.00004 -0.00019 133 4ZZ 0.00004 0.00008 0.00004 -0.00003 -0.00006 134 4XY 0.00015 -0.00017 0.00000 0.00028 -0.00041 135 4XZ -0.00003 0.00010 0.00003 -0.00011 0.00004 136 4YZ -0.00014 0.00022 0.00001 -0.00028 0.00040 137 17 C 1S -0.00029 -0.00017 0.00039 0.00066 -0.00015 138 2S 0.00024 0.00053 -0.00088 -0.00094 -0.00040 139 2PX 0.00291 -0.00297 0.00048 0.00435 -0.00505 140 2PY -0.00015 0.00044 -0.00018 -0.00114 0.00069 141 2PZ -0.00243 0.00268 0.00039 -0.00363 0.00682 142 3S 0.00040 0.00083 -0.00036 -0.00243 0.00376 143 3PX 0.00224 -0.00266 0.00043 0.00313 -0.00141 144 3PY -0.00090 0.00134 -0.00057 -0.00123 -0.00192 145 3PZ -0.00129 0.00150 0.00028 -0.00358 0.01246 146 4XX -0.00022 0.00008 0.00007 -0.00014 0.00035 147 4YY 0.00001 -0.00001 -0.00004 0.00004 -0.00008 148 4ZZ 0.00017 -0.00011 0.00001 0.00009 0.00003 149 4XY 0.00002 -0.00003 0.00000 0.00001 0.00004 150 4XZ 0.00012 -0.00007 -0.00003 0.00009 0.00002 151 4YZ 0.00000 0.00001 0.00008 0.00002 0.00023 152 18 H 1S 0.00047 -0.00021 0.00017 0.00044 -0.00069 153 2S 0.00082 -0.00047 0.00027 0.00086 -0.00181 154 19 H 1S -0.00017 0.00129 0.00016 -0.00121 0.00096 155 2S -0.00024 0.00125 0.00024 -0.00070 -0.00010 156 20 H 1S 0.00110 -0.00076 -0.00068 0.00057 -0.00193 157 2S 0.00140 -0.00166 -0.00025 0.00089 0.00431 158 21 H 1S -0.00041 0.00014 -0.00006 -0.00038 0.00108 159 2S -0.00114 0.00053 -0.00017 -0.00089 0.00129 160 22 O 1S -0.00013 -0.00001 -0.00007 -0.00018 0.00019 161 2S 0.00056 -0.00003 0.00008 0.00030 0.00028 162 2PX -0.00254 0.00170 -0.00035 -0.00253 0.00315 163 2PY -0.00020 -0.00006 0.00047 0.00051 0.00017 164 2PZ 0.00209 -0.00139 0.00009 0.00235 -0.00406 165 3S 0.00009 0.00011 0.00016 0.00123 -0.00398 166 3PX -0.00180 0.00141 -0.00017 -0.00239 0.00455 167 3PY -0.00005 -0.00014 0.00034 0.00031 0.00079 168 3PZ 0.00199 -0.00138 0.00012 0.00209 -0.00269 169 4XX -0.00002 0.00009 0.00000 -0.00014 0.00028 170 4YY 0.00003 0.00000 -0.00002 -0.00005 0.00012 171 4ZZ 0.00007 -0.00009 0.00001 0.00008 0.00003 172 4XY 0.00009 -0.00006 0.00000 0.00010 -0.00020 173 4XZ 0.00003 -0.00001 -0.00002 0.00002 -0.00012 174 4YZ -0.00006 0.00002 -0.00001 -0.00002 -0.00002 175 23 O 1S 0.00000 0.00015 -0.00004 -0.00002 -0.00010 176 2S -0.00011 -0.00016 0.00009 -0.00007 0.00005 177 2PX -0.00058 -0.00003 -0.00051 0.00033 -0.00034 178 2PY -0.00028 0.00001 0.00026 -0.00006 0.00008 179 2PZ 0.00066 0.00025 0.00007 0.00020 -0.00141 180 3S 0.00054 -0.00178 0.00022 0.00067 0.00235 181 3PX -0.00046 0.00025 -0.00043 0.00025 -0.00114 182 3PY -0.00004 -0.00020 0.00024 0.00007 0.00027 183 3PZ 0.00051 0.00043 0.00015 0.00008 -0.00126 184 4XX -0.00001 0.00007 -0.00002 -0.00004 -0.00010 185 4YY -0.00004 0.00007 0.00000 -0.00003 -0.00015 186 4ZZ -0.00003 0.00009 0.00001 -0.00008 0.00007 187 4XY -0.00003 0.00002 -0.00002 0.00001 -0.00012 188 4XZ 0.00000 -0.00001 0.00001 -0.00001 0.00005 189 4YZ 0.00000 0.00006 0.00000 -0.00005 0.00001 51 52 53 54 55 51 2S 0.17163 52 7 C 1S 0.01887 2.05499 53 2S -0.03229 -0.06133 0.32633 54 2PX 0.07740 0.00315 -0.00484 0.35438 55 2PY -0.00142 -0.00192 -0.00375 0.02302 0.41151 56 2PZ 0.06794 0.00214 0.00093 0.04000 -0.00391 57 3S -0.05898 -0.19781 0.29070 0.01227 0.00351 58 3PX 0.03769 -0.00758 0.01604 0.19638 -0.01983 59 3PY 0.01145 0.00758 0.00820 0.00466 0.13002 60 3PZ 0.01284 0.00298 -0.00462 -0.04852 0.01429 61 4XX 0.00157 -0.01132 -0.01296 -0.00888 -0.00494 62 4YY -0.00515 -0.01838 0.00158 0.00429 0.02195 63 4ZZ 0.00695 -0.01398 -0.00730 0.00781 -0.01079 64 4XY -0.00520 -0.00162 0.00345 -0.00762 0.00005 65 4XZ 0.00176 -0.00249 0.00560 -0.00453 -0.00527 66 4YZ -0.00393 0.00081 -0.00153 -0.00335 -0.00229 67 8 H 1S -0.02724 -0.05969 0.11295 0.02941 0.26415 68 2S -0.03410 -0.01311 0.02597 0.00927 0.24493 69 9 C 1S -0.00047 -0.00202 0.00420 0.00310 -0.00914 70 2S -0.00005 0.00459 -0.00918 -0.00431 0.01813 71 2PX 0.00382 -0.00180 0.00336 0.00565 -0.00361 72 2PY 0.00098 0.01024 -0.02612 -0.00235 0.03528 73 2PZ 0.00410 -0.00336 0.01374 0.00368 -0.00754 74 3S -0.00168 -0.00082 -0.01381 -0.04767 0.07650 75 3PX 0.00383 0.00044 0.00408 0.00897 -0.00860 76 3PY -0.00067 0.00685 -0.01928 -0.00922 0.05188 77 3PZ 0.00421 0.00016 0.00716 0.01325 -0.00333 78 4XX 0.00114 -0.00043 0.00105 0.00160 -0.00085 79 4YY -0.00033 -0.00057 0.00088 0.00257 -0.00192 80 4ZZ -0.00007 0.00018 -0.00091 -0.00295 0.00150 81 4XY -0.00068 0.00034 -0.00060 0.00054 0.00070 82 4XZ 0.00148 -0.00007 0.00013 0.00227 -0.00068 83 4YZ -0.00253 0.00151 -0.00341 -0.00257 0.00453 84 10 H 1S -0.00022 -0.00194 0.00810 -0.00893 -0.00399 85 2S -0.00044 -0.00257 0.00829 -0.01197 -0.01247 86 11 H 1S 0.01033 -0.00421 0.01109 0.01222 -0.01109 87 2S 0.01814 -0.00628 0.01442 0.02774 -0.02015 88 12 C 1S -0.00909 0.01252 -0.02297 -0.02143 0.02956 89 2S 0.02151 -0.02336 0.03914 0.04298 -0.05547 90 2PX -0.02680 0.01707 -0.03370 0.00054 0.02746 91 2PY 0.01592 -0.02349 0.04867 0.02055 -0.03155 92 2PZ -0.06650 0.06432 -0.13741 -0.10104 0.12207 93 3S 0.05147 0.00258 0.02396 0.09359 -0.11181 94 3PX -0.01219 0.00270 -0.01327 -0.00001 0.01602 95 3PY 0.01570 -0.00571 0.01147 0.01357 0.00261 96 3PZ -0.04621 0.01309 -0.04402 -0.04348 0.05774 97 4XX -0.00276 0.00197 -0.00450 -0.00735 0.00167 98 4YY -0.00017 0.00081 -0.00222 -0.00072 0.00983 99 4ZZ 0.00099 -0.00456 0.00848 0.00573 -0.00739 100 4XY -0.00092 0.00115 -0.00204 0.00143 -0.00103 101 4XZ -0.00196 -0.00264 0.00524 -0.00785 -0.00343 102 4YZ -0.00199 0.00410 -0.00767 -0.00392 -0.00341 103 13 H 1S -0.00360 0.00810 -0.02346 -0.00301 0.00514 104 2S -0.00328 0.01255 -0.02989 0.00776 0.01032 105 14 H 1S -0.02288 0.00809 -0.01963 -0.02500 0.00184 106 2S -0.03822 0.01421 -0.02688 -0.08199 0.01218 107 15 C 1S -0.00020 0.00031 0.00016 -0.00231 0.00028 108 2S 0.00145 -0.00014 0.00012 0.00529 -0.00125 109 2PX -0.00178 0.00106 -0.00104 -0.00790 0.00130 110 2PY 0.00108 -0.00029 0.00035 0.00363 0.00068 111 2PZ 0.00026 -0.00089 0.00172 -0.00117 0.00103 112 3S 0.00175 -0.00166 -0.00067 0.01412 -0.00313 113 3PX 0.00061 0.00070 0.00066 -0.00054 -0.00011 114 3PY -0.00008 0.00010 -0.00080 -0.00118 -0.00034 115 3PZ 0.00033 -0.00012 0.00144 -0.01063 0.00170 116 4XX -0.00015 0.00047 -0.00028 -0.00261 0.00032 117 4YY -0.00005 0.00012 -0.00014 -0.00035 0.00024 118 4ZZ 0.00025 -0.00034 0.00032 0.00260 -0.00051 119 4XY 0.00050 -0.00036 0.00075 0.00234 -0.00068 120 4XZ -0.00001 -0.00011 0.00015 0.00004 0.00016 121 4YZ -0.00019 0.00050 -0.00078 -0.00242 0.00047 122 16 C 1S 0.00058 -0.00096 0.00325 0.00345 -0.00441 123 2S -0.00103 0.00309 -0.00397 -0.00801 0.00651 124 2PX 0.00607 -0.00602 0.01970 0.00550 -0.00668 125 2PY -0.00444 0.00166 -0.00257 -0.02186 0.01611 126 2PZ -0.00384 0.00542 -0.01607 -0.01141 0.00646 127 3S -0.00662 -0.00390 -0.01547 -0.01234 0.04106 128 3PX 0.00104 -0.00525 0.01582 0.01447 -0.00810 129 3PY -0.00090 -0.00344 0.00096 -0.00298 0.01500 130 3PZ -0.00986 0.00095 -0.01385 -0.02188 0.00944 131 4XX -0.00018 -0.00015 0.00009 -0.00100 -0.00028 132 4YY -0.00042 0.00008 -0.00002 0.00029 0.00010 133 4ZZ 0.00012 -0.00011 0.00080 0.00016 -0.00085 134 4XY -0.00102 0.00037 -0.00017 -0.00560 0.00231 135 4XZ 0.00048 -0.00016 0.00052 0.00162 -0.00076 136 4YZ 0.00077 -0.00043 0.00030 0.00505 -0.00154 137 17 C 1S -0.00151 -0.00194 0.00260 -0.00844 0.00428 138 2S 0.00011 0.00084 -0.01172 0.01027 -0.00288 139 2PX -0.01516 0.00439 -0.00254 -0.10011 0.03475 140 2PY 0.00607 0.00057 -0.00517 0.02521 -0.01767 141 2PZ 0.00957 -0.00772 0.01091 0.08815 -0.02313 142 3S 0.00975 0.01939 -0.00897 0.03370 -0.03756 143 3PX -0.00671 -0.00116 0.00240 -0.06900 0.02650 144 3PY 0.00049 -0.00042 -0.00592 0.01878 0.00967 145 3PZ 0.01873 0.00289 0.00280 0.07192 -0.01844 146 4XX 0.00029 -0.00166 0.00291 0.00639 -0.00236 147 4YY -0.00018 -0.00015 -0.00072 -0.00200 0.00233 148 4ZZ 0.00021 0.00005 -0.00093 -0.00300 0.00031 149 4XY -0.00046 0.00065 -0.00175 -0.00232 -0.00081 150 4XZ -0.00056 0.00087 -0.00215 -0.00444 0.00155 151 4YZ 0.00024 -0.00069 0.00189 0.00161 0.00050 152 18 H 1S -0.00122 0.00142 -0.00087 -0.01077 0.00153 153 2S -0.00266 0.00191 -0.00083 -0.02157 0.00370 154 19 H 1S 0.00362 -0.00218 0.00570 0.01887 -0.00820 155 2S 0.00234 -0.00428 0.00823 0.02245 -0.01241 156 20 H 1S -0.00036 0.00600 -0.01492 -0.02505 0.00207 157 2S 0.00495 0.00674 -0.01324 -0.02738 0.00707 158 21 H 1S 0.00093 -0.00145 0.00102 0.00985 -0.00186 159 2S 0.00051 -0.00192 0.00051 0.01929 -0.00327 160 22 O 1S 0.00148 -0.00006 0.00124 0.00404 -0.00016 161 2S -0.00270 0.00144 -0.00357 -0.00923 0.00011 162 2PX 0.00741 -0.00871 0.01382 0.06019 -0.01145 163 2PY 0.00120 0.00185 -0.00158 -0.00859 -0.00101 164 2PZ -0.00151 0.00816 -0.00917 -0.05234 0.01313 165 3S -0.00955 -0.00560 -0.00093 -0.01763 0.00058 166 3PX 0.00836 -0.00393 0.01001 0.05169 -0.01067 167 3PY 0.00169 0.00167 -0.00082 -0.00513 -0.00137 168 3PZ -0.00184 0.00725 -0.00761 -0.04914 0.01410 169 4XX 0.00063 0.00024 -0.00022 0.00249 -0.00102 170 4YY 0.00018 0.00041 0.00028 0.00014 0.00053 171 4ZZ -0.00002 0.00077 -0.00013 -0.00221 0.00025 172 4XY -0.00051 0.00030 -0.00069 -0.00263 0.00048 173 4XZ -0.00021 0.00009 -0.00043 -0.00078 0.00004 174 4YZ -0.00026 -0.00035 0.00059 0.00104 0.00015 175 23 O 1S -0.00077 -0.00022 -0.00083 -0.00029 0.00057 176 2S 0.00190 -0.00033 0.00190 0.00261 -0.00159 177 2PX -0.00462 0.00196 -0.01053 -0.00511 0.00636 178 2PY 0.00423 -0.00012 0.00069 0.00506 -0.00592 179 2PZ -0.00297 -0.00038 0.00618 -0.01085 0.00505 180 3S 0.00493 0.00417 0.00260 -0.00465 -0.00354 181 3PX -0.00489 0.00087 -0.00950 -0.00799 0.00668 182 3PY 0.00317 0.00084 0.00063 0.00069 -0.00534 183 3PZ -0.00197 -0.00100 0.00695 -0.00652 0.00313 184 4XX -0.00028 0.00013 -0.00070 -0.00054 0.00032 185 4YY 0.00000 -0.00035 0.00001 0.00039 -0.00001 186 4ZZ 0.00022 -0.00059 0.00049 0.00161 -0.00047 187 4XY -0.00030 -0.00006 -0.00032 0.00006 -0.00005 188 4XZ 0.00015 -0.00001 0.00012 0.00024 -0.00009 189 4YZ 0.00001 0.00000 0.00005 0.00046 -0.00022 56 57 58 59 60 56 2PZ 0.38400 57 3S -0.02808 0.30064 58 3PX -0.03216 0.02130 0.12488 59 3PY 0.01758 -0.00564 -0.00625 0.05321 60 3PZ 0.17019 -0.02582 -0.05271 0.01514 0.09657 61 4XX -0.00137 -0.01129 -0.00518 -0.00167 0.00075 62 4YY -0.00253 0.00386 0.00113 0.00652 -0.00038 63 4ZZ 0.00470 -0.00678 0.00449 -0.00330 -0.00006 64 4XY -0.00415 0.00321 -0.00319 -0.00011 -0.00028 65 4XZ -0.00116 0.00351 -0.00169 -0.00145 0.00063 66 4YZ -0.01081 -0.00060 -0.00006 -0.00162 -0.00357 67 8 H 1S -0.02263 0.11236 0.00497 0.08410 -0.00406 68 2S -0.02197 0.03320 -0.01111 0.07232 0.00216 69 9 C 1S 0.00490 0.00385 0.00368 -0.00396 0.00182 70 2S -0.01663 -0.00944 -0.00479 0.00899 -0.00699 71 2PX 0.00159 0.01293 -0.00201 -0.00016 -0.00416 72 2PY -0.03068 -0.02808 -0.00941 0.01240 -0.02231 73 2PZ 0.02388 -0.00622 0.01452 0.02513 0.02494 74 3S 0.00219 -0.01019 -0.04237 0.02365 0.01383 75 3PX -0.00186 0.00772 0.00407 -0.00202 -0.00495 76 3PY -0.01857 -0.01838 -0.01155 0.01565 -0.00894 77 3PZ 0.01589 -0.00339 0.01370 0.01143 0.01345 78 4XX -0.00003 0.00059 0.00184 0.00079 -0.00002 79 4YY 0.00053 0.00051 0.00138 -0.00036 -0.00117 80 4ZZ 0.00092 -0.00049 -0.00226 -0.00067 0.00161 81 4XY -0.00295 -0.00113 0.00075 0.00018 -0.00084 82 4XZ -0.00232 -0.00027 0.00192 -0.00021 -0.00237 83 4YZ -0.00723 -0.00211 -0.00124 0.00039 -0.00342 84 10 H 1S 0.02444 -0.00360 -0.00076 0.00943 0.02497 85 2S 0.03387 0.00098 -0.00617 0.00178 0.02866 86 11 H 1S 0.01092 0.01103 0.00908 0.00455 0.00279 87 2S 0.01335 0.01061 0.02204 0.00342 -0.00197 88 12 C 1S -0.05185 -0.00158 -0.00447 0.00708 -0.00575 89 2S 0.10798 0.01521 0.01064 -0.01664 0.02431 90 2PX -0.08295 -0.03853 0.00012 0.00296 -0.01547 91 2PY 0.11041 0.03620 0.00742 -0.01298 0.05084 92 2PZ -0.23457 -0.11065 -0.03883 0.01884 -0.09079 93 3S 0.08685 0.00026 0.04852 -0.02854 -0.00063 94 3PX -0.03732 -0.01152 -0.00164 -0.00036 -0.00753 95 3PY 0.05339 0.00988 0.00132 -0.00475 0.02377 96 3PZ -0.11717 -0.02319 -0.01621 0.00275 -0.04788 97 4XX -0.00376 -0.00464 -0.00411 -0.00008 0.00009 98 4YY -0.00224 -0.00177 -0.00125 0.00342 -0.00014 99 4ZZ 0.00104 0.00861 0.00455 -0.00229 -0.00148 100 4XY -0.00361 -0.00248 0.00119 -0.00060 -0.00104 101 4XZ 0.00571 0.00330 -0.00506 -0.00034 0.00512 102 4YZ -0.00869 -0.00613 -0.00155 -0.00276 -0.00415 103 13 H 1S -0.02613 -0.01620 0.00408 -0.00731 -0.02954 104 2S -0.05902 -0.01438 0.01446 -0.00677 -0.04306 105 14 H 1S -0.02345 -0.03205 -0.01668 -0.00582 0.00220 106 2S -0.02900 -0.04475 -0.04620 0.00375 0.01692 107 15 C 1S 0.00028 -0.00427 -0.00078 0.00191 0.00078 108 2S -0.00036 0.00569 0.00092 -0.00097 -0.00391 109 2PX 0.00107 -0.01577 -0.00104 0.00453 0.00866 110 2PY 0.00186 0.00790 -0.00266 0.00141 -0.00228 111 2PZ 0.00273 0.01037 -0.00060 -0.00641 0.00420 112 3S -0.00051 0.00771 0.00509 -0.00322 -0.00672 113 3PX 0.00161 -0.00049 0.00104 -0.00155 0.00251 114 3PY 0.00115 -0.00406 -0.00168 0.00206 0.00054 115 3PZ 0.00865 -0.00686 -0.00525 0.00533 0.00992 116 4XX 0.00062 -0.00398 -0.00129 0.00246 0.00156 117 4YY 0.00036 -0.00117 0.00005 0.00051 0.00071 118 4ZZ -0.00089 0.00503 0.00109 -0.00301 -0.00210 119 4XY -0.00100 0.00072 0.00172 -0.00061 -0.00133 120 4XZ -0.00005 0.00051 -0.00013 0.00009 -0.00040 121 4YZ 0.00097 -0.00382 -0.00104 0.00135 0.00158 122 16 C 1S -0.00066 -0.00040 0.00317 0.00096 -0.00133 123 2S 0.00422 -0.00631 -0.00581 0.00158 0.00434 124 2PX -0.00167 -0.01556 0.01646 0.02125 -0.00020 125 2PY 0.01217 -0.00887 -0.01834 0.00077 0.01980 126 2PZ 0.00573 0.00403 -0.02242 -0.01483 -0.00082 127 3S -0.01991 -0.00131 -0.00671 0.00008 -0.00728 128 3PX -0.01702 -0.00104 0.01960 0.01035 -0.00997 129 3PY -0.01066 -0.00791 0.00145 0.00611 0.00096 130 3PZ -0.00461 0.00823 -0.02259 -0.01129 -0.00260 131 4XX 0.00082 0.00048 -0.00095 -0.00073 0.00042 132 4YY -0.00048 0.00091 0.00000 -0.00033 -0.00013 133 4ZZ 0.00001 -0.00076 0.00059 0.00107 -0.00013 134 4XY 0.00325 -0.00075 -0.00378 0.00101 0.00331 135 4XZ -0.00149 -0.00094 0.00169 0.00101 -0.00148 136 4YZ -0.00330 0.00172 0.00388 -0.00112 -0.00305 137 17 C 1S 0.00245 0.00479 0.00166 0.00191 0.00396 138 2S -0.00673 0.00189 -0.00230 -0.00686 -0.00722 139 2PX 0.05651 -0.00880 -0.06594 0.01522 0.05403 140 2PY -0.00963 0.00295 0.01542 -0.00272 -0.01962 141 2PZ -0.05946 0.03435 0.06244 -0.01960 -0.05024 142 3S 0.01771 0.00634 0.00810 -0.01664 -0.00659 143 3PX 0.05827 -0.01131 -0.04892 0.01406 0.04815 144 3PY -0.01998 0.00142 0.01364 -0.00006 -0.01789 145 3PZ -0.02544 0.01277 0.04703 -0.01041 -0.03219 146 4XX -0.00506 0.00712 0.00462 -0.00312 -0.00457 147 4YY 0.00114 -0.00221 -0.00123 0.00109 0.00142 148 4ZZ 0.00308 -0.00432 -0.00194 0.00251 0.00258 149 4XY 0.00135 0.00026 -0.00166 -0.00187 0.00108 150 4XZ 0.00101 -0.00174 -0.00304 0.00075 0.00144 151 4YZ -0.00103 -0.00001 0.00253 0.00115 0.00021 152 18 H 1S 0.00282 -0.01834 -0.00436 0.01007 0.00827 153 2S 0.00566 -0.02971 -0.00959 0.01786 0.01474 154 19 H 1S -0.01269 0.00326 0.01991 0.00386 -0.01165 155 2S -0.02171 0.00517 0.02252 0.00369 -0.01651 156 20 H 1S 0.02148 -0.01941 -0.02450 0.00644 0.01187 157 2S 0.02822 -0.02513 -0.02494 0.01127 0.01828 158 21 H 1S -0.00338 0.02158 0.00373 -0.01273 -0.00671 159 2S -0.01359 0.03435 0.00893 -0.02261 -0.01662 160 22 O 1S 0.00063 -0.00071 -0.00229 0.00275 -0.00410 161 2S 0.00160 0.00712 0.00370 -0.00818 0.00912 162 2PX -0.01992 0.06014 0.03304 -0.03526 -0.03603 163 2PY 0.00434 -0.03805 0.01207 0.00553 0.01762 164 2PZ 0.02773 -0.09381 -0.02385 0.05513 0.04422 165 3S -0.01791 0.00110 0.00862 -0.00729 0.00834 166 3PX -0.01445 0.04692 0.02864 -0.02790 -0.02875 167 3PY 0.00722 -0.02464 0.00709 0.00345 0.01326 168 3PZ 0.03125 -0.06966 -0.02556 0.04140 0.04032 169 4XX -0.00083 -0.00102 0.00166 0.00027 -0.00089 170 4YY 0.00077 0.00234 -0.00115 -0.00011 -0.00071 171 4ZZ 0.00242 0.00016 -0.00189 -0.00023 0.00145 172 4XY 0.00036 -0.00189 -0.00172 0.00110 0.00119 173 4XZ 0.00006 0.00061 -0.00060 -0.00050 0.00008 174 4YZ -0.00079 0.00343 0.00027 -0.00176 -0.00116 175 23 O 1S -0.00037 0.00478 0.00034 -0.00292 -0.00037 176 2S -0.00241 -0.01174 0.00062 0.00710 -0.00261 177 2PX 0.00385 0.01339 -0.00598 -0.01720 0.00465 178 2PY -0.00207 -0.01503 0.01029 0.00351 -0.00628 179 2PZ 0.00367 -0.00939 -0.00676 0.01292 0.01134 180 3S 0.01628 -0.02205 -0.00576 0.01075 0.01416 181 3PX 0.00036 0.00989 -0.00764 -0.01269 0.00164 182 3PY 0.00211 -0.01203 0.00556 0.00296 -0.00119 183 3PZ 0.00013 -0.00808 -0.00205 0.01200 0.00636 184 4XX -0.00035 -0.00027 -0.00061 -0.00014 -0.00022 185 4YY -0.00100 -0.00009 0.00059 0.00005 -0.00109 186 4ZZ -0.00143 0.00112 0.00155 -0.00034 -0.00116 187 4XY -0.00023 0.00078 0.00003 -0.00066 -0.00012 188 4XZ -0.00015 -0.00042 0.00039 0.00024 -0.00009 189 4YZ -0.00048 0.00012 0.00021 0.00012 -0.00030 61 62 63 64 65 61 4XX 0.00149 62 4YY -0.00052 0.00186 63 4ZZ 0.00007 -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 0.01671 -0.00993 0.00155 -0.00194 68 2S -0.00501 0.01588 -0.00874 0.00135 -0.00309 69 9 C 1S 0.00030 -0.00148 0.00048 0.00034 0.00008 70 2S -0.00104 0.00319 -0.00116 -0.00074 -0.00025 71 2PX 0.00016 -0.00054 0.00018 -0.00001 -0.00082 72 2PY -0.00101 0.00818 -0.00392 -0.00173 -0.00099 73 2PZ 0.00235 -0.00101 0.00006 0.00056 -0.00056 74 3S -0.00084 0.00541 -0.00338 -0.00077 -0.00033 75 3PX 0.00010 -0.00059 0.00022 -0.00018 -0.00058 76 3PY -0.00038 0.00566 -0.00313 -0.00045 -0.00110 77 3PZ 0.00079 0.00002 -0.00023 0.00014 -0.00060 78 4XX 0.00012 -0.00023 0.00006 0.00006 -0.00005 79 4YY -0.00021 0.00009 0.00022 -0.00008 0.00008 80 4ZZ 0.00010 -0.00009 -0.00005 0.00001 0.00003 81 4XY 0.00020 0.00003 -0.00016 -0.00002 0.00028 82 4XZ -0.00014 -0.00003 0.00008 0.00002 0.00001 83 4YZ 0.00004 0.00020 -0.00002 0.00012 -0.00009 84 10 H 1S 0.00137 -0.00100 -0.00013 0.00010 0.00069 85 2S 0.00250 -0.00204 -0.00038 -0.00006 0.00099 86 11 H 1S -0.00024 -0.00155 0.00123 0.00018 -0.00082 87 2S -0.00114 -0.00211 0.00239 0.00041 -0.00093 88 12 C 1S 0.00165 0.00168 -0.00512 0.00133 -0.00200 89 2S -0.00384 -0.00346 0.00885 -0.00249 0.00367 90 2PX 0.00730 0.00095 -0.00570 -0.00081 0.00911 91 2PY -0.00065 -0.00950 0.00773 0.00065 0.00272 92 2PZ 0.00545 0.00364 0.00068 0.00406 -0.00358 93 3S -0.00365 -0.00684 0.01172 -0.00382 0.00372 94 3PX 0.00317 0.00064 -0.00266 -0.00044 0.00422 95 3PY -0.00081 -0.00362 0.00391 -0.00012 0.00107 96 3PZ 0.00129 0.00256 -0.00033 0.00239 -0.00117 97 4XX 0.00055 -0.00029 0.00004 0.00017 0.00026 98 4YY -0.00011 0.00085 -0.00055 -0.00004 -0.00019 99 4ZZ -0.00043 -0.00039 0.00029 0.00001 -0.00011 100 4XY 0.00026 -0.00005 -0.00009 -0.00006 0.00038 101 4XZ 0.00024 -0.00016 -0.00052 0.00012 0.00062 102 4YZ 0.00030 -0.00031 0.00033 0.00008 -0.00002 103 13 H 1S -0.00244 -0.00242 0.00811 0.00106 -0.00402 104 2S -0.00103 -0.00166 0.00534 0.00102 -0.00503 105 14 H 1S 0.00458 -0.00287 0.00116 0.00002 0.00707 106 2S 0.00610 -0.00199 -0.00220 0.00147 0.00575 107 15 C 1S 0.00004 0.00013 0.00003 0.00003 0.00016 108 2S 0.00020 -0.00018 0.00009 0.00003 -0.00059 109 2PX 0.00021 0.00006 -0.00010 -0.00012 0.00040 110 2PY -0.00035 0.00002 0.00026 -0.00017 -0.00029 111 2PZ -0.00101 0.00037 0.00014 0.00013 0.00018 112 3S 0.00069 -0.00020 -0.00002 -0.00016 -0.00113 113 3PX -0.00030 -0.00012 0.00010 -0.00009 0.00002 114 3PY 0.00023 -0.00008 0.00009 -0.00006 -0.00014 115 3PZ -0.00113 0.00041 0.00050 0.00026 0.00024 116 4XX 0.00006 0.00002 0.00004 0.00004 0.00007 117 4YY -0.00003 0.00002 0.00002 -0.00003 -0.00003 118 4ZZ -0.00004 -0.00004 -0.00008 -0.00001 0.00000 119 4XY -0.00015 0.00002 0.00010 0.00001 0.00004 120 4XZ -0.00006 0.00002 0.00001 0.00002 0.00002 121 4YZ 0.00024 -0.00002 -0.00009 0.00000 -0.00009 122 16 C 1S -0.00050 -0.00011 0.00057 0.00027 0.00026 123 2S 0.00121 0.00040 -0.00090 -0.00041 -0.00034 124 2PX -0.00642 0.00097 0.00319 0.00142 0.00302 125 2PY -0.00219 0.00126 0.00002 -0.00057 0.00109 126 2PZ 0.00551 -0.00060 -0.00255 -0.00099 -0.00228 127 3S 0.00314 0.00159 -0.00306 -0.00029 -0.00172 128 3PX -0.00457 0.00070 0.00203 0.00087 0.00155 129 3PY -0.00247 0.00134 0.00063 0.00000 0.00055 130 3PZ 0.00448 -0.00045 -0.00256 -0.00032 -0.00176 131 4XX 0.00002 -0.00003 -0.00003 0.00001 -0.00002 132 4YY 0.00001 0.00000 -0.00004 -0.00001 -0.00003 133 4ZZ -0.00011 0.00000 0.00012 0.00007 0.00008 134 4XY -0.00023 0.00013 -0.00002 0.00010 0.00023 135 4XZ -0.00002 -0.00001 0.00009 0.00005 -0.00002 136 4YZ 0.00021 -0.00009 -0.00009 -0.00009 -0.00015 137 17 C 1S -0.00149 0.00012 -0.00031 0.00016 0.00082 138 2S 0.00264 -0.00134 -0.00051 -0.00064 -0.00233 139 2PX -0.00496 0.00229 0.00005 0.00256 0.00541 140 2PY 0.00346 -0.00230 0.00012 0.00041 -0.00262 141 2PZ 0.00291 -0.00079 -0.00138 -0.00185 -0.00200 142 3S 0.00472 -0.00364 -0.00023 -0.00142 -0.00285 143 3PX -0.00307 0.00184 -0.00014 0.00135 0.00369 144 3PY 0.00193 0.00001 -0.00089 0.00003 -0.00203 145 3PZ 0.00247 -0.00113 -0.00026 -0.00168 -0.00204 146 4XX -0.00044 0.00003 0.00011 0.00002 0.00022 147 4YY 0.00004 0.00015 -0.00007 -0.00001 -0.00004 148 4ZZ 0.00018 -0.00003 0.00003 0.00004 -0.00003 149 4XY 0.00038 -0.00013 -0.00018 -0.00002 -0.00006 150 4XZ 0.00023 -0.00003 -0.00010 0.00009 -0.00003 151 4YZ -0.00043 0.00015 0.00011 0.00003 0.00023 152 18 H 1S 0.00012 0.00009 0.00020 0.00012 0.00031 153 2S -0.00027 0.00042 0.00041 0.00035 0.00087 154 19 H 1S -0.00039 -0.00023 0.00048 0.00024 0.00001 155 2S -0.00120 -0.00023 0.00102 0.00025 0.00013 156 20 H 1S 0.00237 -0.00130 0.00016 0.00041 -0.00177 157 2S 0.00128 -0.00061 0.00053 0.00025 -0.00071 158 21 H 1S -0.00017 -0.00012 -0.00023 0.00000 -0.00017 159 2S 0.00052 -0.00042 -0.00083 -0.00028 -0.00005 160 22 O 1S 0.00035 0.00017 0.00016 -0.00005 -0.00011 161 2S -0.00046 -0.00051 -0.00055 0.00017 0.00025 162 2PX -0.00294 0.00016 0.00088 -0.00094 0.00017 163 2PY 0.00031 0.00000 0.00001 -0.00031 -0.00046 164 2PZ 0.00201 0.00057 0.00045 -0.00014 -0.00175 165 3S -0.00246 0.00010 0.00027 0.00047 0.00070 166 3PX -0.00148 -0.00019 0.00035 -0.00083 -0.00011 167 3PY 0.00033 -0.00005 -0.00007 -0.00030 -0.00019 168 3PZ 0.00128 0.00055 0.00015 0.00014 -0.00076 169 4XX 0.00033 -0.00011 -0.00007 -0.00008 -0.00020 170 4YY -0.00001 0.00002 -0.00005 0.00002 0.00001 171 4ZZ -0.00001 -0.00003 -0.00002 0.00004 0.00007 172 4XY 0.00010 0.00001 -0.00005 0.00003 0.00002 173 4XZ -0.00002 -0.00003 0.00000 0.00003 -0.00005 174 4YZ -0.00021 0.00004 0.00000 0.00003 0.00017 175 23 O 1S 0.00005 -0.00013 -0.00024 -0.00001 -0.00001 176 2S 0.00009 0.00025 0.00047 0.00007 -0.00013 177 2PX 0.00284 -0.00074 -0.00252 -0.00087 -0.00149 178 2PY 0.00057 -0.00051 0.00016 0.00024 -0.00050 179 2PZ -0.00300 0.00126 0.00186 0.00054 0.00179 180 3S -0.00127 0.00029 0.00152 -0.00019 0.00050 181 3PX 0.00285 -0.00057 -0.00228 -0.00059 -0.00134 182 3PY 0.00037 -0.00046 0.00020 0.00018 -0.00030 183 3PZ -0.00271 0.00102 0.00155 0.00056 0.00155 184 4XX 0.00027 -0.00002 -0.00012 -0.00002 -0.00009 185 4YY 0.00006 -0.00002 -0.00004 0.00003 -0.00004 186 4ZZ -0.00011 -0.00001 0.00003 0.00002 0.00003 187 4XY 0.00012 -0.00005 -0.00008 -0.00001 -0.00007 188 4XZ -0.00002 0.00001 0.00002 0.00000 0.00001 189 4YZ 0.00002 0.00000 0.00004 0.00001 -0.00002 66 67 68 69 70 66 4YZ 0.00065 67 8 H 1S -0.00169 0.21714 68 2S -0.00104 0.17586 0.16496 69 9 C 1S 0.00110 -0.00717 -0.00907 2.05092 70 2S -0.00199 0.01458 0.01876 -0.05341 0.30682 71 2PX 0.00032 -0.00151 -0.00484 -0.00089 0.00094 72 2PY -0.00724 0.03618 0.06045 0.00199 -0.00121 73 2PZ 0.00107 -0.00434 -0.01994 -0.00339 0.00249 74 3S -0.00250 0.04599 0.05206 -0.18586 0.27975 75 3PX 0.00018 -0.00396 -0.00611 -0.00226 0.00385 76 3PY -0.00318 0.03698 0.04915 -0.00044 -0.00253 77 3PZ 0.00055 -0.00019 -0.00658 -0.00163 0.00937 78 4XX 0.00021 -0.00081 -0.00228 -0.01787 0.00019 79 4YY -0.00034 -0.00011 0.00023 -0.01551 -0.00514 80 4ZZ 0.00021 -0.00001 0.00044 -0.01630 -0.00351 81 4XY 0.00007 0.00029 0.00036 0.00055 -0.00106 82 4XZ -0.00004 -0.00020 -0.00044 0.00050 -0.00110 83 4YZ 0.00018 0.00198 0.00306 0.00140 -0.00269 84 10 H 1S 0.00105 -0.00529 -0.01306 -0.05287 0.10195 85 2S 0.00117 -0.01224 -0.01808 -0.00700 0.02105 86 11 H 1S 0.00098 -0.00724 -0.01829 -0.05307 0.10305 87 2S 0.00075 -0.01154 -0.02512 -0.00471 0.02008 88 12 C 1S 0.00340 0.01166 0.01409 0.01015 -0.01941 89 2S -0.00664 -0.02374 -0.02635 -0.01941 0.03034 90 2PX 0.00319 0.00668 0.01506 0.00027 -0.00112 91 2PY 0.00439 -0.03133 -0.05916 0.06234 -0.12842 92 2PZ 0.00854 0.03239 0.06668 0.00368 -0.00768 93 3S -0.00655 -0.06426 -0.06879 0.00627 0.00956 94 3PX 0.00139 0.00613 0.00961 0.00051 -0.00149 95 3PY 0.00182 -0.00753 -0.01769 0.01398 -0.04159 96 3PZ 0.00426 0.02545 0.03802 0.00321 -0.00963 97 4XX 0.00039 -0.00156 -0.00043 0.00206 -0.00506 98 4YY -0.00020 0.00650 0.00718 -0.00683 0.01180 99 4ZZ 0.00009 -0.00183 -0.00457 0.00208 -0.00477 100 4XY 0.00013 -0.00121 -0.00058 -0.00001 0.00002 101 4XZ -0.00011 -0.00093 -0.00158 -0.00011 0.00018 102 4YZ 0.00031 -0.00478 -0.00206 0.00032 -0.00030 103 13 H 1S 0.00144 -0.00897 -0.00497 0.00840 -0.02008 104 2S 0.00280 -0.00567 -0.00227 0.01010 -0.02084 105 14 H 1S 0.00220 -0.01340 -0.00728 0.00761 -0.02000 106 2S 0.00328 -0.01059 -0.00004 0.00792 -0.01756 107 15 C 1S 0.00007 0.00003 0.00032 -0.00065 0.00136 108 2S -0.00011 -0.00057 -0.00251 0.00156 -0.00372 109 2PX 0.00005 -0.00048 0.00236 -0.00189 0.00416 110 2PY -0.00002 0.00079 -0.00311 0.00001 0.00040 111 2PZ -0.00016 0.00233 0.00527 0.00280 -0.00422 112 3S -0.00013 -0.00148 -0.00319 0.00356 -0.00478 113 3PX 0.00009 -0.00031 0.00078 0.00052 -0.00167 114 3PY 0.00004 -0.00086 -0.00100 0.00086 -0.00110 115 3PZ -0.00028 0.00146 0.00219 0.00189 -0.00206 116 4XX -0.00002 -0.00016 -0.00032 -0.00032 0.00025 117 4YY 0.00000 0.00008 0.00021 -0.00006 0.00027 118 4ZZ 0.00001 0.00006 0.00022 0.00026 -0.00041 119 4XY -0.00001 0.00003 -0.00011 0.00015 -0.00060 120 4XZ 0.00000 0.00021 0.00000 0.00001 -0.00004 121 4YZ 0.00001 -0.00029 0.00036 -0.00031 0.00062 122 16 C 1S -0.00015 -0.00154 -0.00261 -0.00160 0.00237 123 2S 0.00011 0.00206 0.00376 0.00232 -0.00724 124 2PX -0.00055 0.00479 -0.00464 -0.00601 0.01600 125 2PY 0.00046 0.00970 0.01643 -0.00138 0.00411 126 2PZ 0.00052 -0.00401 0.00638 0.00521 -0.01806 127 3S 0.00055 0.02037 0.02623 0.00606 -0.00124 128 3PX -0.00013 0.00386 -0.00368 -0.00470 0.01725 129 3PY 0.00041 0.01136 0.01246 -0.00098 0.01047 130 3PZ 0.00045 -0.00076 0.00671 0.00664 -0.00697 131 4XX 0.00004 -0.00022 0.00028 -0.00063 0.00056 132 4YY 0.00001 0.00017 0.00015 0.00003 -0.00028 133 4ZZ -0.00007 -0.00023 -0.00083 -0.00062 0.00051 134 4XY -0.00004 0.00116 0.00147 -0.00037 0.00055 135 4XZ 0.00000 -0.00024 -0.00089 0.00066 -0.00101 136 4YZ 0.00003 -0.00057 -0.00104 0.00023 -0.00046 137 17 C 1S -0.00007 0.00408 0.00292 -0.00135 0.00331 138 2S 0.00042 -0.00634 -0.00297 0.00251 -0.00446 139 2PX -0.00117 0.01727 0.02259 -0.00749 0.01643 140 2PY -0.00042 -0.01446 -0.01733 0.00026 -0.00225 141 2PZ 0.00099 -0.00486 -0.01181 0.00676 -0.01383 142 3S -0.00038 -0.02949 -0.02847 0.00525 -0.02179 143 3PX -0.00132 0.01403 0.01789 -0.00501 0.00780 144 3PY 0.00012 0.00485 0.00477 0.00098 0.00160 145 3PZ 0.00000 -0.00815 -0.01338 0.00473 -0.01516 146 4XX 0.00008 0.00033 -0.00067 0.00003 0.00002 147 4YY -0.00001 0.00113 0.00161 -0.00008 0.00002 148 4ZZ -0.00010 -0.00055 -0.00050 -0.00049 0.00104 149 4XY -0.00001 -0.00137 -0.00017 0.00020 -0.00069 150 4XZ 0.00000 -0.00012 0.00046 0.00000 -0.00019 151 4YZ -0.00001 0.00127 0.00062 -0.00011 0.00086 152 18 H 1S -0.00004 -0.00050 -0.00051 -0.00148 0.00242 153 2S -0.00013 0.00055 0.00035 -0.00291 0.00563 154 19 H 1S -0.00028 -0.00202 -0.00894 0.00046 0.00109 155 2S -0.00010 -0.00285 -0.01063 0.00048 0.00573 156 20 H 1S -0.00041 -0.00805 -0.00416 -0.00132 0.00099 157 2S -0.00067 -0.00435 -0.00116 -0.00232 0.00125 158 21 H 1S 0.00002 0.00045 0.00163 0.00270 -0.00472 159 2S 0.00029 0.00001 0.00218 -0.00011 -0.00129 160 22 O 1S 0.00000 0.00030 -0.00252 0.00035 -0.00090 161 2S -0.00013 -0.00116 0.00539 -0.00036 0.00121 162 2PX 0.00009 0.00314 -0.00053 0.00403 -0.00893 163 2PY -0.00005 -0.00246 0.00904 -0.00108 0.00204 164 2PZ -0.00007 -0.00083 -0.00038 -0.00486 0.01104 165 3S 0.00071 0.00162 0.01045 -0.00302 0.00783 166 3PX -0.00009 0.00071 -0.00212 0.00391 -0.00955 167 3PY -0.00017 -0.00216 0.00531 -0.00036 0.00118 168 3PZ -0.00036 0.00107 0.00269 -0.00478 0.00936 169 4XX -0.00001 -0.00078 -0.00088 0.00039 -0.00038 170 4YY -0.00004 0.00045 -0.00030 0.00020 -0.00039 171 4ZZ -0.00006 -0.00011 0.00018 0.00013 0.00006 172 4XY 0.00002 -0.00008 0.00009 -0.00012 0.00032 173 4XZ 0.00000 -0.00013 0.00014 -0.00004 0.00003 174 4YZ 0.00002 0.00054 0.00048 0.00012 -0.00006 175 23 O 1S 0.00001 0.00027 0.00064 -0.00055 0.00099 176 2S 0.00003 -0.00065 -0.00182 0.00228 -0.00252 177 2PX 0.00036 -0.00042 0.00852 -0.00379 0.01216 178 2PY 0.00001 -0.00414 -0.00308 -0.00114 -0.00118 179 2PZ -0.00037 0.00615 0.00134 0.00311 -0.00877 180 3S -0.00001 -0.00284 -0.00272 -0.00116 -0.00488 181 3PX 0.00031 0.00000 0.00714 -0.00096 0.00699 182 3PY -0.00001 -0.00403 -0.00308 -0.00085 -0.00248 183 3PZ -0.00033 0.00529 0.00040 0.00116 -0.00346 184 4XX 0.00000 -0.00014 0.00008 0.00046 -0.00072 185 4YY 0.00001 0.00004 -0.00003 0.00040 -0.00042 186 4ZZ -0.00001 0.00006 -0.00024 0.00021 0.00056 187 4XY 0.00001 -0.00017 0.00002 -0.00008 0.00060 188 4XZ 0.00000 0.00000 -0.00006 0.00030 -0.00048 189 4YZ -0.00002 -0.00008 -0.00028 0.00031 -0.00067 71 72 73 74 75 71 2PX 0.41187 72 2PY -0.00499 0.38125 73 2PZ -0.00312 -0.00574 0.38896 74 3S -0.00648 0.00793 -0.02478 0.30208 75 3PX 0.18595 -0.00356 0.00070 -0.00138 0.08584 76 3PY 0.00076 0.17352 -0.00966 0.00728 -0.00186 77 3PZ 0.00744 -0.00608 0.17988 -0.00699 0.00654 78 4XX 0.01071 -0.01029 0.01116 -0.00035 0.00491 79 4YY 0.00056 0.01508 -0.00103 -0.00513 0.00020 80 4ZZ -0.01052 -0.00819 -0.00581 -0.00015 -0.00477 81 4XY -0.01581 0.00029 0.00039 -0.00117 -0.00724 82 4XZ 0.01495 -0.00053 -0.01186 -0.00235 0.00665 83 4YZ -0.00003 0.00069 -0.01284 -0.00251 -0.00016 84 10 H 1S -0.18026 -0.08046 0.17916 0.09108 -0.07908 85 2S -0.16495 -0.06622 0.15932 0.01902 -0.07322 86 11 H 1S 0.24405 -0.09284 0.06754 0.08094 0.11186 87 2S 0.21324 -0.07583 0.05578 -0.00680 0.09432 88 12 C 1S 0.00027 -0.06234 0.00368 0.00627 0.00051 89 2S -0.00112 0.12842 -0.00768 0.00956 -0.00149 90 2PX -0.00075 0.00197 0.00493 0.00445 -0.00514 91 2PY -0.00197 -0.31488 0.00211 -0.12579 -0.00285 92 2PZ 0.00493 -0.00212 0.00696 -0.00425 -0.00109 93 3S 0.00445 0.12579 -0.00425 -0.03255 0.00252 94 3PX -0.00514 0.00285 -0.00109 0.00252 -0.00533 95 3PY -0.00014 -0.14639 -0.01479 -0.03364 -0.00180 96 3PZ -0.00073 0.00207 -0.00677 -0.00816 -0.00276 97 4XX -0.00024 -0.00708 0.00043 -0.00421 -0.00048 98 4YY -0.00037 0.00827 0.00046 0.01297 -0.00018 99 4ZZ 0.00063 -0.00813 0.00082 -0.00656 0.00073 100 4XY -0.01155 0.00033 0.00029 -0.00016 -0.00535 101 4XZ -0.00064 -0.00060 0.00059 0.00163 -0.00063 102 4YZ 0.00043 0.00007 -0.01048 -0.00039 0.00012 103 13 H 1S 0.01885 -0.02734 -0.01613 -0.03335 0.00937 104 2S 0.03502 -0.05262 -0.02228 -0.03229 0.01824 105 14 H 1S -0.02272 -0.02938 -0.00278 -0.01941 -0.01473 106 2S -0.04406 -0.05180 -0.00223 -0.00380 -0.02327 107 15 C 1S 0.00329 -0.00005 0.00042 0.00215 0.00092 108 2S -0.00906 -0.00032 -0.00082 -0.00212 -0.00274 109 2PX 0.00785 0.00096 0.00237 0.00321 0.00252 110 2PY 0.00185 0.00005 0.00246 -0.00569 0.00021 111 2PZ -0.01831 0.00432 -0.00495 -0.01749 -0.00966 112 3S -0.01117 0.00019 -0.00239 -0.00294 -0.00370 113 3PX -0.00735 -0.00475 0.00092 -0.00222 -0.00300 114 3PY -0.00495 0.00071 0.00067 -0.00042 0.00015 115 3PZ -0.01917 0.00415 -0.00710 -0.00571 -0.01055 116 4XX 0.00064 0.00036 0.00001 0.00117 -0.00002 117 4YY 0.00022 0.00026 -0.00012 -0.00037 -0.00006 118 4ZZ -0.00038 -0.00035 -0.00005 -0.00068 0.00030 119 4XY -0.00009 0.00014 0.00029 -0.00087 -0.00002 120 4XZ -0.00050 0.00006 0.00002 0.00078 -0.00006 121 4YZ 0.00027 -0.00019 -0.00046 0.00189 0.00109 122 16 C 1S 0.00275 0.00037 -0.00219 0.00255 0.00447 123 2S -0.00839 0.00112 0.01167 -0.00748 -0.00430 124 2PX 0.01449 0.00148 -0.01970 0.01135 0.01166 125 2PY 0.00285 0.00184 -0.00129 -0.00173 0.00523 126 2PZ -0.01389 0.00169 0.01865 -0.00088 0.00415 127 3S -0.00166 -0.00813 -0.01871 0.00821 -0.00074 128 3PX 0.02394 0.00042 -0.03174 0.00614 0.01151 129 3PY 0.00749 -0.00131 -0.02065 0.01294 0.00524 130 3PZ -0.00779 -0.00013 0.00120 0.00619 -0.00038 131 4XX 0.00092 0.00003 -0.00036 0.00265 0.00163 132 4YY -0.00017 0.00039 0.00086 -0.00173 -0.00055 133 4ZZ 0.00050 0.00048 -0.00154 0.00031 -0.00056 134 4XY -0.00007 0.00037 -0.00068 0.00252 -0.00074 135 4XZ -0.00114 0.00007 0.00209 -0.00127 -0.00019 136 4YZ 0.00049 -0.00025 0.00104 -0.00140 0.00029 137 17 C 1S 0.00010 0.00131 -0.00447 0.00485 -0.00199 138 2S -0.00034 -0.00181 0.00621 -0.00904 0.00102 139 2PX -0.00553 0.00836 -0.02316 0.04192 -0.01622 140 2PY 0.00294 -0.00296 -0.00041 0.00883 0.00246 141 2PZ 0.00340 -0.00671 0.01780 -0.03612 0.00600 142 3S -0.00052 -0.00381 0.04389 -0.04200 0.00318 143 3PX -0.01195 0.01243 -0.01016 0.02839 -0.01262 144 3PY 0.00919 -0.00419 -0.00923 0.00534 0.00701 145 3PZ 0.00205 -0.00047 0.02306 -0.03137 0.00618 146 4XX -0.00010 -0.00020 -0.00037 -0.00109 -0.00047 147 4YY -0.00039 0.00053 0.00052 0.00032 0.00016 148 4ZZ 0.00049 0.00051 -0.00123 0.00204 0.00013 149 4XY -0.00069 0.00008 0.00080 0.00000 -0.00060 150 4XZ -0.00064 0.00001 0.00047 0.00124 -0.00079 151 4YZ 0.00045 -0.00028 -0.00108 -0.00020 -0.00027 152 18 H 1S 0.00372 0.00104 0.00045 0.00557 0.00050 153 2S 0.00933 0.00522 -0.00187 0.00912 0.00122 154 19 H 1S 0.00160 -0.00109 -0.00103 -0.00629 -0.00654 155 2S 0.00505 0.00098 -0.00802 -0.00090 -0.00371 156 20 H 1S -0.00111 0.00171 -0.00124 0.01424 0.00070 157 2S -0.00626 0.00757 -0.00091 0.01825 -0.00230 158 21 H 1S -0.00803 -0.00102 -0.00060 -0.01209 -0.00231 159 2S 0.01068 -0.00204 0.00671 -0.00941 0.00804 160 22 O 1S -0.00001 -0.00021 0.00074 -0.00140 0.00066 161 2S 0.00059 0.00149 -0.00001 0.00521 -0.00116 162 2PX 0.00209 0.00085 0.00993 -0.02577 0.00458 163 2PY 0.00350 0.00314 -0.00004 0.00373 0.01137 164 2PZ 0.00418 0.00133 -0.00777 0.01641 0.00983 165 3S -0.00134 -0.00365 -0.01230 0.00765 -0.00274 166 3PX 0.00212 0.00073 0.01197 -0.02366 0.00319 167 3PY 0.00402 0.00359 0.00176 0.00328 0.00885 168 3PZ 0.00349 0.00254 -0.00680 0.01701 0.00548 169 4XX 0.00086 0.00007 0.00102 -0.00092 0.00070 170 4YY -0.00015 0.00010 0.00069 -0.00005 -0.00042 171 4ZZ -0.00014 0.00042 -0.00005 0.00064 -0.00017 172 4XY -0.00016 0.00007 -0.00049 0.00066 -0.00030 173 4XZ -0.00017 0.00007 -0.00004 0.00026 -0.00021 174 4YZ 0.00007 -0.00019 -0.00002 -0.00011 -0.00039 175 23 O 1S 0.00447 -0.00124 -0.00164 0.00837 0.00231 176 2S -0.00961 0.00339 0.00099 -0.01855 -0.00415 177 2PX 0.01821 -0.00614 -0.00592 0.01251 0.01345 178 2PY 0.00505 -0.00451 0.00075 0.03108 0.01808 179 2PZ -0.02212 0.00844 -0.00282 -0.02062 -0.03042 180 3S -0.02701 0.00435 0.01800 -0.02749 -0.01420 181 3PX 0.01209 -0.00447 -0.00652 0.00875 0.01046 182 3PY -0.00199 -0.00334 0.00534 0.01879 0.00958 183 3PZ -0.01267 0.00584 -0.00686 -0.01344 -0.01983 184 4XX -0.00019 0.00039 0.00000 -0.00045 -0.00034 185 4YY -0.00023 -0.00003 -0.00064 0.00149 0.00081 186 4ZZ 0.00143 -0.00010 -0.00159 -0.00030 0.00048 187 4XY 0.00078 -0.00045 -0.00066 0.00034 0.00029 188 4XZ -0.00179 0.00033 0.00045 -0.00070 -0.00073 189 4YZ -0.00146 0.00046 -0.00005 -0.00141 -0.00148 76 77 78 79 80 76 3PY 0.08588 77 3PZ -0.00766 0.09074 78 4XX -0.00456 0.00529 0.00113 79 4YY 0.00601 -0.00086 -0.00033 0.00121 80 4ZZ -0.00318 -0.00239 -0.00017 -0.00033 0.00105 81 4XY -0.00004 -0.00023 -0.00040 0.00003 0.00038 82 4XZ 0.00025 -0.00508 0.00023 0.00007 -0.00033 83 4YZ 0.00092 -0.00612 -0.00042 0.00025 0.00018 84 10 H 1S -0.04180 0.08295 0.00243 -0.00576 0.00363 85 2S -0.03400 0.07121 0.00131 -0.00434 0.00445 86 11 H 1S -0.04141 0.03915 0.01149 -0.00486 -0.00663 87 2S -0.02999 0.02565 0.01043 -0.00282 -0.00647 88 12 C 1S -0.01398 0.00321 0.00206 -0.00683 0.00208 89 2S 0.04159 -0.00962 -0.00506 0.01180 -0.00477 90 2PX 0.00014 -0.00073 -0.00024 -0.00037 0.00063 91 2PY -0.14639 -0.00208 0.00708 -0.00827 0.00813 92 2PZ 0.01478 -0.00677 0.00043 0.00046 0.00082 93 3S 0.03364 -0.00816 -0.00421 0.01297 -0.00656 94 3PX 0.00180 -0.00275 -0.00048 -0.00018 0.00073 95 3PY -0.06475 -0.00906 0.00296 -0.00461 0.00444 96 3PZ 0.00906 -0.00863 -0.00045 0.00072 0.00072 97 4XX -0.00296 -0.00045 0.00013 -0.00014 0.00028 98 4YY 0.00461 0.00072 -0.00014 -0.00006 -0.00018 99 4ZZ -0.00444 0.00072 0.00028 -0.00018 0.00011 100 4XY -0.00021 -0.00024 -0.00031 0.00002 0.00028 101 4XZ -0.00052 0.00015 -0.00004 -0.00013 0.00008 102 4YZ 0.00009 -0.00526 -0.00030 0.00010 0.00016 103 13 H 1S -0.01272 -0.01225 0.00039 0.00276 -0.00025 104 2S -0.02122 -0.01141 0.00188 -0.00032 0.00040 105 14 H 1S -0.01811 -0.00845 -0.00095 0.00174 0.00161 106 2S -0.02463 -0.00582 -0.00070 -0.00149 0.00325 107 15 C 1S -0.00061 -0.00086 -0.00002 0.00007 -0.00007 108 2S 0.00100 0.00004 -0.00013 -0.00026 0.00031 109 2PX -0.00027 -0.00165 -0.00008 0.00029 -0.00045 110 2PY -0.00102 0.00025 0.00010 -0.00006 -0.00004 111 2PZ 0.00547 0.00070 -0.00011 0.00016 0.00025 112 3S 0.00052 0.00040 -0.00031 -0.00036 0.00070 113 3PX -0.00295 0.00092 -0.00023 -0.00004 0.00033 114 3PY -0.00061 0.00171 -0.00022 -0.00001 0.00011 115 3PZ 0.00459 -0.00644 -0.00043 0.00024 -0.00014 116 4XX 0.00041 -0.00132 0.00004 0.00000 -0.00014 117 4YY 0.00036 -0.00059 -0.00002 0.00003 -0.00003 118 4ZZ -0.00068 0.00184 -0.00001 -0.00002 0.00014 119 4XY 0.00095 -0.00079 0.00006 0.00003 -0.00009 120 4XZ -0.00017 0.00014 -0.00002 0.00000 0.00001 121 4YZ -0.00100 0.00153 -0.00005 -0.00004 0.00005 122 16 C 1S 0.00152 -0.00310 -0.00041 0.00002 -0.00071 123 2S 0.00069 0.00600 0.00046 -0.00044 0.00039 124 2PX -0.00822 -0.00175 0.00106 0.00241 -0.00460 125 2PY 0.00237 0.00097 -0.00006 0.00090 -0.00118 126 2PZ 0.00976 0.00682 -0.00134 -0.00246 0.00367 127 3S -0.00022 -0.00599 0.00009 -0.00193 0.00176 128 3PX -0.00630 -0.01038 0.00074 0.00187 -0.00343 129 3PY -0.00020 -0.00827 -0.00012 0.00015 -0.00076 130 3PZ 0.00481 -0.00123 -0.00114 -0.00175 0.00268 131 4XX -0.00103 0.00221 -0.00015 -0.00006 0.00024 132 4YY 0.00030 -0.00003 0.00004 0.00009 -0.00008 133 4ZZ 0.00096 -0.00250 0.00005 0.00005 -0.00017 134 4XY 0.00040 -0.00078 -0.00009 0.00006 0.00003 135 4XZ 0.00011 0.00054 0.00012 0.00001 -0.00016 136 4YZ -0.00086 0.00121 0.00013 -0.00004 0.00000 137 17 C 1S -0.00085 -0.00127 -0.00017 0.00005 0.00010 138 2S 0.00100 0.00195 0.00043 -0.00014 -0.00004 139 2PX 0.00751 -0.01814 -0.00142 0.00112 -0.00045 140 2PY -0.00146 -0.00012 -0.00011 -0.00098 0.00111 141 2PZ -0.01048 0.01475 0.00137 -0.00090 0.00048 142 3S -0.00214 0.02034 0.00139 0.00026 -0.00033 143 3PX 0.00969 -0.00941 -0.00147 0.00079 0.00014 144 3PY -0.00077 -0.00151 0.00037 -0.00090 0.00036 145 3PZ -0.00395 0.01530 0.00129 -0.00035 -0.00008 146 4XX -0.00025 -0.00021 0.00000 0.00006 0.00003 147 4YY 0.00050 0.00046 0.00000 -0.00001 -0.00001 148 4ZZ 0.00008 -0.00077 -0.00004 -0.00001 -0.00004 149 4XY 0.00040 0.00015 -0.00007 -0.00012 0.00024 150 4XZ 0.00020 -0.00018 -0.00003 -0.00006 0.00009 151 4YZ -0.00075 -0.00030 0.00007 0.00013 -0.00020 152 18 H 1S 0.00113 -0.00515 0.00001 0.00012 -0.00060 153 2S 0.00426 -0.01009 0.00014 0.00038 -0.00132 154 19 H 1S -0.00366 -0.00271 0.00098 0.00039 -0.00090 155 2S -0.00287 -0.00757 0.00068 0.00064 -0.00135 156 20 H 1S 0.00473 -0.00305 -0.00050 -0.00037 0.00053 157 2S 0.00674 -0.00338 -0.00091 -0.00020 0.00066 158 21 H 1S 0.00034 0.00659 0.00011 -0.00020 0.00062 159 2S -0.00286 0.01557 0.00053 -0.00023 0.00073 160 22 O 1S -0.00031 0.00120 0.00004 -0.00004 -0.00007 161 2S 0.00170 -0.00313 -0.00018 0.00000 0.00014 162 2PX 0.00795 0.00207 0.00035 0.00056 0.00002 163 2PY 0.00147 0.00662 0.00002 0.00024 -0.00066 164 2PZ -0.00789 0.00188 -0.00015 -0.00030 -0.00126 165 3S -0.00055 -0.01042 -0.00035 0.00020 -0.00016 166 3PX 0.00613 0.00363 0.00055 0.00032 0.00000 167 3PY 0.00121 0.00584 0.00000 0.00020 -0.00047 168 3PZ -0.00420 -0.00022 -0.00026 -0.00007 -0.00093 169 4XX -0.00017 0.00061 0.00007 -0.00005 -0.00002 170 4YY 0.00011 0.00010 0.00001 -0.00003 0.00003 171 4ZZ 0.00045 0.00006 -0.00005 0.00001 0.00004 172 4XY -0.00028 -0.00015 -0.00001 -0.00001 -0.00001 173 4XZ 0.00025 -0.00019 -0.00001 -0.00001 0.00001 174 4YZ 0.00016 -0.00026 0.00000 0.00005 0.00000 175 23 O 1S -0.00265 0.00095 0.00014 -0.00007 0.00013 176 2S 0.00504 -0.00118 -0.00029 0.00012 -0.00040 177 2PX -0.01906 0.02776 -0.00093 -0.00022 0.00224 178 2PY -0.00893 0.01363 0.00024 -0.00054 -0.00010 179 2PZ 0.03008 -0.04822 0.00025 0.00078 -0.00182 180 3S 0.00734 0.00314 -0.00059 0.00044 -0.00016 181 3PX -0.01350 0.01961 -0.00078 -0.00045 0.00192 182 3PY -0.00611 0.01099 0.00013 -0.00037 0.00007 183 3PZ 0.02006 -0.03602 0.00032 0.00083 -0.00189 184 4XX 0.00079 -0.00089 -0.00003 -0.00008 0.00010 185 4YY -0.00051 0.00054 -0.00002 -0.00001 0.00000 186 4ZZ -0.00047 -0.00017 0.00005 0.00006 -0.00010 187 4XY -0.00084 0.00070 -0.00005 -0.00001 0.00010 188 4XZ -0.00010 0.00054 -0.00002 0.00002 0.00001 189 4YZ 0.00138 -0.00194 0.00000 -0.00001 -0.00001 81 82 83 84 85 81 4XY 0.00096 82 4XZ -0.00054 0.00130 83 4YZ 0.00004 0.00042 0.00091 84 10 H 1S 0.00696 -0.01312 -0.00750 0.21529 85 2S 0.00698 -0.01252 -0.00650 0.17308 0.15894 86 11 H 1S -0.01023 0.00742 -0.00360 -0.02500 -0.05205 87 2S -0.00917 0.00856 -0.00244 -0.05357 -0.06142 88 12 C 1S 0.00001 -0.00011 -0.00032 0.00840 0.01010 89 2S -0.00002 0.00018 0.00030 -0.02008 -0.02084 90 2PX 0.01155 -0.00064 -0.00043 0.01885 0.03502 91 2PY 0.00033 0.00060 0.00007 0.02734 0.05262 92 2PZ -0.00029 0.00059 0.01048 -0.01613 -0.02228 93 3S 0.00016 0.00163 0.00039 -0.03335 -0.03229 94 3PX 0.00535 -0.00063 -0.00012 0.00937 0.01824 95 3PY -0.00021 0.00052 0.00009 0.01272 0.02122 96 3PZ 0.00024 0.00015 0.00526 -0.01224 -0.01141 97 4XX 0.00031 -0.00004 0.00030 0.00039 0.00188 98 4YY -0.00002 -0.00013 -0.00010 0.00276 -0.00032 99 4ZZ -0.00028 0.00008 -0.00016 -0.00025 0.00040 100 4XY 0.00089 -0.00042 -0.00003 0.00568 0.00580 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 -0.00568 0.00207 0.00549 -0.03157 -0.03522 104 2S -0.00580 0.00284 0.00499 -0.03522 -0.03753 105 14 H 1S 0.00761 -0.00092 0.00178 0.01701 0.03048 106 2S 0.00741 -0.00198 0.00144 0.03245 0.04130 107 15 C 1S -0.00013 0.00031 0.00004 -0.00112 -0.00173 108 2S 0.00022 -0.00060 -0.00002 0.00309 0.00488 109 2PX -0.00040 0.00058 0.00003 -0.00252 -0.00483 110 2PY -0.00023 0.00013 -0.00015 0.00028 0.00067 111 2PZ 0.00061 -0.00055 0.00015 0.00308 0.00345 112 3S 0.00022 -0.00098 -0.00006 0.00385 0.00721 113 3PX -0.00002 -0.00021 -0.00001 0.00343 0.00266 114 3PY 0.00030 -0.00028 -0.00003 0.00247 0.00303 115 3PZ 0.00032 -0.00007 0.00027 0.00142 -0.00121 116 4XX -0.00004 0.00008 0.00003 -0.00055 -0.00102 117 4YY -0.00002 0.00005 0.00002 -0.00024 -0.00017 118 4ZZ 0.00004 -0.00010 -0.00005 0.00047 0.00083 119 4XY 0.00003 0.00001 -0.00001 -0.00017 0.00030 120 4XZ 0.00000 -0.00002 0.00000 0.00018 0.00000 121 4YZ -0.00003 -0.00002 0.00002 0.00005 -0.00052 122 16 C 1S -0.00011 0.00080 0.00005 -0.00263 -0.00281 123 2S 0.00043 -0.00161 -0.00026 0.00805 0.01140 124 2PX -0.00026 0.00572 0.00064 -0.02531 -0.05156 125 2PY 0.00006 0.00109 0.00024 -0.00457 -0.00982 126 2PZ 0.00017 -0.00603 -0.00063 0.02413 0.05074 127 3S 0.00003 -0.00100 0.00124 -0.00338 0.00315 128 3PX -0.00086 0.00534 0.00131 -0.03165 -0.05086 129 3PY -0.00052 0.00189 0.00081 -0.01293 -0.02065 130 3PZ 0.00002 -0.00366 0.00021 0.01169 0.02778 131 4XX -0.00009 -0.00014 -0.00006 0.00042 0.00044 132 4YY 0.00002 0.00004 0.00002 -0.00006 -0.00015 133 4ZZ 0.00000 0.00017 0.00005 -0.00121 -0.00139 134 4XY 0.00001 0.00001 0.00004 -0.00009 -0.00071 135 4XZ 0.00005 -0.00002 -0.00003 0.00067 0.00051 136 4YZ 0.00000 0.00001 -0.00004 0.00002 0.00017 137 17 C 1S -0.00010 0.00018 0.00019 -0.00124 -0.00321 138 2S -0.00004 -0.00024 0.00007 0.00104 0.00341 139 2PX 0.00026 0.00165 0.00050 -0.00605 -0.02198 140 2PY -0.00047 -0.00062 -0.00021 0.00206 0.00740 141 2PZ -0.00017 -0.00135 -0.00023 0.00384 0.01342 142 3S 0.00040 -0.00187 -0.00163 0.01568 0.02780 143 3PX 0.00082 0.00007 -0.00037 0.00285 -0.00369 144 3PY -0.00055 0.00044 0.00061 -0.00665 -0.00430 145 3PZ 0.00005 -0.00093 -0.00080 0.00496 0.01380 146 4XX 0.00005 0.00004 -0.00002 -0.00012 0.00000 147 4YY 0.00002 -0.00006 0.00002 0.00033 0.00033 148 4ZZ -0.00004 0.00010 0.00001 -0.00055 -0.00110 149 4XY 0.00000 -0.00029 -0.00005 0.00128 0.00256 150 4XZ -0.00003 -0.00008 0.00005 0.00051 0.00036 151 4YZ -0.00001 0.00030 0.00005 -0.00126 -0.00282 152 18 H 1S -0.00026 0.00048 0.00011 -0.00241 -0.00501 153 2S -0.00035 0.00118 0.00027 -0.00705 -0.01207 154 19 H 1S 0.00011 0.00130 0.00010 -0.00511 -0.01065 155 2S -0.00020 0.00175 0.00041 -0.00978 -0.01718 156 20 H 1S -0.00014 -0.00044 -0.00009 0.00248 0.00447 157 2S 0.00005 -0.00083 -0.00029 0.00465 0.00591 158 21 H 1S 0.00045 -0.00073 -0.00012 0.00355 0.00647 159 2S 0.00022 -0.00062 -0.00042 0.00220 0.00728 160 22 O 1S 0.00020 -0.00011 -0.00014 0.00058 0.00121 161 2S -0.00047 0.00016 0.00015 -0.00069 -0.00104 162 2PX 0.00080 -0.00059 -0.00081 0.00313 0.01765 163 2PY -0.00022 0.00033 0.00016 -0.00275 -0.00414 164 2PZ -0.00112 0.00133 0.00077 -0.00692 -0.02057 165 3S -0.00093 0.00111 0.00109 -0.00618 -0.01247 166 3PX 0.00060 -0.00059 -0.00079 0.00336 0.01545 167 3PY -0.00006 0.00009 -0.00008 -0.00131 -0.00143 168 3PZ -0.00079 0.00109 0.00050 -0.00539 -0.01639 169 4XX -0.00004 -0.00003 -0.00003 0.00001 0.00042 170 4YY 0.00000 -0.00006 -0.00005 0.00039 0.00062 171 4ZZ 0.00004 -0.00004 -0.00005 0.00029 0.00048 172 4XY -0.00002 0.00002 0.00005 -0.00021 -0.00079 173 4XZ -0.00005 -0.00001 0.00001 -0.00001 -0.00008 174 4YZ 0.00005 0.00002 -0.00001 -0.00001 0.00007 175 23 O 1S -0.00014 0.00013 0.00001 -0.00177 -0.00270 176 2S 0.00034 -0.00031 0.00010 0.00218 0.00417 177 2PX -0.00076 0.00009 -0.00011 -0.00116 -0.00434 178 2PY -0.00014 -0.00041 -0.00023 0.00041 -0.00207 179 2PZ 0.00109 0.00040 0.00069 -0.00143 0.00443 180 3S 0.00080 -0.00116 -0.00073 0.01641 0.01705 181 3PX -0.00051 -0.00035 0.00011 -0.00080 -0.00079 182 3PY 0.00004 -0.00063 -0.00034 0.00446 0.00283 183 3PZ 0.00072 0.00109 0.00072 -0.00561 -0.00444 184 4XX 0.00001 -0.00016 0.00002 0.00021 0.00130 185 4YY 0.00003 0.00000 0.00004 -0.00032 -0.00042 186 4ZZ -0.00003 0.00024 0.00005 -0.00157 -0.00217 187 4XY -0.00004 0.00003 0.00002 -0.00023 -0.00037 188 4XZ 0.00007 -0.00005 -0.00001 0.00065 0.00047 189 4YZ 0.00006 -0.00007 0.00002 0.00028 0.00097 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.16994 0.16628 88 12 C 1S 0.00761 0.00792 2.05092 89 2S -0.02000 -0.01756 -0.05341 0.30682 90 2PX -0.02272 -0.04406 -0.00089 0.00094 0.41188 91 2PY 0.02938 0.05180 -0.00199 0.00121 0.00499 92 2PZ -0.00278 -0.00223 -0.00339 0.00249 -0.00312 93 3S -0.01941 -0.00380 -0.18586 0.27975 -0.00648 94 3PX -0.01473 -0.02327 -0.00226 0.00385 0.18595 95 3PY 0.01811 0.02463 0.00044 0.00253 -0.00076 96 3PZ -0.00845 -0.00582 -0.00163 0.00937 0.00744 97 4XX -0.00095 -0.00070 -0.01787 0.00019 0.01071 98 4YY 0.00174 -0.00149 -0.01551 -0.00514 0.00056 99 4ZZ 0.00161 0.00325 -0.01630 -0.00351 -0.01052 100 4XY -0.00761 -0.00741 -0.00055 0.00106 0.01581 101 4XZ -0.00092 -0.00198 0.00050 -0.00110 0.01496 102 4YZ -0.00178 -0.00144 -0.00140 0.00269 0.00004 103 13 H 1S 0.01701 0.03245 -0.05287 0.10195 -0.18027 104 2S 0.03048 0.04130 -0.00700 0.02105 -0.16495 105 14 H 1S -0.02780 -0.03451 -0.05307 0.10305 0.24405 106 2S -0.03451 -0.04555 -0.00471 0.02008 0.21324 107 15 C 1S 0.00189 0.00272 -0.00065 0.00136 0.00329 108 2S -0.00550 -0.00661 0.00156 -0.00372 -0.00906 109 2PX 0.00397 0.00748 -0.00189 0.00416 0.00785 110 2PY 0.00120 0.00478 -0.00001 -0.00040 -0.00185 111 2PZ -0.00842 -0.00090 0.00280 -0.00422 -0.01831 112 3S -0.00813 -0.01072 0.00356 -0.00478 -0.01117 113 3PX -0.00445 -0.00292 0.00052 -0.00167 -0.00735 114 3PY -0.00431 -0.00729 -0.00086 0.00110 0.00495 115 3PZ -0.00991 0.00070 0.00189 -0.00206 -0.01917 116 4XX 0.00060 0.00160 -0.00032 0.00025 0.00064 117 4YY 0.00010 0.00112 -0.00006 0.00027 0.00022 118 4ZZ -0.00049 -0.00256 0.00026 -0.00041 -0.00038 119 4XY 0.00027 0.00147 -0.00015 0.00060 0.00009 120 4XZ -0.00039 -0.00094 0.00001 -0.00004 -0.00050 121 4YZ -0.00016 -0.00313 0.00031 -0.00062 -0.00027 122 16 C 1S 0.00211 0.00286 -0.00135 0.00331 0.00010 123 2S -0.00547 -0.00626 0.00251 -0.00446 -0.00034 124 2PX 0.01758 0.01629 -0.00749 0.01643 -0.00553 125 2PY 0.00282 0.00553 -0.00026 0.00226 -0.00294 126 2PZ -0.01902 -0.03806 0.00676 -0.01383 0.00340 127 3S -0.00477 -0.01426 0.00525 -0.02179 -0.00052 128 3PX 0.02014 0.02387 -0.00501 0.00780 -0.01195 129 3PY 0.00649 0.00532 -0.00098 -0.00160 -0.00919 130 3PZ -0.01303 -0.02556 0.00473 -0.01516 0.00205 131 4XX -0.00031 -0.00458 0.00003 0.00002 -0.00010 132 4YY 0.00002 0.00153 -0.00008 0.00002 -0.00039 133 4ZZ 0.00078 0.00305 -0.00049 0.00104 0.00049 134 4XY -0.00019 -0.00009 -0.00020 0.00069 0.00069 135 4XZ -0.00020 0.00037 0.00000 -0.00019 -0.00064 136 4YZ 0.00044 -0.00013 0.00011 -0.00086 -0.00045 137 17 C 1S 0.00009 -0.00157 -0.00160 0.00237 0.00275 138 2S 0.00017 0.00337 0.00232 -0.00724 -0.00839 139 2PX -0.00264 0.00526 -0.00601 0.01600 0.01449 140 2PY 0.00031 -0.00814 0.00138 -0.00410 -0.00285 141 2PZ 0.00232 -0.00186 0.00521 -0.01806 -0.01389 142 3S 0.00046 0.00730 0.00606 -0.00124 -0.00166 143 3PX -0.00973 -0.00637 -0.00470 0.01725 0.02394 144 3PY 0.00532 -0.00234 0.00098 -0.01047 -0.00749 145 3PZ 0.00139 0.00015 0.00664 -0.00697 -0.00779 146 4XX 0.00007 0.00073 -0.00063 0.00056 0.00092 147 4YY -0.00031 -0.00071 0.00003 -0.00028 -0.00017 148 4ZZ 0.00031 0.00002 -0.00062 0.00051 0.00050 149 4XY -0.00088 -0.00118 0.00037 -0.00055 0.00007 150 4XZ -0.00045 -0.00037 0.00066 -0.00101 -0.00114 151 4YZ 0.00090 0.00185 -0.00023 0.00046 -0.00049 152 18 H 1S 0.00266 0.00727 -0.00148 0.00242 0.00372 153 2S 0.00702 0.01619 -0.00291 0.00563 0.00933 154 19 H 1S 0.00507 0.01533 -0.00132 0.00099 -0.00111 155 2S 0.00721 0.01713 -0.00232 0.00125 -0.00626 156 20 H 1S -0.00257 -0.00622 0.00045 0.00109 0.00160 157 2S -0.00698 -0.01089 0.00048 0.00573 0.00505 158 21 H 1S -0.00401 -0.00757 0.00270 -0.00472 -0.00803 159 2S 0.00596 -0.00843 -0.00011 -0.00129 0.01068 160 22 O 1S -0.00029 -0.00186 -0.00055 0.00099 0.00447 161 2S 0.00059 0.00405 0.00228 -0.00252 -0.00961 162 2PX -0.00035 0.00766 -0.00379 0.01216 0.01821 163 2PY 0.00238 -0.00835 0.00114 0.00119 -0.00505 164 2PZ 0.00406 -0.00691 0.00311 -0.00877 -0.02212 165 3S 0.00244 0.01126 -0.00116 -0.00488 -0.02701 166 3PX 0.00061 0.00768 -0.00096 0.00699 0.01209 167 3PY 0.00185 -0.00726 0.00085 0.00248 0.00199 168 3PZ 0.00295 -0.00401 0.00116 -0.00346 -0.01266 169 4XX 0.00050 0.00018 0.00046 -0.00072 -0.00019 170 4YY -0.00015 0.00006 0.00040 -0.00042 -0.00023 171 4ZZ -0.00026 -0.00050 0.00021 0.00056 0.00143 172 4XY -0.00004 -0.00018 0.00008 -0.00060 -0.00078 173 4XZ -0.00001 0.00030 0.00030 -0.00048 -0.00179 174 4YZ 0.00004 0.00058 -0.00031 0.00067 0.00146 175 23 O 1S 0.00247 -0.00390 0.00035 -0.00090 -0.00001 176 2S -0.00571 0.00520 -0.00036 0.00121 0.00059 177 2PX 0.00293 -0.03405 0.00403 -0.00893 0.00209 178 2PY 0.00146 -0.03723 0.00108 -0.00204 -0.00350 179 2PZ -0.00480 0.06462 -0.00486 0.01104 0.00418 180 3S -0.01333 0.00937 -0.00302 0.00783 -0.00134 181 3PX -0.00015 -0.02980 0.00391 -0.00955 0.00212 182 3PY -0.00175 -0.02632 0.00036 -0.00118 -0.00402 183 3PZ -0.00079 0.04875 -0.00478 0.00936 0.00349 184 4XX -0.00054 0.00006 0.00039 -0.00038 0.00086 185 4YY -0.00055 -0.00276 0.00020 -0.00039 -0.00015 186 4ZZ 0.00098 0.00098 0.00013 0.00006 -0.00014 187 4XY 0.00014 -0.00087 0.00012 -0.00032 0.00016 188 4XZ -0.00117 -0.00114 -0.00004 0.00003 -0.00017 189 4YZ -0.00064 0.00220 -0.00012 0.00006 -0.00007 91 92 93 94 95 91 2PY 0.38124 92 2PZ 0.00574 0.38896 93 3S -0.00793 -0.02478 0.30208 94 3PX 0.00356 0.00071 -0.00138 0.08584 95 3PY 0.17352 0.00966 -0.00728 0.00186 0.08588 96 3PZ 0.00608 0.17988 -0.00699 0.00654 0.00766 97 4XX 0.01029 0.01116 -0.00035 0.00491 0.00456 98 4YY -0.01508 -0.00103 -0.00513 0.00020 -0.00601 99 4ZZ 0.00819 -0.00580 -0.00015 -0.00477 0.00318 100 4XY 0.00029 -0.00039 0.00117 0.00724 -0.00004 101 4XZ 0.00054 -0.01186 -0.00235 0.00665 -0.00025 102 4YZ 0.00069 0.01284 0.00251 0.00017 0.00092 103 13 H 1S 0.08045 0.17916 0.09108 -0.07908 0.04179 104 2S 0.06622 0.15932 0.01902 -0.07322 0.03399 105 14 H 1S 0.09284 0.06755 0.08094 0.11186 0.04140 106 2S 0.07582 0.05579 -0.00680 0.09432 0.02999 107 15 C 1S 0.00005 0.00042 0.00215 0.00092 0.00061 108 2S 0.00032 -0.00082 -0.00212 -0.00274 -0.00100 109 2PX -0.00096 0.00237 0.00321 0.00252 0.00027 110 2PY 0.00005 -0.00246 0.00569 -0.00021 -0.00102 111 2PZ -0.00432 -0.00495 -0.01750 -0.00966 -0.00547 112 3S -0.00019 -0.00239 -0.00294 -0.00370 -0.00052 113 3PX 0.00475 0.00092 -0.00222 -0.00300 0.00295 114 3PY 0.00071 -0.00067 0.00042 -0.00015 -0.00061 115 3PZ -0.00415 -0.00710 -0.00571 -0.01055 -0.00459 116 4XX -0.00036 0.00001 0.00117 -0.00002 -0.00041 117 4YY -0.00026 -0.00012 -0.00037 -0.00006 -0.00036 118 4ZZ 0.00035 -0.00005 -0.00068 0.00030 0.00068 119 4XY 0.00014 -0.00029 0.00087 0.00002 0.00095 120 4XZ -0.00006 0.00002 0.00078 -0.00006 0.00017 121 4YZ -0.00019 0.00046 -0.00189 -0.00109 -0.00100 122 16 C 1S -0.00131 -0.00447 0.00485 -0.00199 0.00085 123 2S 0.00181 0.00621 -0.00904 0.00102 -0.00100 124 2PX -0.00836 -0.02317 0.04192 -0.01622 -0.00751 125 2PY -0.00296 0.00041 -0.00883 -0.00246 -0.00146 126 2PZ 0.00671 0.01780 -0.03613 0.00600 0.01048 127 3S 0.00380 0.04389 -0.04200 0.00318 0.00214 128 3PX -0.01243 -0.01016 0.02840 -0.01262 -0.00969 129 3PY -0.00419 0.00923 -0.00534 -0.00702 -0.00077 130 3PZ 0.00047 0.02307 -0.03138 0.00618 0.00395 131 4XX 0.00020 -0.00037 -0.00109 -0.00047 0.00025 132 4YY -0.00053 0.00052 0.00032 0.00016 -0.00050 133 4ZZ -0.00051 -0.00123 0.00204 0.00013 -0.00008 134 4XY 0.00008 -0.00080 0.00000 0.00060 0.00040 135 4XZ -0.00001 0.00047 0.00124 -0.00079 -0.00020 136 4YZ -0.00028 0.00108 0.00020 0.00027 -0.00075 137 17 C 1S -0.00037 -0.00219 0.00255 0.00447 -0.00152 138 2S -0.00112 0.01167 -0.00748 -0.00430 -0.00069 139 2PX -0.00147 -0.01970 0.01135 0.01166 0.00822 140 2PY 0.00184 0.00129 0.00174 -0.00523 0.00237 141 2PZ -0.00169 0.01865 -0.00089 0.00415 -0.00976 142 3S 0.00813 -0.01871 0.00820 -0.00074 0.00022 143 3PX -0.00042 -0.03174 0.00614 0.01151 0.00630 144 3PY -0.00131 0.02065 -0.01294 -0.00524 -0.00020 145 3PZ 0.00013 0.00120 0.00619 -0.00038 -0.00481 146 4XX -0.00003 -0.00036 0.00265 0.00163 0.00103 147 4YY -0.00039 0.00086 -0.00173 -0.00055 -0.00030 148 4ZZ -0.00048 -0.00154 0.00032 -0.00056 -0.00096 149 4XY 0.00037 0.00068 -0.00252 0.00074 0.00040 150 4XZ -0.00007 0.00209 -0.00127 -0.00019 -0.00011 151 4YZ -0.00025 -0.00104 0.00140 -0.00029 -0.00086 152 18 H 1S -0.00104 0.00045 0.00558 0.00050 -0.00113 153 2S -0.00522 -0.00187 0.00912 0.00122 -0.00426 154 19 H 1S -0.00171 -0.00124 0.01424 0.00070 -0.00473 155 2S -0.00757 -0.00091 0.01825 -0.00230 -0.00674 156 20 H 1S 0.00109 -0.00103 -0.00629 -0.00654 0.00366 157 2S -0.00098 -0.00802 -0.00090 -0.00371 0.00288 158 21 H 1S 0.00102 -0.00060 -0.01209 -0.00231 -0.00034 159 2S 0.00204 0.00671 -0.00942 0.00804 0.00286 160 22 O 1S 0.00124 -0.00164 0.00837 0.00231 0.00265 161 2S -0.00339 0.00099 -0.01855 -0.00415 -0.00504 162 2PX 0.00614 -0.00592 0.01250 0.01345 0.01906 163 2PY -0.00451 -0.00075 -0.03108 -0.01808 -0.00893 164 2PZ -0.00844 -0.00282 -0.02062 -0.03042 -0.03008 165 3S -0.00435 0.01800 -0.02749 -0.01420 -0.00734 166 3PX 0.00447 -0.00652 0.00875 0.01046 0.01350 167 3PY -0.00334 -0.00534 -0.01879 -0.00958 -0.00610 168 3PZ -0.00584 -0.00686 -0.01344 -0.01983 -0.02006 169 4XX -0.00039 0.00000 -0.00045 -0.00034 -0.00079 170 4YY 0.00003 -0.00064 0.00149 0.00081 0.00051 171 4ZZ 0.00010 -0.00159 -0.00030 0.00048 0.00047 172 4XY -0.00045 0.00066 -0.00034 -0.00029 -0.00084 173 4XZ -0.00033 0.00045 -0.00070 -0.00073 0.00010 174 4YZ 0.00046 0.00005 0.00141 0.00148 0.00138 175 23 O 1S 0.00021 0.00074 -0.00140 0.00066 0.00031 176 2S -0.00149 -0.00001 0.00520 -0.00116 -0.00170 177 2PX -0.00085 0.00993 -0.02578 0.00458 -0.00795 178 2PY 0.00314 0.00004 -0.00373 -0.01137 0.00147 179 2PZ -0.00133 -0.00777 0.01641 0.00983 0.00789 180 3S 0.00365 -0.01230 0.00765 -0.00274 0.00055 181 3PX -0.00073 0.01197 -0.02366 0.00319 -0.00613 182 3PY 0.00359 -0.00176 -0.00328 -0.00885 0.00121 183 3PZ -0.00254 -0.00680 0.01701 0.00548 0.00420 184 4XX -0.00007 0.00102 -0.00092 0.00070 0.00017 185 4YY -0.00010 0.00069 -0.00005 -0.00042 -0.00011 186 4ZZ -0.00042 -0.00005 0.00064 -0.00017 -0.00045 187 4XY 0.00007 0.00049 -0.00066 0.00030 -0.00028 188 4XZ -0.00007 -0.00004 0.00026 -0.00021 -0.00025 189 4YZ -0.00019 0.00002 0.00011 0.00039 0.00016 96 97 98 99 100 96 3PZ 0.09074 97 4XX 0.00529 0.00113 98 4YY -0.00086 -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 -0.00508 0.00023 0.00007 -0.00033 0.00054 102 4YZ 0.00612 0.00042 -0.00025 -0.00018 0.00004 103 13 H 1S 0.08295 0.00243 -0.00576 0.00363 -0.00696 104 2S 0.07121 0.00131 -0.00434 0.00445 -0.00698 105 14 H 1S 0.03915 0.01149 -0.00486 -0.00663 0.01023 106 2S 0.02566 0.01043 -0.00282 -0.00647 0.00917 107 15 C 1S -0.00086 -0.00002 0.00007 -0.00007 0.00013 108 2S 0.00004 -0.00013 -0.00026 0.00031 -0.00022 109 2PX -0.00164 -0.00008 0.00029 -0.00045 0.00040 110 2PY -0.00025 -0.00010 0.00006 0.00004 -0.00023 111 2PZ 0.00070 -0.00011 0.00016 0.00025 -0.00061 112 3S 0.00040 -0.00031 -0.00036 0.00070 -0.00022 113 3PX 0.00092 -0.00023 -0.00004 0.00033 0.00002 114 3PY -0.00171 0.00022 0.00001 -0.00011 0.00030 115 3PZ -0.00645 -0.00043 0.00024 -0.00014 -0.00032 116 4XX -0.00132 0.00004 0.00000 -0.00014 0.00004 117 4YY -0.00059 -0.00002 0.00003 -0.00003 0.00002 118 4ZZ 0.00184 -0.00001 -0.00002 0.00014 -0.00004 119 4XY 0.00079 -0.00006 -0.00003 0.00009 0.00003 120 4XZ 0.00014 -0.00002 0.00000 0.00001 0.00000 121 4YZ -0.00153 0.00005 0.00004 -0.00005 -0.00003 122 16 C 1S -0.00127 -0.00017 0.00005 0.00010 0.00010 123 2S 0.00195 0.00043 -0.00014 -0.00004 0.00004 124 2PX -0.01814 -0.00142 0.00112 -0.00045 -0.00026 125 2PY 0.00012 0.00011 0.00098 -0.00111 -0.00047 126 2PZ 0.01475 0.00137 -0.00090 0.00048 0.00017 127 3S 0.02034 0.00139 0.00026 -0.00033 -0.00040 128 3PX -0.00942 -0.00147 0.00079 0.00014 -0.00082 129 3PY 0.00151 -0.00037 0.00090 -0.00036 -0.00055 130 3PZ 0.01530 0.00129 -0.00035 -0.00008 -0.00005 131 4XX -0.00021 0.00000 0.00006 0.00003 -0.00005 132 4YY 0.00046 0.00000 -0.00001 -0.00001 -0.00002 133 4ZZ -0.00077 -0.00004 -0.00001 -0.00004 0.00004 134 4XY -0.00015 0.00007 0.00012 -0.00024 0.00000 135 4XZ -0.00019 -0.00003 -0.00006 0.00009 0.00003 136 4YZ 0.00030 -0.00007 -0.00013 0.00020 -0.00001 137 17 C 1S -0.00310 -0.00041 0.00002 -0.00071 0.00011 138 2S 0.00600 0.00046 -0.00044 0.00039 -0.00043 139 2PX -0.00175 0.00106 0.00241 -0.00460 0.00026 140 2PY -0.00097 0.00006 -0.00090 0.00118 0.00006 141 2PZ 0.00682 -0.00134 -0.00246 0.00367 -0.00017 142 3S -0.00599 0.00009 -0.00193 0.00176 -0.00003 143 3PX -0.01038 0.00074 0.00187 -0.00343 0.00086 144 3PY 0.00827 0.00012 -0.00015 0.00076 -0.00052 145 3PZ -0.00123 -0.00114 -0.00175 0.00268 -0.00002 146 4XX 0.00221 -0.00015 -0.00006 0.00024 0.00009 147 4YY -0.00003 0.00004 0.00009 -0.00008 -0.00002 148 4ZZ -0.00250 0.00005 0.00005 -0.00017 0.00000 149 4XY 0.00078 0.00009 -0.00006 -0.00003 0.00001 150 4XZ 0.00054 0.00012 0.00001 -0.00016 -0.00005 151 4YZ -0.00121 -0.00013 0.00004 0.00000 0.00000 152 18 H 1S -0.00515 0.00001 0.00012 -0.00060 0.00026 153 2S -0.01009 0.00014 0.00038 -0.00132 0.00035 154 19 H 1S -0.00305 -0.00050 -0.00037 0.00053 0.00014 155 2S -0.00338 -0.00091 -0.00020 0.00066 -0.00005 156 20 H 1S -0.00271 0.00098 0.00039 -0.00090 -0.00011 157 2S -0.00757 0.00068 0.00064 -0.00135 0.00020 158 21 H 1S 0.00659 0.00011 -0.00020 0.00062 -0.00045 159 2S 0.01557 0.00053 -0.00023 0.00073 -0.00022 160 22 O 1S 0.00095 0.00014 -0.00007 0.00013 0.00014 161 2S -0.00118 -0.00029 0.00012 -0.00040 -0.00034 162 2PX 0.02776 -0.00093 -0.00022 0.00224 0.00076 163 2PY -0.01363 -0.00024 0.00054 0.00010 -0.00014 164 2PZ -0.04823 0.00025 0.00078 -0.00182 -0.00109 165 3S 0.00314 -0.00059 0.00044 -0.00016 -0.00080 166 3PX 0.01961 -0.00078 -0.00045 0.00192 0.00051 167 3PY -0.01099 -0.00013 0.00037 -0.00007 0.00004 168 3PZ -0.03602 0.00032 0.00083 -0.00189 -0.00072 169 4XX -0.00089 -0.00003 -0.00008 0.00010 -0.00001 170 4YY 0.00054 -0.00002 -0.00001 0.00000 -0.00003 171 4ZZ -0.00017 0.00005 0.00006 -0.00010 0.00003 172 4XY -0.00070 0.00005 0.00001 -0.00010 -0.00004 173 4XZ 0.00054 -0.00002 0.00002 0.00001 -0.00007 174 4YZ 0.00194 0.00000 0.00001 0.00001 0.00006 175 23 O 1S 0.00119 0.00004 -0.00004 -0.00007 -0.00020 176 2S -0.00313 -0.00018 0.00000 0.00014 0.00047 177 2PX 0.00207 0.00035 0.00056 0.00002 -0.00080 178 2PY -0.00662 -0.00002 -0.00024 0.00066 -0.00022 179 2PZ 0.00188 -0.00015 -0.00030 -0.00126 0.00112 180 3S -0.01042 -0.00035 0.00020 -0.00016 0.00093 181 3PX 0.00363 0.00055 0.00032 0.00000 -0.00060 182 3PY -0.00584 0.00000 -0.00020 0.00047 -0.00006 183 3PZ -0.00022 -0.00026 -0.00007 -0.00093 0.00079 184 4XX 0.00061 0.00007 -0.00005 -0.00002 0.00004 185 4YY 0.00010 0.00001 -0.00003 0.00003 0.00000 186 4ZZ 0.00006 -0.00005 0.00001 0.00004 -0.00004 187 4XY 0.00015 0.00001 0.00001 0.00001 -0.00002 188 4XZ -0.00019 -0.00001 -0.00001 0.00001 0.00005 189 4YZ 0.00026 0.00000 -0.00005 0.00000 0.00005 101 102 103 104 105 101 4XZ 0.00130 102 4YZ -0.00042 0.00091 103 13 H 1S -0.01312 0.00750 0.21529 104 2S -0.01252 0.00650 0.17308 0.15894 105 14 H 1S 0.00742 0.00360 -0.02500 -0.05205 0.21593 106 2S 0.00856 0.00244 -0.05357 -0.06142 0.16994 107 15 C 1S 0.00031 -0.00004 -0.00112 -0.00173 0.00189 108 2S -0.00060 0.00002 0.00309 0.00488 -0.00550 109 2PX 0.00058 -0.00003 -0.00252 -0.00483 0.00397 110 2PY -0.00013 -0.00015 -0.00028 -0.00067 -0.00120 111 2PZ -0.00055 -0.00015 0.00308 0.00345 -0.00842 112 3S -0.00098 0.00006 0.00385 0.00721 -0.00813 113 3PX -0.00021 0.00001 0.00343 0.00266 -0.00445 114 3PY 0.00028 -0.00003 -0.00247 -0.00303 0.00431 115 3PZ -0.00007 -0.00027 0.00142 -0.00121 -0.00991 116 4XX 0.00008 -0.00003 -0.00055 -0.00102 0.00060 117 4YY 0.00005 -0.00002 -0.00024 -0.00017 0.00010 118 4ZZ -0.00010 0.00005 0.00047 0.00083 -0.00049 119 4XY -0.00001 -0.00001 0.00017 -0.00030 -0.00027 120 4XZ -0.00002 0.00000 0.00018 0.00000 -0.00039 121 4YZ 0.00002 0.00002 -0.00005 0.00052 0.00016 122 16 C 1S 0.00018 -0.00019 -0.00124 -0.00321 0.00009 123 2S -0.00024 -0.00007 0.00104 0.00341 0.00017 124 2PX 0.00165 -0.00050 -0.00605 -0.02198 -0.00264 125 2PY 0.00062 -0.00021 -0.00206 -0.00740 -0.00031 126 2PZ -0.00135 0.00023 0.00384 0.01342 0.00232 127 3S -0.00187 0.00163 0.01568 0.02780 0.00046 128 3PX 0.00007 0.00037 0.00285 -0.00369 -0.00973 129 3PY -0.00044 0.00061 0.00665 0.00430 -0.00532 130 3PZ -0.00093 0.00080 0.00496 0.01380 0.00139 131 4XX 0.00004 0.00002 -0.00012 0.00000 0.00007 132 4YY -0.00006 -0.00002 0.00033 0.00033 -0.00031 133 4ZZ 0.00010 -0.00001 -0.00055 -0.00110 0.00031 134 4XY 0.00029 -0.00005 -0.00128 -0.00256 0.00088 135 4XZ -0.00008 -0.00005 0.00051 0.00036 -0.00045 136 4YZ -0.00030 0.00005 0.00126 0.00282 -0.00090 137 17 C 1S 0.00080 -0.00005 -0.00263 -0.00281 0.00211 138 2S -0.00161 0.00026 0.00805 0.01140 -0.00547 139 2PX 0.00572 -0.00064 -0.02531 -0.05156 0.01758 140 2PY -0.00109 0.00024 0.00457 0.00982 -0.00282 141 2PZ -0.00603 0.00063 0.02413 0.05074 -0.01902 142 3S -0.00100 -0.00124 -0.00338 0.00315 -0.00477 143 3PX 0.00534 -0.00131 -0.03165 -0.05086 0.02014 144 3PY -0.00189 0.00081 0.01293 0.02065 -0.00649 145 3PZ -0.00366 -0.00021 0.01169 0.02778 -0.01303 146 4XX -0.00014 0.00006 0.00042 0.00044 -0.00031 147 4YY 0.00004 -0.00002 -0.00006 -0.00015 0.00002 148 4ZZ 0.00017 -0.00005 -0.00121 -0.00139 0.00078 149 4XY -0.00001 0.00004 0.00009 0.00071 0.00019 150 4XZ -0.00002 0.00003 0.00067 0.00051 -0.00020 151 4YZ -0.00001 -0.00004 -0.00002 -0.00017 -0.00044 152 18 H 1S 0.00048 -0.00011 -0.00241 -0.00501 0.00266 153 2S 0.00118 -0.00027 -0.00705 -0.01207 0.00702 154 19 H 1S -0.00044 0.00009 0.00248 0.00447 -0.00257 155 2S -0.00083 0.00029 0.00465 0.00591 -0.00698 156 20 H 1S 0.00130 -0.00010 -0.00511 -0.01065 0.00507 157 2S 0.00175 -0.00041 -0.00978 -0.01718 0.00721 158 21 H 1S -0.00073 0.00012 0.00355 0.00647 -0.00401 159 2S -0.00062 0.00042 0.00219 0.00728 0.00596 160 22 O 1S 0.00013 -0.00001 -0.00177 -0.00269 0.00247 161 2S -0.00031 -0.00010 0.00218 0.00416 -0.00571 162 2PX 0.00009 0.00011 -0.00116 -0.00434 0.00293 163 2PY 0.00041 -0.00023 -0.00041 0.00207 -0.00146 164 2PZ 0.00040 -0.00069 -0.00143 0.00443 -0.00480 165 3S -0.00116 0.00073 0.01641 0.01705 -0.01333 166 3PX -0.00035 -0.00011 -0.00081 -0.00079 -0.00015 167 3PY 0.00063 -0.00034 -0.00446 -0.00283 0.00175 168 3PZ 0.00109 -0.00072 -0.00561 -0.00444 -0.00079 169 4XX -0.00016 -0.00002 0.00021 0.00130 -0.00054 170 4YY 0.00000 -0.00004 -0.00032 -0.00042 -0.00055 171 4ZZ 0.00024 -0.00005 -0.00157 -0.00217 0.00098 172 4XY -0.00003 0.00002 0.00023 0.00037 -0.00014 173 4XZ -0.00005 0.00001 0.00065 0.00047 -0.00117 174 4YZ 0.00007 0.00002 -0.00028 -0.00097 0.00064 175 23 O 1S -0.00011 0.00014 0.00058 0.00121 -0.00029 176 2S 0.00016 -0.00015 -0.00069 -0.00104 0.00059 177 2PX -0.00059 0.00081 0.00313 0.01765 -0.00035 178 2PY -0.00033 0.00016 0.00275 0.00414 -0.00238 179 2PZ 0.00133 -0.00077 -0.00692 -0.02057 0.00406 180 3S 0.00111 -0.00109 -0.00618 -0.01247 0.00244 181 3PX -0.00059 0.00079 0.00336 0.01545 0.00061 182 3PY -0.00009 -0.00008 0.00131 0.00143 -0.00185 183 3PZ 0.00109 -0.00050 -0.00539 -0.01639 0.00295 184 4XX -0.00003 0.00003 0.00001 0.00042 0.00050 185 4YY -0.00006 0.00005 0.00039 0.00062 -0.00015 186 4ZZ -0.00004 0.00005 0.00029 0.00048 -0.00026 187 4XY -0.00002 0.00005 0.00021 0.00079 0.00004 188 4XZ -0.00001 -0.00001 -0.00001 -0.00008 -0.00001 189 4YZ -0.00002 -0.00001 0.00001 -0.00007 -0.00004 106 107 108 109 110 106 2S 0.16628 107 15 C 1S 0.00272 2.04980 108 2S -0.00660 -0.06512 0.34292 109 2PX 0.00748 -0.01455 0.02588 0.42798 110 2PY -0.00478 0.00000 0.00000 0.00000 0.29266 111 2PZ -0.00090 -0.01513 0.02463 -0.04322 0.00000 112 3S -0.01072 -0.14989 0.26013 0.04460 0.00000 113 3PX -0.00292 -0.00858 0.01869 0.15537 0.00000 114 3PY 0.00729 0.00000 0.00000 0.00000 0.07097 115 3PZ 0.00070 -0.01235 0.02302 -0.00828 0.00000 116 4XX 0.00160 -0.01781 0.00026 0.02405 0.00000 117 4YY 0.00112 -0.01312 -0.01025 -0.01563 0.00000 118 4ZZ -0.00256 -0.01764 -0.00043 -0.01019 0.00000 119 4XY -0.00147 0.00000 0.00000 0.00000 -0.02089 120 4XZ -0.00094 0.00060 -0.00098 -0.01143 0.00000 121 4YZ 0.00313 0.00000 0.00000 0.00000 -0.02049 122 16 C 1S -0.00157 -0.00316 0.00672 -0.01114 -0.00217 123 2S 0.00337 0.00630 -0.01756 0.02806 0.00474 124 2PX 0.00526 0.00913 -0.02192 0.02080 0.03531 125 2PY 0.00814 0.01013 -0.03219 0.01616 -0.02090 126 2PZ -0.00186 0.00381 -0.01020 0.02271 0.03815 127 3S 0.00730 0.00669 -0.01116 0.04028 -0.01438 128 3PX -0.00637 0.00601 -0.01085 0.01475 0.02862 129 3PY 0.00234 0.00710 -0.01567 0.00225 -0.02780 130 3PZ 0.00015 0.00104 0.00197 0.01111 0.02414 131 4XX 0.00073 -0.00035 0.00108 -0.00363 0.00023 132 4YY -0.00071 0.00097 -0.00241 0.00310 0.00266 133 4ZZ 0.00002 -0.00113 0.00264 -0.00371 -0.00408 134 4XY 0.00118 -0.00146 0.00346 -0.00387 -0.00847 135 4XZ -0.00037 -0.00001 0.00075 -0.00315 -0.00029 136 4YZ -0.00185 -0.00168 0.00394 -0.00431 -0.00716 137 17 C 1S 0.00286 -0.00316 0.00672 -0.01114 0.00217 138 2S -0.00626 0.00630 -0.01756 0.02806 -0.00474 139 2PX 0.01629 0.00913 -0.02192 0.02080 -0.03531 140 2PY -0.00553 -0.01013 0.03219 -0.01616 -0.02089 141 2PZ -0.03806 0.00381 -0.01020 0.02271 -0.03815 142 3S -0.01426 0.00669 -0.01116 0.04028 0.01438 143 3PX 0.02387 0.00601 -0.01085 0.01475 -0.02862 144 3PY -0.00532 -0.00710 0.01567 -0.00225 -0.02780 145 3PZ -0.02556 0.00104 0.00197 0.01111 -0.02414 146 4XX -0.00458 -0.00035 0.00108 -0.00363 -0.00023 147 4YY 0.00153 0.00097 -0.00241 0.00310 -0.00266 148 4ZZ 0.00305 -0.00113 0.00264 -0.00371 0.00408 149 4XY 0.00010 0.00146 -0.00346 0.00387 -0.00847 150 4XZ 0.00037 -0.00001 0.00075 -0.00315 0.00029 151 4YZ 0.00013 0.00168 -0.00394 0.00431 -0.00716 152 18 H 1S 0.00727 -0.05970 0.12411 0.27094 0.00000 153 2S 0.01619 -0.01230 0.03558 0.21702 0.00000 154 19 H 1S -0.00622 -0.00735 0.02026 -0.01912 -0.03006 155 2S -0.01089 -0.00777 0.02246 -0.02698 -0.03201 156 20 H 1S 0.01533 -0.00735 0.02026 -0.01912 0.03006 157 2S 0.01713 -0.00777 0.02246 -0.02698 0.03201 158 21 H 1S -0.00757 -0.05992 0.12295 -0.07202 -0.00001 159 2S -0.00842 -0.01152 0.03387 -0.08267 0.00000 160 22 O 1S -0.00390 0.00354 -0.00182 0.01530 -0.02797 161 2S 0.00520 -0.00655 0.00255 -0.03726 0.06677 162 2PX -0.03405 -0.02524 0.05128 -0.05318 0.12295 163 2PY 0.03723 0.05976 -0.13128 0.13986 -0.21998 164 2PZ 0.06462 -0.02420 0.04936 -0.05327 0.13948 165 3S 0.00937 0.02100 -0.05476 -0.02477 0.03596 166 3PX -0.02980 -0.00730 0.01641 -0.03750 0.04935 167 3PY 0.02631 0.03520 -0.07588 0.08018 -0.13392 168 3PZ 0.04875 -0.00645 0.01410 -0.01331 0.06656 169 4XX 0.00006 0.00031 -0.00092 0.00985 -0.00249 170 4YY -0.00276 -0.00712 0.01322 -0.01104 0.01051 171 4ZZ 0.00098 0.00033 -0.00064 -0.00019 -0.00109 172 4XY 0.00087 0.00305 -0.00578 -0.00349 -0.00263 173 4XZ -0.00114 -0.00130 0.00169 0.00297 0.00092 174 4YZ -0.00220 0.00368 -0.00687 0.00514 -0.00522 175 23 O 1S -0.00186 0.00354 -0.00182 0.01530 0.02797 176 2S 0.00405 -0.00655 0.00255 -0.03726 -0.06677 177 2PX 0.00766 -0.02524 0.05128 -0.05318 -0.12294 178 2PY 0.00835 -0.05975 0.13128 -0.13986 -0.21997 179 2PZ -0.00691 -0.02421 0.04936 -0.05328 -0.13949 180 3S 0.01126 0.02100 -0.05476 -0.02477 -0.03596 181 3PX 0.00768 -0.00730 0.01641 -0.03750 -0.04935 182 3PY 0.00726 -0.03520 0.07587 -0.08018 -0.13392 183 3PZ -0.00401 -0.00645 0.01410 -0.01332 -0.06656 184 4XX 0.00018 0.00031 -0.00092 0.00985 0.00249 185 4YY 0.00006 -0.00712 0.01322 -0.01104 -0.01050 186 4ZZ -0.00050 0.00033 -0.00064 -0.00019 0.00109 187 4XY 0.00018 -0.00305 0.00578 0.00349 -0.00263 188 4XZ 0.00030 -0.00130 0.00169 0.00297 -0.00092 189 4YZ -0.00058 -0.00368 0.00687 -0.00514 -0.00522 111 112 113 114 115 111 2PZ 0.42493 112 3S 0.05588 0.23350 113 3PX -0.01403 0.01607 0.06205 114 3PY 0.00000 0.00000 0.00000 0.02607 115 3PZ 0.14522 0.02150 -0.00376 0.00000 0.06494 116 4XX -0.00914 0.00239 0.00680 0.00000 0.00047 117 4YY -0.01615 -0.01289 -0.00513 0.00000 -0.00463 118 4ZZ 0.02328 0.00320 -0.00204 0.00000 0.00358 119 4XY 0.00000 0.00000 0.00000 -0.00389 0.00000 120 4XZ -0.01231 -0.00368 -0.00378 0.00000 -0.00399 121 4YZ 0.00000 0.00000 0.00000 -0.00288 0.00000 122 16 C 1S -0.00866 0.00988 -0.00779 -0.00139 -0.00626 123 2S 0.02121 -0.01226 0.01318 0.00393 0.01180 124 2PX 0.03431 -0.04433 0.01209 0.03155 0.03279 125 2PY 0.02128 -0.05398 0.01701 -0.00045 0.02176 126 2PZ 0.00270 -0.00799 0.01130 0.03294 -0.00869 127 3S 0.03382 0.00698 0.01714 -0.00616 0.00196 128 3PX 0.02619 -0.01790 0.00544 0.00959 0.02104 129 3PY 0.00357 -0.02482 0.00312 -0.00234 0.01079 130 3PZ -0.00501 0.01203 0.00396 0.00879 -0.01368 131 4XX -0.00250 -0.00051 0.00005 0.00246 -0.00320 132 4YY 0.00292 -0.00182 0.00128 -0.00101 0.00132 133 4ZZ -0.00353 0.00211 -0.00287 -0.00153 0.00096 134 4XY -0.00433 0.00259 -0.00192 -0.00349 -0.00042 135 4XZ -0.00326 -0.00119 -0.00119 0.00166 0.00022 136 4YZ -0.00376 0.00486 -0.00177 -0.00356 -0.00289 137 17 C 1S -0.00866 0.00988 -0.00779 0.00139 -0.00626 138 2S 0.02121 -0.01226 0.01318 -0.00393 0.01180 139 2PX 0.03431 -0.04433 0.01209 -0.03155 0.03279 140 2PY -0.02128 0.05398 -0.01702 -0.00044 -0.02176 141 2PZ 0.00269 -0.00799 0.01130 -0.03294 -0.00869 142 3S 0.03382 0.00698 0.01714 0.00616 0.00196 143 3PX 0.02618 -0.01790 0.00544 -0.00959 0.02104 144 3PY -0.00358 0.02482 -0.00312 -0.00234 -0.01080 145 3PZ -0.00501 0.01203 0.00396 -0.00879 -0.01368 146 4XX -0.00250 -0.00051 0.00005 -0.00246 -0.00320 147 4YY 0.00292 -0.00182 0.00128 0.00101 0.00132 148 4ZZ -0.00353 0.00211 -0.00287 0.00153 0.00096 149 4XY 0.00433 -0.00259 0.00192 -0.00349 0.00042 150 4XZ -0.00326 -0.00119 -0.00119 -0.00166 0.00022 151 4YZ 0.00376 -0.00486 0.00177 -0.00356 0.00289 152 18 H 1S -0.06535 0.10661 0.09598 0.00000 -0.00321 153 2S -0.07301 0.03008 0.06958 0.00000 0.00206 154 19 H 1S -0.01935 0.02999 -0.01340 -0.02407 -0.00663 155 2S -0.03246 0.02716 -0.01776 -0.02344 -0.00697 156 20 H 1S -0.01935 0.02999 -0.01340 0.02407 -0.00663 157 2S -0.03245 0.02716 -0.01776 0.02344 -0.00696 158 21 H 1S 0.26778 0.11638 -0.01748 0.00000 0.08286 159 2S 0.21793 0.04305 -0.01689 0.00000 0.04493 160 22 O 1S 0.01500 0.02924 -0.00403 -0.00234 -0.00333 161 2S -0.03596 -0.07391 0.00862 0.00203 0.00686 162 2PX -0.05822 0.03116 0.00237 0.04753 -0.06071 163 2PY 0.14514 -0.09643 0.05248 -0.01939 0.05201 164 2PZ -0.05257 0.02268 -0.04081 0.06253 0.03542 165 3S -0.02662 -0.13767 0.01708 -0.00629 0.01927 166 3PX -0.01732 0.00867 0.00189 0.02070 -0.03707 167 3PY 0.08587 -0.05611 0.03033 -0.00874 0.03009 168 3PZ -0.03962 -0.00201 -0.02004 0.03357 0.02610 169 4XX 0.00035 0.00126 0.00281 -0.00039 0.00025 170 4YY -0.01120 0.00987 -0.00396 0.00112 -0.00408 171 4ZZ 0.00931 0.00118 -0.00003 0.00049 0.00221 172 4XY 0.00410 -0.00446 -0.00213 -0.00188 0.00299 173 4XZ 0.00265 0.00061 0.00170 -0.00024 0.00123 174 4YZ -0.00220 -0.00522 0.00267 -0.00254 -0.00263 175 23 O 1S 0.01500 0.02924 -0.00403 0.00234 -0.00333 176 2S -0.03596 -0.07391 0.00862 -0.00203 0.00686 177 2PX -0.05823 0.03116 0.00237 -0.04752 -0.06071 178 2PY -0.14514 0.09643 -0.05247 -0.01939 -0.05201 179 2PZ -0.05258 0.02268 -0.04081 -0.06253 0.03542 180 3S -0.02662 -0.13767 0.01708 0.00629 0.01927 181 3PX -0.01733 0.00867 0.00189 -0.02070 -0.03707 182 3PY -0.08587 0.05611 -0.03033 -0.00873 -0.03009 183 3PZ -0.03962 -0.00201 -0.02004 -0.03357 0.02610 184 4XX 0.00035 0.00126 0.00281 0.00039 0.00025 185 4YY -0.01121 0.00987 -0.00396 -0.00112 -0.00408 186 4ZZ 0.00931 0.00118 -0.00003 -0.00049 0.00221 187 4XY -0.00410 0.00446 0.00213 -0.00188 -0.00299 188 4XZ 0.00265 0.00062 0.00170 0.00024 0.00123 189 4YZ 0.00220 0.00523 -0.00267 -0.00254 0.00263 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00124 0.00343 118 4ZZ -0.00166 -0.00138 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ -0.00011 0.00051 -0.00014 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 0.00102 0.00000 122 16 C 1S -0.00162 0.00217 -0.00094 -0.00103 -0.00005 123 2S 0.00400 -0.00464 0.00176 0.00239 0.00046 124 2PX 0.00735 -0.00888 0.00479 0.00015 0.00443 125 2PY -0.00167 0.00517 -0.00206 0.00067 0.00026 126 2PZ 0.00610 -0.00718 0.00340 0.00422 0.00260 127 3S 0.00032 -0.00421 0.00360 0.00110 -0.00244 128 3PX 0.00299 -0.00355 0.00142 -0.00345 0.00084 129 3PY 0.00046 0.00211 -0.00190 0.00191 0.00049 130 3PZ 0.00146 -0.00332 0.00199 -0.00079 0.00028 131 4XX -0.00073 -0.00023 0.00112 -0.00018 0.00044 132 4YY -0.00007 0.00019 -0.00013 -0.00054 -0.00030 133 4ZZ 0.00058 0.00040 -0.00110 0.00069 0.00005 134 4XY 0.00016 0.00003 -0.00034 0.00038 0.00031 135 4XZ 0.00060 -0.00024 -0.00016 0.00063 0.00052 136 4YZ -0.00033 -0.00008 0.00022 -0.00005 0.00015 137 17 C 1S -0.00162 0.00217 -0.00094 0.00103 -0.00005 138 2S 0.00400 -0.00464 0.00176 -0.00239 0.00046 139 2PX 0.00735 -0.00888 0.00479 -0.00015 0.00443 140 2PY 0.00167 -0.00517 0.00206 0.00067 -0.00026 141 2PZ 0.00610 -0.00718 0.00340 -0.00422 0.00260 142 3S 0.00032 -0.00421 0.00360 -0.00110 -0.00244 143 3PX 0.00299 -0.00355 0.00142 0.00345 0.00084 144 3PY -0.00046 -0.00211 0.00190 0.00191 -0.00049 145 3PZ 0.00146 -0.00332 0.00199 0.00079 0.00028 146 4XX -0.00073 -0.00023 0.00112 0.00018 0.00044 147 4YY -0.00007 0.00019 -0.00013 0.00054 -0.00030 148 4ZZ 0.00058 0.00040 -0.00110 -0.00069 0.00005 149 4XY -0.00016 -0.00003 0.00034 0.00038 -0.00031 150 4XZ 0.00060 -0.00024 -0.00016 -0.00063 0.00052 151 4YZ 0.00033 0.00008 -0.00022 -0.00005 -0.00015 152 18 H 1S 0.02033 -0.01191 -0.01176 0.00000 -0.00525 153 2S 0.02111 -0.00689 -0.01530 0.00000 -0.00339 154 19 H 1S -0.00057 0.00081 -0.00195 0.00002 -0.00069 155 2S 0.00091 0.00129 -0.00371 -0.00015 0.00044 156 20 H 1S -0.00057 0.00081 -0.00195 -0.00002 -0.00069 157 2S 0.00091 0.00129 -0.00371 0.00015 0.00044 158 21 H 1S -0.01123 -0.01262 0.02042 0.00000 -0.00573 159 2S -0.01622 -0.00902 0.02416 0.00000 -0.00381 160 22 O 1S 0.00248 -0.00615 0.00217 0.00392 -0.00149 161 2S -0.00539 0.01471 -0.00418 -0.00925 0.00368 162 2PX -0.02408 0.01378 0.00780 0.00688 -0.00132 163 2PY -0.00103 0.00404 -0.00108 0.01986 -0.01286 164 2PZ 0.00835 0.01596 -0.02692 -0.01748 -0.00135 165 3S -0.00774 0.02322 -0.00867 -0.00751 0.00155 166 3PX -0.01644 0.00750 0.00797 0.00700 -0.00096 167 3PY -0.00130 0.00300 -0.00068 0.01254 -0.00776 168 3PZ 0.00819 0.00988 -0.01913 -0.01068 -0.00089 169 4XX 0.00094 -0.00058 -0.00039 -0.00007 -0.00035 170 4YY -0.00003 -0.00031 0.00013 -0.00082 0.00098 171 4ZZ -0.00048 -0.00042 0.00081 0.00036 -0.00037 172 4XY 0.00079 -0.00054 -0.00004 -0.00052 0.00029 173 4XZ 0.00011 -0.00031 0.00027 -0.00012 -0.00004 174 4YZ -0.00001 -0.00060 0.00083 0.00065 0.00020 175 23 O 1S 0.00248 -0.00615 0.00217 -0.00392 -0.00149 176 2S -0.00539 0.01471 -0.00417 0.00925 0.00368 177 2PX -0.02408 0.01378 0.00780 -0.00688 -0.00132 178 2PY 0.00103 -0.00404 0.00108 0.01986 0.01286 179 2PZ 0.00835 0.01596 -0.02692 0.01748 -0.00135 180 3S -0.00774 0.02322 -0.00867 0.00751 0.00155 181 3PX -0.01644 0.00750 0.00797 -0.00700 -0.00096 182 3PY 0.00130 -0.00300 0.00068 0.01254 0.00776 183 3PZ 0.00819 0.00988 -0.01913 0.01068 -0.00089 184 4XX 0.00094 -0.00058 -0.00039 0.00007 -0.00035 185 4YY -0.00003 -0.00031 0.00013 0.00082 0.00098 186 4ZZ -0.00048 -0.00042 0.00081 -0.00036 -0.00037 187 4XY -0.00079 0.00054 0.00004 -0.00052 -0.00029 188 4XZ 0.00011 -0.00031 0.00027 0.00012 -0.00004 189 4YZ 0.00001 0.00060 -0.00083 0.00065 -0.00020 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S -0.00012 -0.06339 0.33288 124 2PX 0.00418 0.01203 -0.01861 0.34621 125 2PY 0.00250 -0.00506 0.01303 0.04015 0.43070 126 2PZ -0.00145 0.01511 -0.02721 -0.02220 0.02892 127 3S 0.00005 -0.17203 0.27248 -0.09834 -0.01737 128 3PX 0.00061 0.01878 -0.03665 0.16688 0.03759 129 3PY 0.00299 -0.00736 0.00397 0.05104 0.12293 130 3PZ -0.00240 0.00255 -0.01650 -0.08140 -0.01243 131 4XX 0.00103 -0.01177 -0.01308 0.01163 -0.00701 132 4YY -0.00052 -0.01725 -0.00102 -0.00623 0.01259 133 4ZZ -0.00028 -0.01571 -0.00410 -0.00185 -0.01309 134 4XY 0.00013 -0.00020 0.00034 -0.00113 0.00496 135 4XZ 0.00022 -0.00345 0.00809 0.01110 -0.00916 136 4YZ 0.00040 -0.00424 0.00860 -0.01262 -0.00768 137 17 C 1S 0.00000 0.01947 -0.04084 0.01341 -0.08014 138 2S 0.00012 -0.04084 0.07591 -0.02567 0.16581 139 2PX -0.00419 0.01341 -0.02566 0.16092 0.01946 140 2PY 0.00250 0.08014 -0.16581 -0.01945 -0.32465 141 2PZ 0.00145 -0.01090 0.01981 -0.09936 -0.03387 142 3S -0.00005 0.00180 0.02807 -0.06625 0.12944 143 3PX -0.00061 0.00344 -0.00368 0.09437 0.01941 144 3PY 0.00299 0.00105 -0.01885 -0.02434 -0.10079 145 3PZ 0.00240 -0.00661 0.01818 -0.06393 -0.03851 146 4XX -0.00103 0.00325 -0.00759 -0.00048 -0.01313 147 4YY 0.00052 -0.00653 0.01193 0.00092 0.00799 148 4ZZ 0.00028 0.00346 -0.00794 0.00233 -0.01007 149 4XY 0.00013 -0.00007 0.00037 -0.01259 -0.00563 150 4XZ -0.00022 0.00133 -0.00307 0.00017 -0.00448 151 4YZ 0.00040 -0.00081 0.00171 0.00512 -0.00038 152 18 H 1S 0.00000 -0.00481 0.01264 0.02125 -0.00579 153 2S 0.00000 -0.00436 0.01309 0.04173 0.00555 154 19 H 1S -0.00063 -0.06820 0.13566 -0.06570 -0.16920 155 2S -0.00038 -0.02048 0.04650 -0.03956 -0.13844 156 20 H 1S 0.00063 0.01654 -0.03648 0.00832 -0.04030 157 2S 0.00038 0.02040 -0.04063 0.02370 -0.06419 158 21 H 1S 0.00000 -0.00290 0.00541 0.00916 -0.00538 159 2S 0.00000 -0.00329 0.00506 -0.00164 -0.00259 160 22 O 1S 0.00458 -0.00177 0.00495 0.00445 0.00162 161 2S -0.01105 0.00716 -0.01548 -0.01396 -0.01726 162 2PX -0.01703 -0.01256 0.02727 -0.07076 0.03231 163 2PY 0.02150 -0.02271 0.05458 0.02754 0.05833 164 2PZ 0.00890 0.00200 -0.00190 0.04869 0.05123 165 3S -0.00926 -0.00338 -0.00397 -0.01643 0.03056 166 3PX -0.01035 -0.00941 0.02046 -0.05943 0.01728 167 3PY 0.01359 -0.01410 0.03728 0.01911 0.03996 168 3PZ 0.00787 0.00235 -0.00388 0.04772 0.04114 169 4XX 0.00048 0.00027 0.00014 -0.00368 -0.00416 170 4YY -0.00102 0.00139 -0.00234 -0.00091 -0.00258 171 4ZZ 0.00007 0.00102 -0.00120 0.00256 -0.00250 172 4XY 0.00044 -0.00070 0.00154 0.00303 0.00608 173 4XZ -0.00032 -0.00006 0.00020 0.00117 0.00136 174 4YZ -0.00038 -0.00092 0.00213 0.00170 0.00473 175 23 O 1S -0.00458 0.00537 -0.00687 -0.02953 0.00841 176 2S 0.01105 -0.00988 0.01073 0.06593 -0.03095 177 2PX 0.01703 0.05683 -0.12360 -0.16691 0.10826 178 2PY 0.02150 -0.02548 0.05166 0.09861 -0.03173 179 2PZ -0.00889 0.03477 -0.06520 -0.17837 0.07012 180 3S 0.00926 0.01404 -0.02641 0.06857 0.04043 181 3PX 0.01035 0.02658 -0.06225 -0.10153 0.05729 182 3PY 0.01359 -0.01946 0.03879 0.07144 -0.02507 183 3PZ -0.00787 0.01512 -0.02656 -0.08268 0.04075 184 4XX -0.00048 -0.00369 0.00604 -0.00642 -0.00823 185 4YY 0.00102 -0.00126 0.00120 0.00465 -0.00050 186 4ZZ -0.00007 -0.00089 0.00060 0.00146 -0.00487 187 4XY 0.00044 0.00464 -0.00907 -0.00889 -0.00340 188 4XZ 0.00032 -0.00489 0.00780 0.00431 -0.00310 189 4YZ -0.00038 0.00277 -0.00505 -0.01130 -0.00410 126 127 128 129 130 126 2PZ 0.37881 127 3S -0.02416 0.30240 128 3PX -0.08370 -0.06511 0.10753 129 3PY -0.01636 0.00108 0.03278 0.05313 130 3PZ 0.16316 0.01250 -0.06592 -0.02381 0.09324 131 4XX 0.01131 -0.01110 0.00269 -0.00135 0.00336 132 4YY -0.00557 -0.00002 0.00019 0.00171 -0.00081 133 4ZZ -0.00482 -0.00313 -0.00075 -0.00225 -0.00239 134 4XY -0.01133 0.00070 0.00125 0.00301 -0.00445 135 4XZ 0.00702 0.00261 0.00148 -0.00128 -0.00019 136 4YZ -0.00937 0.01358 -0.00464 -0.00212 -0.00057 137 17 C 1S -0.01090 0.00180 0.00344 -0.00105 -0.00661 138 2S 0.01982 0.02807 -0.00368 0.01885 0.01819 139 2PX -0.09936 -0.06625 0.09437 0.02434 -0.06393 140 2PY 0.03385 -0.12945 -0.01941 -0.10079 0.03850 141 2PZ 0.11877 0.07405 -0.05074 -0.02188 0.08162 142 3S 0.07406 -0.02100 -0.03377 -0.01285 0.04415 143 3PX -0.05074 -0.03376 0.04459 0.01944 -0.04239 144 3PY 0.02187 0.01284 -0.01943 -0.02620 0.02098 145 3PZ 0.08162 0.04415 -0.04239 -0.02098 0.04845 146 4XX -0.00040 -0.00418 -0.00003 -0.00386 0.00090 147 4YY 0.00075 0.01065 -0.00134 0.00339 -0.00132 148 4ZZ -0.00379 -0.00858 0.00231 -0.00223 -0.00162 149 4XY 0.00419 0.00612 -0.00720 -0.00241 0.00480 150 4XZ -0.00034 -0.00378 0.00085 -0.00203 0.00145 151 4YZ -0.01435 0.00373 0.00559 0.00309 -0.00723 152 18 H 1S 0.01275 0.00895 0.01225 -0.00075 0.00418 153 2S 0.00475 -0.00501 0.02403 0.00974 -0.00722 154 19 H 1S -0.19079 0.13823 -0.01463 -0.04023 -0.06420 155 2S -0.15453 0.05309 0.00286 -0.02942 -0.05324 156 20 H 1S 0.00080 -0.06701 -0.00166 -0.02500 0.00188 157 2S 0.00812 -0.06605 0.00133 -0.02216 -0.00048 158 21 H 1S 0.00812 0.02076 0.00569 -0.00940 0.00564 159 2S 0.02478 0.03060 -0.00485 -0.01304 0.01768 160 22 O 1S 0.00858 -0.01912 -0.00040 -0.00866 0.00034 161 2S -0.01590 0.03953 -0.00018 0.01381 0.00415 162 2PX 0.04710 0.05190 -0.06278 -0.00293 0.01590 163 2PY 0.01347 0.11865 -0.01225 0.07005 -0.02566 164 2PZ -0.05766 -0.02259 0.04580 0.04206 -0.04491 165 3S -0.06695 0.06992 0.00817 0.04760 -0.02587 166 3PX 0.04760 0.04013 -0.05124 -0.00649 0.02006 167 3PY 0.01437 0.07832 -0.00944 0.04593 -0.01464 168 3PZ -0.05144 -0.02364 0.03962 0.03260 -0.03818 169 4XX 0.00503 0.00129 -0.00203 -0.00205 0.00335 170 4YY 0.00125 -0.00668 -0.00009 -0.00370 0.00190 171 4ZZ -0.00056 -0.00190 0.00056 -0.00107 -0.00081 172 4XY -0.00086 -0.00119 0.00307 0.00152 -0.00019 173 4XZ 0.00027 -0.00024 0.00084 -0.00009 0.00043 174 4YZ 0.00040 0.00089 0.00049 0.00056 0.00013 175 23 O 1S -0.02341 0.03366 0.00189 0.00926 0.00881 176 2S 0.05396 -0.08566 -0.00925 -0.02010 -0.02162 177 2PX -0.18559 -0.03605 -0.02842 0.01431 -0.03341 178 2PY 0.06633 0.06384 -0.00555 0.04340 0.00081 179 2PZ -0.08073 -0.07379 -0.06531 0.02438 -0.03147 180 3S 0.04690 -0.14502 -0.00223 -0.00577 -0.03622 181 3PX -0.09087 -0.00385 -0.02098 0.00216 -0.00671 182 3PY 0.04916 0.04535 -0.00214 0.02759 0.00144 183 3PZ -0.05660 -0.04402 -0.02604 0.01819 -0.02934 184 4XX 0.00738 0.00707 -0.00484 -0.00343 0.00474 185 4YY 0.00290 0.00255 0.00001 0.00238 0.00049 186 4ZZ -0.00969 0.00268 0.00309 -0.00096 -0.00347 187 4XY -0.01056 -0.00459 -0.00132 -0.00224 -0.00177 188 4XZ -0.00127 0.00512 0.00089 -0.00065 -0.00174 189 4YZ -0.00184 -0.00392 -0.00492 -0.00177 0.00035 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00081 0.00124 133 4ZZ -0.00057 -0.00025 0.00166 134 4XY -0.00068 0.00016 0.00042 0.00146 135 4XZ 0.00036 -0.00086 0.00048 -0.00038 0.00147 136 4YZ -0.00059 0.00001 0.00006 0.00045 -0.00023 137 17 C 1S 0.00325 -0.00653 0.00346 0.00007 0.00133 138 2S -0.00759 0.01193 -0.00794 -0.00037 -0.00307 139 2PX -0.00048 0.00092 0.00233 0.01259 0.00017 140 2PY 0.01313 -0.00799 0.01007 -0.00563 0.00448 141 2PZ -0.00040 0.00075 -0.00379 -0.00419 -0.00034 142 3S -0.00418 0.01065 -0.00858 -0.00612 -0.00378 143 3PX -0.00003 -0.00134 0.00231 0.00720 0.00085 144 3PY 0.00386 -0.00339 0.00223 -0.00241 0.00203 145 3PZ 0.00090 -0.00132 -0.00162 -0.00480 0.00145 146 4XX 0.00057 -0.00034 0.00024 0.00016 0.00000 147 4YY -0.00034 -0.00010 -0.00026 -0.00009 0.00023 148 4ZZ 0.00024 -0.00026 0.00074 -0.00004 0.00019 149 4XY -0.00016 0.00009 0.00004 0.00000 -0.00036 150 4XZ 0.00000 0.00023 0.00019 0.00036 0.00004 151 4YZ -0.00047 0.00007 0.00022 0.00055 -0.00017 152 18 H 1S -0.00346 0.00043 0.00137 0.00038 0.00037 153 2S -0.00562 0.00070 0.00375 0.00106 0.00177 154 19 H 1S -0.01030 -0.00133 0.00728 0.00491 0.00219 155 2S -0.00710 -0.00114 0.00781 0.00503 0.00106 156 20 H 1S 0.00286 0.00067 0.00200 -0.00225 0.00135 157 2S 0.00382 -0.00248 0.00396 -0.00105 0.00287 158 21 H 1S 0.00242 0.00013 -0.00360 -0.00183 -0.00183 159 2S 0.00650 0.00011 -0.00765 -0.00380 -0.00289 160 22 O 1S 0.00017 -0.00113 -0.00041 -0.00019 0.00019 161 2S -0.00013 0.00172 0.00103 0.00005 -0.00040 162 2PX 0.00181 -0.00322 -0.00311 -0.00571 -0.00061 163 2PY 0.00128 -0.00525 -0.00022 -0.00352 0.00129 164 2PZ -0.00149 -0.00191 0.00376 -0.00395 0.00219 165 3S -0.00333 0.00284 0.00163 0.00090 -0.00219 166 3PX 0.00099 -0.00166 -0.00235 -0.00407 -0.00033 167 3PY 0.00137 -0.00393 -0.00031 -0.00219 0.00114 168 3PZ -0.00131 -0.00071 0.00283 -0.00122 0.00133 169 4XX -0.00005 0.00009 -0.00001 -0.00046 0.00004 170 4YY 0.00012 0.00005 0.00004 0.00039 0.00013 171 4ZZ 0.00028 -0.00010 -0.00004 -0.00010 -0.00003 172 4XY -0.00034 0.00045 -0.00018 0.00033 -0.00009 173 4XZ -0.00007 0.00027 -0.00014 0.00002 -0.00007 174 4YZ -0.00012 0.00028 -0.00037 0.00037 -0.00016 175 23 O 1S -0.00408 0.00187 -0.00015 0.00472 -0.00482 176 2S 0.01018 -0.00416 0.00085 -0.01094 0.01112 177 2PX 0.00967 0.00837 -0.01393 0.00470 -0.02047 178 2PY 0.01246 -0.01670 0.00483 0.01114 0.01396 179 2PZ -0.02966 0.00733 0.02319 0.01508 -0.00360 180 3S 0.00914 -0.00037 -0.00054 -0.01372 0.00833 181 3PX 0.00838 0.00484 -0.01121 0.00028 -0.01239 182 3PY 0.00826 -0.01109 0.00302 0.00645 0.00952 183 3PZ -0.02041 0.00452 0.01586 0.00910 -0.00057 184 4XX -0.00053 -0.00009 0.00032 -0.00036 0.00026 185 4YY 0.00073 -0.00086 0.00021 0.00086 0.00067 186 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 187 4XY 0.00044 0.00033 -0.00031 0.00003 -0.00095 188 4XZ 0.00015 -0.00020 -0.00014 -0.00023 0.00045 189 4YZ -0.00104 0.00016 0.00112 0.00036 -0.00013 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00081 2.05255 138 2S -0.00171 -0.06339 0.33288 139 2PX -0.00512 0.01203 -0.01861 0.34621 140 2PY -0.00038 0.00506 -0.01303 -0.04015 0.43070 141 2PZ 0.01435 0.01511 -0.02721 -0.02221 -0.02892 142 3S -0.00373 -0.17204 0.27248 -0.09835 0.01738 143 3PX -0.00559 0.01878 -0.03666 0.16688 -0.03758 144 3PY 0.00309 0.00736 -0.00397 -0.05103 0.12294 145 3PZ 0.00723 0.00255 -0.01650 -0.08140 0.01243 146 4XX 0.00047 -0.01177 -0.01308 0.01163 0.00701 147 4YY -0.00007 -0.01725 -0.00102 -0.00623 -0.01259 148 4ZZ -0.00022 -0.01571 -0.00410 -0.00184 0.01309 149 4XY 0.00055 0.00020 -0.00034 0.00113 0.00496 150 4XZ 0.00017 -0.00345 0.00809 0.01110 0.00916 151 4YZ 0.00062 0.00424 -0.00860 0.01262 -0.00768 152 18 H 1S -0.00170 -0.00481 0.01264 0.02125 0.00579 153 2S -0.00353 -0.00436 0.01309 0.04173 -0.00555 154 19 H 1S 0.01375 0.01654 -0.03648 0.00832 0.04030 155 2S 0.00999 0.02040 -0.04063 0.02370 0.06419 156 20 H 1S -0.00732 -0.06820 0.13565 -0.06569 0.16921 157 2S -0.00649 -0.02048 0.04650 -0.03956 0.13844 158 21 H 1S 0.00070 -0.00290 0.00541 0.00916 0.00537 159 2S 0.00148 -0.00329 0.00506 -0.00164 0.00259 160 22 O 1S -0.00025 0.00537 -0.00687 -0.02953 -0.00841 161 2S 0.00048 -0.00988 0.01073 0.06593 0.03094 162 2PX -0.00497 0.05683 -0.12360 -0.16692 -0.10825 163 2PY -0.00300 0.02548 -0.05165 -0.09860 -0.03173 164 2PZ -0.00360 0.03477 -0.06520 -0.17837 -0.07011 165 3S 0.00023 0.01404 -0.02641 0.06857 -0.04043 166 3PX -0.00223 0.02658 -0.06225 -0.10153 -0.05728 167 3PY -0.00193 0.01946 -0.03879 -0.07143 -0.02507 168 3PZ -0.00308 0.01512 -0.02656 -0.08268 -0.04075 169 4XX 0.00020 -0.00369 0.00604 -0.00642 0.00823 170 4YY 0.00029 -0.00126 0.00120 0.00465 0.00050 171 4ZZ -0.00046 -0.00089 0.00060 0.00146 0.00487 172 4XY 0.00023 -0.00464 0.00907 0.00889 -0.00340 173 4XZ -0.00020 -0.00489 0.00780 0.00431 0.00310 174 4YZ -0.00002 -0.00277 0.00505 0.01130 -0.00410 175 23 O 1S 0.00418 -0.00177 0.00495 0.00445 -0.00162 176 2S -0.00916 0.00716 -0.01548 -0.01396 0.01727 177 2PX 0.01404 -0.01256 0.02728 -0.07076 -0.03231 178 2PY 0.00988 0.02271 -0.05458 -0.02754 0.05834 179 2PZ -0.00086 0.00200 -0.00190 0.04870 -0.05122 180 3S -0.01643 -0.00338 -0.00397 -0.01643 -0.03056 181 3PX 0.00876 -0.00941 0.02046 -0.05943 -0.01729 182 3PY 0.00552 0.01410 -0.03728 -0.01911 0.03997 183 3PZ -0.00238 0.00235 -0.00388 0.04772 -0.04114 184 4XX 0.00009 0.00027 0.00014 -0.00368 0.00416 185 4YY 0.00082 0.00139 -0.00234 -0.00091 0.00258 186 4ZZ 0.00035 0.00102 -0.00120 0.00256 0.00250 187 4XY 0.00054 0.00070 -0.00154 -0.00303 0.00608 188 4XZ 0.00007 -0.00006 0.00020 0.00117 -0.00136 189 4YZ 0.00011 0.00092 -0.00213 -0.00170 0.00473 141 142 143 144 145 141 2PZ 0.37881 142 3S -0.02415 0.30241 143 3PX -0.08370 -0.06512 0.10753 144 3PY 0.01636 -0.00108 -0.03278 0.05313 145 3PZ 0.16315 0.01250 -0.06591 0.02381 0.09324 146 4XX 0.01131 -0.01110 0.00269 0.00135 0.00336 147 4YY -0.00557 -0.00002 0.00019 -0.00171 -0.00081 148 4ZZ -0.00482 -0.00313 -0.00075 0.00225 -0.00239 149 4XY 0.01133 -0.00070 -0.00125 0.00301 0.00445 150 4XZ 0.00702 0.00261 0.00148 0.00128 -0.00019 151 4YZ 0.00937 -0.01358 0.00464 -0.00212 0.00057 152 18 H 1S 0.01275 0.00895 0.01225 0.00075 0.00418 153 2S 0.00475 -0.00501 0.02403 -0.00974 -0.00722 154 19 H 1S 0.00081 -0.06701 -0.00166 0.02500 0.00188 155 2S 0.00813 -0.06605 0.00133 0.02216 -0.00048 156 20 H 1S -0.19079 0.13823 -0.01463 0.04024 -0.06420 157 2S -0.15453 0.05309 0.00286 0.02942 -0.05324 158 21 H 1S 0.00813 0.02077 0.00569 0.00940 0.00564 159 2S 0.02478 0.03060 -0.00485 0.01303 0.01767 160 22 O 1S -0.02341 0.03366 0.00189 -0.00926 0.00881 161 2S 0.05396 -0.08566 -0.00925 0.02010 -0.02161 162 2PX -0.18559 -0.03605 -0.02842 -0.01431 -0.03341 163 2PY -0.06632 -0.06384 0.00555 0.04340 -0.00081 164 2PZ -0.08074 -0.07379 -0.06531 -0.02438 -0.03146 165 3S 0.04689 -0.14503 -0.00222 0.00577 -0.03622 166 3PX -0.09087 -0.00385 -0.02098 -0.00216 -0.00671 167 3PY -0.04916 -0.04535 0.00214 0.02759 -0.00144 168 3PZ -0.05660 -0.04402 -0.02604 -0.01819 -0.02934 169 4XX 0.00738 0.00707 -0.00484 0.00343 0.00474 170 4YY 0.00290 0.00255 0.00001 -0.00238 0.00049 171 4ZZ -0.00969 0.00268 0.00309 0.00096 -0.00347 172 4XY 0.01056 0.00459 0.00132 -0.00224 0.00177 173 4XZ -0.00127 0.00512 0.00089 0.00065 -0.00174 174 4YZ 0.00184 0.00392 0.00492 -0.00177 -0.00035 175 23 O 1S 0.00858 -0.01912 -0.00040 0.00866 0.00034 176 2S -0.01590 0.03953 -0.00018 -0.01382 0.00415 177 2PX 0.04710 0.05190 -0.06278 0.00293 0.01590 178 2PY -0.01347 -0.11865 0.01225 0.07005 0.02566 179 2PZ -0.05767 -0.02259 0.04580 -0.04206 -0.04491 180 3S -0.06695 0.06992 0.00817 -0.04760 -0.02587 181 3PX 0.04760 0.04013 -0.05124 0.00649 0.02006 182 3PY -0.01436 -0.07832 0.00944 0.04593 0.01465 183 3PZ -0.05144 -0.02364 0.03962 -0.03260 -0.03818 184 4XX 0.00503 0.00129 -0.00203 0.00205 0.00335 185 4YY 0.00125 -0.00668 -0.00009 0.00370 0.00190 186 4ZZ -0.00056 -0.00190 0.00056 0.00107 -0.00081 187 4XY 0.00086 0.00119 -0.00307 0.00152 0.00019 188 4XZ 0.00027 -0.00024 0.00084 0.00009 0.00043 189 4YZ -0.00039 -0.00089 -0.00049 0.00056 -0.00013 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00081 0.00124 148 4ZZ -0.00057 -0.00025 0.00166 149 4XY 0.00068 -0.00016 -0.00042 0.00146 150 4XZ 0.00036 -0.00086 0.00048 0.00038 0.00147 151 4YZ 0.00059 -0.00001 -0.00006 0.00045 0.00023 152 18 H 1S -0.00346 0.00043 0.00137 -0.00038 0.00037 153 2S -0.00562 0.00070 0.00375 -0.00106 0.00177 154 19 H 1S 0.00286 0.00067 0.00200 0.00225 0.00135 155 2S 0.00382 -0.00248 0.00396 0.00105 0.00287 156 20 H 1S -0.01030 -0.00133 0.00728 -0.00491 0.00219 157 2S -0.00710 -0.00114 0.00781 -0.00503 0.00106 158 21 H 1S 0.00242 0.00013 -0.00360 0.00183 -0.00183 159 2S 0.00650 0.00011 -0.00765 0.00380 -0.00289 160 22 O 1S -0.00408 0.00187 -0.00015 -0.00472 -0.00482 161 2S 0.01018 -0.00416 0.00085 0.01094 0.01112 162 2PX 0.00967 0.00837 -0.01393 -0.00470 -0.02047 163 2PY -0.01246 0.01669 -0.00483 0.01114 -0.01396 164 2PZ -0.02966 0.00733 0.02319 -0.01508 -0.00360 165 3S 0.00914 -0.00037 -0.00054 0.01372 0.00833 166 3PX 0.00838 0.00484 -0.01121 -0.00028 -0.01239 167 3PY -0.00826 0.01108 -0.00302 0.00645 -0.00952 168 3PZ -0.02041 0.00453 0.01586 -0.00910 -0.00057 169 4XX -0.00053 -0.00009 0.00032 0.00036 0.00026 170 4YY 0.00073 -0.00086 0.00021 -0.00086 0.00067 171 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 172 4XY -0.00044 -0.00033 0.00031 0.00003 0.00095 173 4XZ 0.00015 -0.00020 -0.00014 0.00023 0.00045 174 4YZ 0.00104 -0.00016 -0.00112 0.00036 0.00013 175 23 O 1S 0.00017 -0.00113 -0.00041 0.00019 0.00019 176 2S -0.00013 0.00172 0.00103 -0.00005 -0.00040 177 2PX 0.00181 -0.00322 -0.00311 0.00571 -0.00061 178 2PY -0.00128 0.00525 0.00022 -0.00352 -0.00129 179 2PZ -0.00149 -0.00191 0.00376 0.00395 0.00219 180 3S -0.00333 0.00284 0.00163 -0.00090 -0.00219 181 3PX 0.00099 -0.00166 -0.00235 0.00407 -0.00033 182 3PY -0.00137 0.00393 0.00031 -0.00219 -0.00114 183 3PZ -0.00131 -0.00071 0.00283 0.00122 0.00133 184 4XX -0.00005 0.00009 -0.00001 0.00046 0.00004 185 4YY 0.00012 0.00005 0.00004 -0.00039 0.00013 186 4ZZ 0.00028 -0.00010 -0.00004 0.00010 -0.00003 187 4XY 0.00034 -0.00045 0.00018 0.00033 0.00009 188 4XZ -0.00007 0.00027 -0.00014 -0.00002 -0.00007 189 4YZ 0.00012 -0.00028 0.00037 0.00037 0.00016 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S 0.00170 0.22350 153 2S 0.00353 0.17400 0.16575 154 19 H 1S 0.00732 -0.00082 -0.00206 0.21549 155 2S 0.00649 0.00158 0.00586 0.15286 0.12398 156 20 H 1S -0.01375 -0.00082 -0.00206 -0.01120 -0.00665 157 2S -0.00999 0.00158 0.00586 -0.00665 0.00087 158 21 H 1S -0.00070 -0.04299 -0.08220 -0.00729 -0.01729 159 2S -0.00148 -0.08901 -0.12032 -0.01840 -0.03271 160 22 O 1S -0.00418 0.01026 0.00569 -0.00352 -0.00324 161 2S 0.00916 -0.02489 -0.01480 0.00990 0.00967 162 2PX -0.01403 -0.06500 -0.11693 -0.02877 -0.05949 163 2PY 0.00988 0.01387 0.03139 -0.01996 -0.04327 164 2PZ 0.00086 0.02894 0.07574 -0.00586 0.00657 165 3S 0.01642 -0.04014 -0.01081 0.01898 0.01363 166 3PX -0.00876 -0.05426 -0.08764 -0.02012 -0.04089 167 3PY 0.00552 0.00601 0.01562 -0.01569 -0.03098 168 3PZ 0.00238 0.03096 0.06853 -0.00330 0.00722 169 4XX -0.00009 0.00638 0.00588 -0.00004 0.00016 170 4YY -0.00082 -0.00047 -0.00281 0.00060 0.00204 171 4ZZ -0.00035 -0.00215 -0.00286 -0.00074 -0.00140 172 4XY 0.00054 -0.00191 0.00179 -0.00077 0.00066 173 4XZ -0.00007 0.00194 0.00098 -0.00092 -0.00084 174 4YZ 0.00011 -0.00018 -0.00080 -0.00109 -0.00143 175 23 O 1S 0.00025 0.01026 0.00569 0.01458 0.01571 176 2S -0.00048 -0.02489 -0.01480 -0.02981 -0.03187 177 2PX 0.00497 -0.06500 -0.11693 0.01400 0.01595 178 2PY -0.00300 -0.01387 -0.03139 0.01735 0.02195 179 2PZ 0.00360 0.02894 0.07574 0.04334 0.07312 180 3S -0.00023 -0.04014 -0.01081 -0.07739 -0.06864 181 3PX 0.00223 -0.05426 -0.08764 0.00236 -0.00177 182 3PY -0.00193 -0.00601 -0.01563 0.00922 0.01053 183 3PZ 0.00308 0.03096 0.06853 0.03208 0.04921 184 4XX -0.00020 0.00638 0.00588 0.00288 0.00109 185 4YY -0.00029 -0.00047 -0.00281 0.00091 0.00185 186 4ZZ 0.00046 -0.00215 -0.00286 0.00570 0.00403 187 4XY 0.00023 0.00191 -0.00179 0.00313 0.00327 188 4XZ 0.00020 0.00194 0.00098 0.00366 0.00123 189 4YZ -0.00002 0.00018 0.00080 0.00319 0.00428 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.15286 0.12398 158 21 H 1S -0.00729 -0.01729 0.22400 159 2S -0.01840 -0.03272 0.18435 0.19868 160 22 O 1S 0.01458 0.01571 0.00889 0.00532 2.07557 161 2S -0.02981 -0.03187 -0.02015 -0.01017 -0.17799 162 2PX 0.01400 0.01595 0.02511 0.08181 -0.01250 163 2PY -0.01735 -0.02195 0.01453 0.02793 -0.03973 164 2PZ 0.04334 0.07312 -0.07387 -0.15908 -0.00479 165 3S -0.07739 -0.06864 -0.04561 -0.02894 -0.24523 166 3PX 0.00236 -0.00177 0.02836 0.07362 -0.00937 167 3PY -0.00922 -0.01053 0.00975 0.01834 -0.02573 168 3PZ 0.03208 0.04921 -0.06365 -0.12020 -0.00454 169 4XX 0.00288 0.00109 -0.00188 -0.00272 -0.01520 170 4YY 0.00091 0.00185 0.00010 -0.00145 -0.01267 171 4ZZ 0.00570 0.00403 0.00617 0.00636 -0.01397 172 4XY -0.00313 -0.00327 -0.00032 -0.00176 0.00150 173 4XZ 0.00366 0.00123 0.00216 0.00178 -0.00372 174 4YZ -0.00319 -0.00428 -0.00169 0.00307 0.00139 175 23 O 1S -0.00352 -0.00324 0.00889 0.00532 0.00092 176 2S 0.00990 0.00967 -0.02015 -0.01017 -0.00175 177 2PX -0.02877 -0.05949 0.02511 0.08181 -0.00452 178 2PY 0.01996 0.04326 -0.01452 -0.02793 0.01104 179 2PZ -0.00586 0.00658 -0.07387 -0.15908 -0.00932 180 3S 0.01898 0.01363 -0.04561 -0.02895 -0.01295 181 3PX -0.02012 -0.04089 0.02836 0.07362 -0.00662 182 3PY 0.01569 0.03098 -0.00975 -0.01834 0.00453 183 3PZ -0.00330 0.00722 -0.06365 -0.12019 -0.01027 184 4XX -0.00004 0.00016 -0.00188 -0.00272 0.00031 185 4YY 0.00060 0.00204 0.00010 -0.00145 0.00035 186 4ZZ -0.00074 -0.00140 0.00617 0.00636 -0.00024 187 4XY 0.00077 -0.00066 0.00032 0.00176 -0.00079 188 4XZ -0.00092 -0.00084 0.00216 0.00178 0.00022 189 4YZ 0.00109 0.00143 0.00169 -0.00307 -0.00075 161 162 163 164 165 161 2S 0.50359 162 2PX 0.02848 0.64787 163 2PY 0.07465 0.02592 0.66557 164 2PZ 0.00378 -0.13784 0.04096 0.71656 165 3S 0.59251 0.04937 0.21999 0.05283 0.75619 166 3PX 0.02092 0.40595 0.03493 -0.15871 0.03226 167 3PY 0.04921 0.03541 0.42233 0.03763 0.14005 168 3PZ 0.00465 -0.14600 0.04614 0.46287 0.04142 169 4XX -0.00285 -0.01348 0.00530 0.00322 -0.00420 170 4YY -0.00833 0.00249 -0.04105 -0.00244 -0.01835 171 4ZZ -0.00548 0.00533 0.00589 -0.00733 -0.00646 172 4XY -0.00344 -0.02796 -0.00807 0.00450 -0.00490 173 4XZ 0.00792 -0.00238 -0.00090 -0.00742 0.00741 174 4YZ -0.00292 0.00402 -0.00308 -0.02923 -0.00413 175 23 O 1S -0.00175 -0.00452 -0.01104 -0.00932 -0.01295 176 2S 0.00434 0.00772 0.02887 0.01773 0.02675 177 2PX 0.00772 0.00554 -0.00092 -0.01624 0.03681 178 2PY -0.02887 0.00093 0.13550 0.00572 -0.05939 179 2PZ 0.01773 -0.01624 -0.00572 0.00701 0.07067 180 3S 0.02675 0.03681 0.05939 0.07068 0.08394 181 3PX 0.01438 0.00626 -0.00134 -0.00568 0.02856 182 3PY -0.01240 0.00193 0.10448 0.01083 -0.02903 183 3PZ 0.02058 -0.00998 -0.00173 0.01670 0.05949 184 4XX -0.00032 -0.00140 0.00226 -0.00269 -0.00148 185 4YY -0.00120 0.00051 -0.00223 0.00072 -0.00513 186 4ZZ 0.00068 -0.00158 0.00197 -0.00342 0.00135 187 4XY 0.00193 0.00037 -0.00332 -0.00069 0.00244 188 4XZ -0.00068 -0.00132 0.00299 -0.00072 -0.00058 189 4YZ 0.00177 -0.00019 -0.00195 0.00060 0.00257 166 167 168 169 170 166 3PX 0.26575 167 3PY 0.03230 0.26979 168 3PZ -0.13779 0.03454 0.30855 169 4XX -0.00784 0.00286 0.00301 0.00104 170 4YY 0.00029 -0.02560 -0.00326 -0.00033 0.00294 171 4ZZ 0.00401 0.00371 -0.00473 0.00002 -0.00023 172 4XY -0.01726 -0.00593 0.00506 0.00037 0.00030 173 4XZ -0.00077 -0.00087 -0.00424 0.00009 -0.00005 174 4YZ 0.00508 -0.00252 -0.01812 -0.00023 0.00015 175 23 O 1S -0.00662 -0.00453 -0.01027 0.00031 0.00035 176 2S 0.01438 0.01240 0.02058 -0.00032 -0.00120 177 2PX 0.00626 -0.00193 -0.00998 -0.00140 0.00051 178 2PY 0.00134 0.10448 0.00173 -0.00226 0.00223 179 2PZ -0.00568 -0.01083 0.01670 -0.00269 0.00072 180 3S 0.02856 0.02903 0.05949 -0.00148 -0.00513 181 3PX 0.00661 -0.00116 -0.00631 -0.00031 -0.00009 182 3PY 0.00116 0.07828 0.00617 -0.00118 0.00014 183 3PZ -0.00631 -0.00617 0.02059 -0.00184 -0.00021 184 4XX -0.00031 0.00118 -0.00184 0.00050 -0.00026 185 4YY -0.00009 -0.00014 -0.00021 -0.00026 0.00085 186 4ZZ -0.00074 0.00093 -0.00229 -0.00004 -0.00029 187 4XY -0.00007 -0.00244 -0.00041 0.00010 0.00011 188 4XZ -0.00070 0.00179 -0.00023 0.00005 -0.00015 189 4YZ 0.00036 -0.00155 0.00015 0.00000 0.00014 171 172 173 174 175 171 4ZZ 0.00079 172 4XY -0.00034 0.00161 173 4XZ 0.00011 0.00008 0.00045 174 4YZ 0.00019 0.00006 0.00028 0.00151 175 23 O 1S -0.00024 0.00079 0.00022 0.00075 2.07557 176 2S 0.00068 -0.00193 -0.00068 -0.00177 -0.17799 177 2PX -0.00158 -0.00037 -0.00132 0.00019 -0.01250 178 2PY -0.00197 -0.00332 -0.00299 -0.00195 0.03973 179 2PZ -0.00342 0.00069 -0.00072 -0.00060 -0.00479 180 3S 0.00135 -0.00244 -0.00058 -0.00257 -0.24523 181 3PX -0.00074 0.00007 -0.00070 -0.00036 -0.00937 182 3PY -0.00093 -0.00244 -0.00179 -0.00155 0.02573 183 3PZ -0.00229 0.00041 -0.00023 -0.00015 -0.00454 184 4XX -0.00004 -0.00010 0.00005 0.00000 -0.01520 185 4YY -0.00029 -0.00011 -0.00015 -0.00014 -0.01267 186 4ZZ 0.00025 0.00002 0.00008 0.00004 -0.01397 187 4XY -0.00002 -0.00029 0.00001 -0.00012 -0.00150 188 4XZ 0.00008 -0.00001 0.00004 0.00002 -0.00372 189 4YZ -0.00004 -0.00012 -0.00002 -0.00034 -0.00139 176 177 178 179 180 176 2S 0.50359 177 2PX 0.02848 0.64787 178 2PY -0.07465 -0.02591 0.66558 179 2PZ 0.00378 -0.13784 -0.04097 0.71656 180 3S 0.59251 0.04937 -0.21999 0.05282 0.75619 181 3PX 0.02092 0.40595 -0.03492 -0.15871 0.03226 182 3PY -0.04921 -0.03540 0.42233 -0.03763 -0.14005 183 3PZ 0.00465 -0.14600 -0.04614 0.46287 0.04142 184 4XX -0.00285 -0.01348 -0.00530 0.00322 -0.00420 185 4YY -0.00833 0.00249 0.04105 -0.00244 -0.01835 186 4ZZ -0.00548 0.00533 -0.00589 -0.00733 -0.00646 187 4XY 0.00344 0.02796 -0.00807 -0.00450 0.00490 188 4XZ 0.00792 -0.00237 0.00090 -0.00742 0.00741 189 4YZ 0.00292 -0.00402 -0.00308 0.02923 0.00413 181 182 183 184 185 181 3PX 0.26575 182 3PY -0.03229 0.26980 183 3PZ -0.13780 -0.03454 0.30855 184 4XX -0.00784 -0.00286 0.00301 0.00104 185 4YY 0.00029 0.02560 -0.00326 -0.00033 0.00294 186 4ZZ 0.00401 -0.00371 -0.00473 0.00002 -0.00023 187 4XY 0.01726 -0.00593 -0.00506 -0.00037 -0.00030 188 4XZ -0.00077 0.00087 -0.00424 0.00009 -0.00005 189 4YZ -0.00508 -0.00252 0.01812 0.00023 -0.00015 186 187 188 189 186 4ZZ 0.00079 187 4XY 0.00034 0.00161 188 4XZ 0.00011 -0.00008 0.00045 189 4YZ -0.00019 0.00006 -0.00028 0.00151 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05499 2 2S -0.01343 0.32633 3 2PX 0.00000 0.00000 0.35438 4 2PY 0.00000 0.00000 0.00000 0.41151 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 6 3S -0.03645 0.23613 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11189 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 0.09697 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 -0.00519 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 0.09692 0.00070 17 2S -0.00121 0.01238 0.00024 0.06456 0.00049 18 3 C 1S 0.00000 -0.00054 -0.00132 -0.00067 -0.00092 19 2S -0.00058 0.01134 0.02021 0.00937 0.01358 20 2PX -0.00143 0.02093 -0.00057 0.01826 0.03417 21 2PY -0.00062 0.00935 0.01791 -0.00036 0.00933 22 2PZ -0.00090 0.01263 0.03914 0.00746 0.00059 23 3S 0.00070 0.00574 0.00750 0.01238 0.00722 24 3PX -0.00061 0.01223 0.00366 0.00805 0.01436 25 3PY -0.00036 0.00249 0.01210 0.00131 0.00369 26 3PZ 0.00035 0.00196 0.01594 0.00065 0.00348 27 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 28 4YY 0.00001 -0.00046 -0.00034 -0.00027 -0.00033 29 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 30 4XY -0.00008 0.00083 0.00020 -0.00002 0.00121 31 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 32 4YZ -0.00007 0.00068 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 -0.00550 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 -0.00041 -0.00006 -0.00025 42 3PY 0.00010 -0.00274 0.00143 -0.00579 -0.00045 43 3PZ -0.00004 -0.00007 0.00025 0.00006 -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 -0.00019 -0.00012 -0.00024 -0.00095 70 2S -0.00020 0.00510 0.00225 0.00423 0.01884 71 2PX -0.00009 0.00176 0.00002 0.00094 0.00648 72 2PY -0.00019 0.00371 0.00070 -0.00061 0.01257 73 2PZ -0.00117 0.02398 0.00789 0.01390 0.04484 74 3S 0.00013 0.00692 0.00563 0.00982 0.01744 75 3PX -0.00008 0.00179 0.00000 0.00068 0.00364 76 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 77 3PZ -0.00127 0.01980 0.00424 0.00822 0.01549 78 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 79 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 80 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 81 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 82 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 83 4YZ -0.00005 0.00082 0.00023 0.00005 0.00129 84 10 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 85 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 86 11 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 87 2S 0.00020 -0.00288 -0.00584 -0.00011 -0.00246 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 90 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 91 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 92 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 93 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 94 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 95 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 96 3PZ 0.00000 -0.00047 -0.00018 -0.00024 -0.00028 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00001 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 0.00000 0.00000 102 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00001 0.00010 0.00023 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00009 0.00011 0.00015 0.00006 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 0.00000 0.00002 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 124 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 125 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 126 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 127 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 128 3PX 0.00003 -0.00039 0.00813 0.00149 0.00512 129 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 130 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 131 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 143 3PX 0.00001 -0.00047 -0.00029 -0.00024 -0.00025 144 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 145 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 155 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00003 0.00003 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 181 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 182 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 183 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.30063 7 3PX 0.00000 0.12488 8 3PY 0.00000 0.00000 0.05321 9 3PZ 0.00000 0.00000 0.00000 0.09657 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 0.00017 -0.00103 17 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 18 3 C 1S -0.00055 -0.00102 -0.00059 -0.00032 -0.00004 19 2S 0.01143 0.01276 0.00675 0.00387 0.00057 20 2PX 0.02145 0.00242 0.00702 0.01528 -0.00099 21 2PY 0.00590 0.00816 -0.00073 0.00376 0.00080 22 2PZ 0.01306 0.02060 0.00274 0.00258 0.00133 23 3S -0.01475 -0.00312 0.00540 0.00231 0.00123 24 3PX 0.01146 0.01823 0.00359 0.01266 -0.00161 25 3PY 0.00031 0.01057 0.00090 -0.00004 0.00080 26 3PZ 0.00069 0.01516 -0.00047 0.01139 0.00174 27 4XX 0.00113 -0.00122 0.00038 0.00142 -0.00002 28 4YY -0.00076 0.00008 -0.00056 -0.00054 -0.00003 29 4ZZ -0.00044 0.00087 -0.00013 -0.00080 0.00002 30 4XY 0.00045 0.00000 0.00002 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 -0.01508 -0.01064 -0.00027 -0.00394 0.00015 35 5 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 36 2S -0.00122 -0.00090 -0.00155 -0.00048 0.00000 37 2PX -0.00102 -0.00004 -0.00010 -0.00104 -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 -0.00292 0.00027 -0.00242 -0.00013 42 3PY -0.00347 0.00394 -0.00164 -0.00328 -0.00004 43 3PZ -0.00043 -0.00051 -0.00011 -0.00241 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 -0.00138 0.00000 0.00001 58 3PX 0.00000 -0.00749 0.00000 0.00000 0.00000 59 3PY -0.00138 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 -0.00008 -0.00013 -0.00030 -0.00056 0.00000 70 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 71 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 72 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 73 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 74 3S 0.00013 0.00757 0.00649 -0.00033 -0.00076 75 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 76 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 77 3PZ 0.01207 0.00263 0.00065 0.00191 -0.00046 78 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 79 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 80 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 81 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 82 4XZ 0.00013 0.00054 0.00001 0.00015 0.00000 83 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 84 10 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 85 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 86 11 H 1S -0.00230 -0.00206 0.00009 0.00032 0.00003 87 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 88 12 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 89 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 90 2PX -0.00011 -0.00005 0.00000 0.00006 0.00000 91 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 92 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 93 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 94 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 95 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 96 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 97 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 98 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 99 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 100 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 101 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 102 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 103 13 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 104 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 105 14 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 106 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 110 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 113 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 114 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 115 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 116 4XX -0.00001 -0.00001 -0.00001 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 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 123 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 124 2PX 0.00061 0.00777 0.00085 0.00475 0.00009 125 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 126 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 127 3S 0.00126 0.00244 0.00172 0.00107 0.00037 128 3PX 0.00341 0.01262 0.00220 0.01182 0.00046 129 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 130 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 131 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 132 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 133 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 134 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 135 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 138 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 139 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 140 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 141 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 142 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 143 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 144 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 145 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 146 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 147 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 148 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 149 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 150 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 151 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 154 19 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 155 2S -0.00383 -0.00490 -0.00003 -0.00395 0.00006 156 20 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 157 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 158 21 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 159 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 162 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 166 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 167 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 168 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 177 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 178 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 179 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 180 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 181 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 182 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 183 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 184 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 185 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 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 0.00065 20 2PX -0.00024 0.00034 0.00030 0.00034 0.00116 21 2PY -0.00025 0.00013 -0.00003 0.00095 -0.00001 22 2PZ -0.00019 -0.00071 0.00116 0.00003 0.00009 23 3S -0.00158 0.00062 0.00021 0.00039 0.00020 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 0.00001 -0.00008 0.00000 -0.00002 -0.00004 70 2S -0.00028 0.00173 0.00008 0.00027 0.00071 71 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 72 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 73 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 74 3S -0.00147 0.00324 0.00007 0.00015 0.00037 75 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 76 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 77 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 78 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 79 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 80 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 81 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 82 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 83 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 85 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 86 11 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 87 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00000 0.00000 0.00001 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 94 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 95 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 96 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 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 -0.00002 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 0.00000 124 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 128 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 129 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 130 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 143 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 144 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 145 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00002 0.00003 0.00000 0.00002 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 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 0.32496 20 2PX -0.00019 -0.00255 0.00000 0.00000 0.36896 21 2PY -0.00047 -0.00651 0.00000 0.00000 0.00000 22 2PZ -0.00007 -0.00039 0.00000 0.00000 0.00000 23 3S -0.00450 -0.01535 -0.02961 0.20116 0.00000 24 3PX -0.00158 -0.00582 0.00000 0.00000 0.10336 25 3PY -0.00036 -0.00203 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 -0.00672 0.00000 28 4YY 0.00009 0.00097 -0.00134 -0.00219 0.00000 29 4ZZ -0.00001 -0.00025 -0.00127 -0.00380 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 0.00008 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00105 -0.00198 0.03084 0.02436 34 2S -0.00104 -0.00589 -0.00120 0.01190 0.01601 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 0.00018 0.00000 0.00000 0.01911 42 3PY 0.00033 0.00392 -0.00172 0.02369 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 0.00361 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 0.00016 0.00000 0.00000 0.00000 70 2S -0.00013 -0.00247 0.00000 -0.00004 -0.00005 71 2PX -0.00001 -0.00020 0.00000 -0.00007 0.00000 72 2PY -0.00028 -0.00446 0.00000 0.00000 0.00000 73 2PZ -0.00025 -0.00431 0.00000 -0.00017 -0.00033 74 3S -0.00400 -0.01623 0.00004 -0.00076 0.00005 75 3PX -0.00014 -0.00051 0.00004 -0.00064 0.00002 76 3PY -0.00097 -0.00527 0.00000 0.00004 0.00002 77 3PZ -0.00282 -0.00972 0.00012 -0.00216 -0.00313 78 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 79 4YY 0.00004 0.00065 0.00000 0.00000 0.00000 80 4ZZ -0.00001 -0.00038 0.00000 0.00000 0.00004 81 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 82 4XZ 0.00000 -0.00001 0.00000 0.00001 -0.00001 83 4YZ 0.00004 0.00010 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 85 2S -0.00017 -0.00034 0.00000 -0.00006 0.00013 86 11 H 1S -0.00001 -0.00027 0.00000 0.00000 0.00000 87 2S -0.00039 -0.00001 0.00000 0.00015 -0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00006 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00029 0.00000 0.00000 -0.00002 92 2PZ 0.00000 0.00004 0.00000 -0.00001 0.00001 93 3S 0.00007 0.00130 0.00002 -0.00039 -0.00025 94 3PX 0.00000 0.00003 0.00000 -0.00005 0.00000 95 3PY 0.00023 0.00301 0.00001 -0.00022 -0.00053 96 3PZ 0.00000 0.00018 0.00002 -0.00032 0.00017 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 -0.00001 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00011 0.00000 0.00001 -0.00002 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 -0.00015 0.00000 0.00000 0.00001 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 -0.00001 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 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00009 0.00000 0.00000 -0.00002 124 2PX -0.00001 -0.00061 0.00000 -0.00002 -0.00008 125 2PY -0.00001 -0.00045 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00017 0.00000 0.00000 0.00000 127 3S -0.00055 -0.00323 0.00001 -0.00022 -0.00141 128 3PX -0.00060 -0.00284 0.00004 -0.00065 -0.00046 129 3PY 0.00020 0.00072 0.00000 0.00000 -0.00001 130 3PZ -0.00018 -0.00110 0.00000 -0.00006 -0.00019 131 4XX 0.00000 -0.00002 0.00000 0.00000 0.00001 132 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00001 0.00000 0.00000 -0.00003 140 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00001 0.00040 0.00000 -0.00005 -0.00055 143 3PX -0.00001 0.00008 0.00000 -0.00017 -0.00188 144 3PY 0.00003 0.00046 0.00000 -0.00002 0.00051 145 3PZ 0.00000 0.00007 0.00000 0.00000 -0.00014 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 -0.00011 0.00000 0.00000 -0.00001 155 2S -0.00011 -0.00016 0.00000 -0.00003 -0.00048 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00003 0.00000 0.00000 0.00011 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00002 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00026 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00011 0.00000 0.00000 0.00001 182 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 184 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.41335 22 2PZ 0.00000 0.39023 23 3S 0.00000 0.00000 0.25010 24 3PX 0.00000 0.00000 0.00000 0.12000 25 3PY 0.07887 0.00000 0.00000 0.00000 0.06237 26 3PZ 0.00000 0.09568 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00354 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00196 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00155 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 0.02406 0.04948 0.04347 0.00828 0.01001 34 2S 0.01556 0.03425 0.03825 0.00516 0.00740 35 5 C 1S -0.00258 0.00000 -0.00027 0.00000 -0.00172 36 2S 0.04008 0.00000 0.01148 0.00000 0.02369 37 2PX 0.00000 0.00000 0.00000 0.01911 0.00000 38 2PY 0.09681 0.00000 0.03098 0.00000 0.01764 39 2PZ 0.00000 0.00839 0.00000 0.00000 0.00000 40 3S 0.03098 0.00000 -0.00963 0.00000 0.00844 41 3PX 0.00000 0.00000 0.00000 0.02603 0.00000 42 3PY 0.01764 0.00000 0.00844 0.00000 0.00146 43 3PZ 0.00000 0.01655 0.00000 0.00000 0.00000 44 4XX -0.00106 0.00000 -0.00148 0.00000 -0.00163 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 -0.00839 -0.00152 -0.01699 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 0.00143 55 2PY -0.00053 -0.00005 -0.00557 -0.00006 -0.00579 56 2PZ -0.00010 0.00000 0.00025 -0.00025 -0.00045 57 3S -0.00147 -0.00108 -0.00157 -0.00090 -0.00347 58 3PX -0.00124 -0.00095 0.00466 -0.00292 0.00394 59 3PY 0.00064 -0.00066 -0.00670 0.00027 -0.00164 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 0.00002 0.00001 0.00000 70 2S 0.00000 -0.00015 -0.00042 0.00002 -0.00003 71 2PX 0.00000 -0.00022 -0.00082 0.00015 -0.00008 72 2PY 0.00000 0.00000 -0.00002 -0.00002 0.00019 73 2PZ 0.00000 -0.00022 -0.00011 -0.00079 -0.00014 74 3S 0.00002 -0.00378 0.00248 0.00384 -0.00019 75 3PX -0.00002 -0.00115 -0.00096 0.00004 -0.00014 76 3PY 0.00013 0.00009 0.00009 -0.00003 0.00105 77 3PZ 0.00004 -0.00217 0.00150 -0.00198 -0.00016 78 4XX 0.00000 0.00002 0.00006 -0.00008 0.00001 79 4YY 0.00000 0.00000 -0.00007 -0.00007 0.00000 80 4ZZ 0.00000 -0.00001 0.00005 0.00033 -0.00001 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 82 4XZ 0.00000 0.00008 0.00006 -0.00006 0.00001 83 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 84 10 H 1S 0.00000 -0.00001 -0.00011 0.00013 -0.00002 85 2S 0.00000 -0.00054 -0.00081 0.00059 -0.00011 86 11 H 1S 0.00000 0.00000 0.00005 -0.00005 0.00005 87 2S 0.00002 0.00041 0.00079 -0.00100 0.00047 88 12 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 89 2S 0.00000 -0.00001 -0.00036 0.00006 -0.00018 90 2PX 0.00000 -0.00001 -0.00014 0.00004 -0.00033 91 2PY 0.00001 0.00000 -0.00023 -0.00038 0.00008 92 2PZ -0.00002 -0.00002 -0.00137 -0.00006 -0.00076 93 3S -0.00036 -0.00016 -0.00468 -0.00148 -0.00260 94 3PX -0.00003 -0.00005 -0.00064 0.00000 -0.00082 95 3PY 0.00010 0.00006 -0.00149 -0.00158 0.00001 96 3PZ -0.00075 -0.00016 -0.00522 -0.00027 -0.00249 97 4XX 0.00000 0.00000 0.00004 0.00001 0.00003 98 4YY 0.00000 0.00000 0.00001 0.00001 0.00003 99 4ZZ 0.00000 0.00000 -0.00005 -0.00002 -0.00009 100 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00001 0.00001 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 103 13 H 1S 0.00000 0.00000 0.00004 0.00000 -0.00002 104 2S -0.00001 0.00010 0.00052 -0.00015 -0.00030 105 14 H 1S 0.00000 0.00000 0.00001 0.00001 0.00002 106 2S 0.00001 -0.00001 0.00036 0.00036 0.00040 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 0.00000 -0.00001 -0.00004 0.00000 113 3PX 0.00000 0.00000 0.00000 -0.00003 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 -0.00005 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 C 1S 0.00000 0.00000 0.00001 0.00006 0.00000 123 2S 0.00000 0.00000 -0.00029 -0.00144 0.00000 124 2PX 0.00000 0.00000 0.00030 -0.00169 0.00000 125 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 126 2PZ 0.00000 0.00000 -0.00001 -0.00008 0.00000 127 3S 0.00000 -0.00006 -0.00022 -0.00786 0.00001 128 3PX 0.00000 0.00001 0.00035 -0.00257 0.00001 129 3PY -0.00001 0.00000 0.00000 -0.00002 -0.00005 130 3PZ 0.00000 -0.00011 0.00006 -0.00044 0.00000 131 4XX 0.00000 0.00000 -0.00004 0.00027 0.00000 132 4YY 0.00000 0.00000 0.00001 -0.00003 0.00000 133 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 135 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 138 2S 0.00000 0.00000 0.00003 -0.00038 -0.00004 139 2PX 0.00000 0.00000 -0.00037 -0.00238 -0.00037 140 2PY 0.00000 0.00000 0.00000 0.00019 -0.00001 141 2PZ 0.00000 0.00000 -0.00002 -0.00018 -0.00002 142 3S -0.00007 -0.00003 -0.00076 -0.00413 -0.00081 143 3PX -0.00021 -0.00012 -0.00191 -0.00957 -0.00165 144 3PY 0.00001 0.00004 -0.00001 0.00282 0.00000 145 3PZ -0.00002 0.00020 -0.00021 -0.00096 -0.00014 146 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 147 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00003 0.00000 149 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 150 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00001 0.00000 154 19 H 1S 0.00000 0.00000 -0.00008 -0.00081 0.00003 155 2S 0.00002 -0.00005 -0.00017 -0.00194 0.00021 156 20 H 1S 0.00000 0.00000 0.00002 0.00006 0.00002 157 2S 0.00000 0.00003 0.00017 0.00120 0.00023 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 -0.00001 -0.00005 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00002 0.00006 0.00001 166 3PX 0.00000 0.00000 0.00004 0.00032 0.00005 167 3PY 0.00000 0.00000 0.00001 0.00002 0.00000 168 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00024 0.00001 181 3PX 0.00000 0.00000 0.00008 0.00030 0.00004 182 3PY 0.00000 0.00000 -0.00002 -0.00003 0.00001 183 3PZ 0.00000 0.00000 -0.00003 -0.00005 0.00000 184 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PZ 0.09329 27 4XX 0.00000 0.00092 28 4YY 0.00000 -0.00008 0.00114 29 4ZZ 0.00000 0.00007 -0.00006 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 0.02192 -0.00039 -0.00082 0.00160 0.00114 34 2S 0.02134 0.00026 -0.00135 0.00254 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 0.00000 -0.00106 0.00223 -0.00112 0.00000 39 2PZ 0.01655 0.00000 0.00000 0.00000 0.00000 40 3S 0.00000 -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 0.02467 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 -0.00033 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 0.00012 0.00000 0.00000 0.00000 0.00000 70 2S -0.00177 0.00000 0.00000 0.00001 0.00000 71 2PX -0.00219 0.00000 0.00000 0.00002 0.00000 72 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00070 0.00001 0.00000 0.00006 0.00000 74 3S -0.00950 0.00010 -0.00012 0.00019 0.00000 75 3PX -0.00300 0.00000 -0.00003 0.00015 0.00000 76 3PY 0.00013 0.00000 0.00000 -0.00001 -0.00003 77 3PZ 0.00127 0.00004 -0.00015 0.00050 -0.00001 78 4XX 0.00026 0.00000 0.00000 0.00000 0.00000 79 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 80 4ZZ -0.00022 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00029 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S -0.00096 0.00000 0.00000 0.00000 0.00000 85 2S -0.00406 0.00002 0.00000 -0.00004 0.00000 86 11 H 1S 0.00015 0.00000 0.00000 0.00000 0.00000 87 2S 0.00247 -0.00001 0.00000 -0.00001 0.00000 88 12 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 89 2S -0.00042 0.00000 0.00000 0.00000 0.00000 90 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00010 0.00000 0.00000 0.00000 0.00000 92 2PZ -0.00117 0.00000 0.00000 0.00000 0.00000 93 3S -0.00056 -0.00002 0.00003 0.00003 0.00000 94 3PX 0.00000 -0.00001 0.00000 0.00001 0.00000 95 3PY 0.00079 -0.00003 0.00004 -0.00002 0.00000 96 3PZ -0.00211 0.00001 -0.00002 0.00003 -0.00003 97 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 98 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 100 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 101 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00010 0.00000 0.00000 0.00000 0.00000 104 2S 0.00142 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00009 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00001 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00004 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00016 0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 127 3S -0.00039 0.00005 -0.00002 0.00000 0.00000 128 3PX -0.00020 0.00034 -0.00007 -0.00009 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 130 3PZ 0.00051 0.00003 0.00000 0.00000 0.00000 131 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00003 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00012 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00015 0.00000 0.00000 0.00000 0.00000 142 3S -0.00023 0.00000 0.00000 0.00000 -0.00001 143 3PX -0.00061 0.00000 -0.00001 0.00000 0.00001 144 3PY 0.00017 0.00000 0.00001 0.00000 0.00000 145 3PZ 0.00122 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S -0.00026 0.00000 0.00000 0.00000 0.00000 155 2S -0.00063 -0.00004 0.00000 0.00002 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00028 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00001 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 168 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S -0.00003 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00002 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 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 0.17164 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 -0.00152 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 0.00084 0.00019 -0.00033 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 -0.00059 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 -0.00011 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 0.00001 0.00000 0.00000 0.00008 0.00000 71 2PX 0.00001 0.00000 0.00000 0.00009 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 73 2PZ 0.00005 0.00000 0.00000 0.00033 0.00000 74 3S 0.00008 -0.00001 0.00008 0.00142 0.00002 75 3PX 0.00001 0.00000 0.00002 0.00048 0.00000 76 3PY 0.00000 -0.00001 0.00001 0.00015 0.00001 77 3PZ 0.00018 0.00000 0.00020 0.00283 0.00002 78 4XX 0.00000 0.00000 0.00000 -0.00001 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 -0.00001 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 -0.00001 -0.00001 0.00000 -0.00005 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 -0.00019 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 -0.00001 -0.00004 0.00000 -0.00001 0.00004 94 3PX 0.00000 -0.00001 0.00000 -0.00005 0.00004 95 3PY -0.00002 0.00001 0.00000 -0.00001 0.00000 96 3PZ 0.00000 -0.00001 0.00000 -0.00008 0.00012 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 0.00002 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00009 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 3S 0.00000 0.00000 0.00001 0.00027 0.00000 128 3PX 0.00000 0.00000 0.00001 0.00048 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 130 3PZ 0.00000 0.00000 -0.00002 -0.00021 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 -0.00007 0.00001 143 3PX 0.00000 0.00000 0.00000 -0.00003 0.00004 144 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00004 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00027 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00002 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.32496 37 2PX 0.00000 0.36896 38 2PY 0.00000 0.00000 0.41335 39 2PZ 0.00000 0.00000 0.00000 0.39023 40 3S 0.20116 0.00000 0.00000 0.00000 0.25011 41 3PX 0.00000 0.10336 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 0.09568 0.00000 44 4XX -0.00672 0.00000 0.00000 0.00000 -0.00354 45 4YY -0.00219 0.00000 0.00000 0.00000 -0.00196 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 0.02436 0.02406 0.04947 0.04347 51 2S 0.01190 0.01601 0.01556 0.03425 0.03825 52 7 C 1S -0.00058 -0.00143 -0.00062 -0.00090 0.00070 53 2S 0.01134 0.02093 0.00935 0.01263 0.00574 54 2PX 0.02021 -0.00057 0.01791 0.03915 0.00750 55 2PY 0.00936 0.01826 -0.00036 0.00745 0.01237 56 2PZ 0.01358 0.03417 0.00933 0.00059 0.00722 57 3S 0.01143 0.02145 0.00590 0.01306 -0.01475 58 3PX 0.01276 0.00242 0.00816 0.02060 -0.00312 59 3PY 0.00675 0.00702 -0.00073 0.00274 0.00540 60 3PZ 0.00387 0.01528 0.00376 0.00258 0.00231 61 4XX 0.00057 -0.00099 0.00080 0.00133 0.00123 62 4YY -0.00045 -0.00024 -0.00025 -0.00019 -0.00158 63 4ZZ -0.00019 0.00034 0.00013 -0.00071 0.00062 64 4XY 0.00083 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 -0.00255 -0.00651 -0.00039 -0.01535 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 70 2S 0.00000 0.00000 0.00000 -0.00001 -0.00036 71 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00014 72 2PY 0.00000 -0.00002 0.00001 0.00000 -0.00023 73 2PZ -0.00001 0.00001 -0.00002 -0.00002 -0.00137 74 3S -0.00039 -0.00025 -0.00036 -0.00016 -0.00468 75 3PX -0.00005 0.00000 -0.00003 -0.00005 -0.00064 76 3PY -0.00022 -0.00053 0.00010 0.00006 -0.00149 77 3PZ -0.00032 0.00017 -0.00075 -0.00016 -0.00522 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00004 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 80 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00005 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00004 85 2S 0.00001 -0.00002 -0.00001 0.00010 0.00052 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 87 2S 0.00000 0.00001 0.00001 -0.00001 0.00036 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 89 2S -0.00004 -0.00005 0.00000 -0.00015 -0.00042 90 2PX -0.00007 0.00000 0.00000 -0.00022 -0.00082 91 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 92 2PZ -0.00017 -0.00033 0.00000 -0.00022 -0.00011 93 3S -0.00076 0.00005 0.00002 -0.00379 0.00248 94 3PX -0.00064 0.00002 -0.00002 -0.00115 -0.00096 95 3PY 0.00004 0.00002 0.00013 0.00009 0.00009 96 3PZ -0.00216 -0.00313 0.00004 -0.00217 0.00150 97 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 98 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 99 4ZZ 0.00000 0.00004 0.00000 -0.00001 0.00005 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00001 -0.00001 0.00000 0.00008 0.00006 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00011 104 2S -0.00006 0.00013 0.00000 -0.00054 -0.00081 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 106 2S 0.00015 -0.00001 0.00002 0.00041 0.00079 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 0.00000 0.00000 0.00000 -0.00001 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00003 124 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00037 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 127 3S -0.00005 -0.00055 -0.00007 -0.00003 -0.00076 128 3PX -0.00017 -0.00188 -0.00021 -0.00012 -0.00191 129 3PY -0.00002 0.00051 0.00001 0.00004 -0.00001 130 3PZ 0.00000 -0.00014 -0.00002 0.00020 -0.00021 131 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 138 2S 0.00000 -0.00002 0.00000 0.00000 -0.00029 139 2PX -0.00002 -0.00008 0.00000 0.00000 0.00030 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 3S -0.00022 -0.00141 0.00000 -0.00006 -0.00022 143 3PX -0.00065 -0.00046 0.00000 0.00001 0.00035 144 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 145 3PZ -0.00006 -0.00019 0.00000 -0.00011 0.00006 146 4XX 0.00000 0.00001 0.00000 0.00000 -0.00004 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 155 2S 0.00000 0.00011 0.00000 0.00003 0.00017 156 20 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00008 157 2S -0.00003 -0.00048 0.00002 -0.00005 -0.00017 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00001 0.00000 0.00000 0.00008 167 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 168 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00002 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 3PX 0.12000 42 3PY 0.00000 0.06237 43 3PZ 0.00000 0.00000 0.09329 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 0.00828 0.01001 0.02191 -0.00039 -0.00082 51 2S 0.00516 0.00740 0.02134 0.00026 -0.00135 52 7 C 1S -0.00061 -0.00036 0.00035 -0.00003 0.00001 53 2S 0.01224 0.00249 0.00196 0.00050 -0.00046 54 2PX 0.00366 0.01210 0.01594 -0.00076 -0.00034 55 2PY 0.00805 0.00131 0.00065 0.00066 -0.00027 56 2PZ 0.01436 0.00369 0.00348 0.00099 -0.00033 57 3S 0.01146 0.00031 0.00069 0.00113 -0.00076 58 3PX 0.01823 0.01057 0.01516 -0.00122 0.00008 59 3PY 0.00359 0.00090 -0.00047 0.00038 -0.00056 60 3PZ 0.01266 -0.00004 0.01139 0.00142 -0.00054 61 4XX -0.00161 0.00080 0.00174 -0.00002 -0.00003 62 4YY -0.00022 -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 -0.00158 -0.00036 -0.00043 -0.00001 0.00009 68 2S -0.00582 -0.00203 -0.00017 -0.00025 0.00097 69 9 C 1S 0.00000 0.00001 0.00001 0.00000 0.00000 70 2S 0.00006 -0.00018 -0.00042 0.00000 0.00000 71 2PX 0.00004 -0.00033 -0.00003 0.00000 0.00000 72 2PY -0.00038 0.00008 0.00010 0.00000 0.00000 73 2PZ -0.00006 -0.00076 -0.00117 0.00000 0.00000 74 3S -0.00148 -0.00260 -0.00056 -0.00002 0.00003 75 3PX 0.00000 -0.00082 0.00000 -0.00001 0.00000 76 3PY -0.00158 0.00001 0.00079 -0.00003 0.00004 77 3PZ -0.00027 -0.00249 -0.00211 0.00001 -0.00002 78 4XX 0.00001 0.00003 0.00004 0.00000 0.00000 79 4YY 0.00001 0.00003 -0.00005 0.00000 0.00000 80 4ZZ -0.00002 -0.00009 0.00001 0.00000 0.00000 81 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 82 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00000 83 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 84 10 H 1S 0.00000 -0.00002 0.00010 0.00000 0.00000 85 2S -0.00015 -0.00030 0.00142 0.00000 0.00000 86 11 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 87 2S 0.00036 0.00040 -0.00009 0.00000 0.00000 88 12 C 1S 0.00001 0.00000 0.00012 0.00000 0.00000 89 2S 0.00002 -0.00003 -0.00177 0.00000 0.00000 90 2PX 0.00015 -0.00008 -0.00219 0.00000 0.00000 91 2PY -0.00002 0.00019 0.00001 0.00000 0.00000 92 2PZ -0.00079 -0.00014 0.00070 0.00001 0.00000 93 3S 0.00384 -0.00019 -0.00950 0.00010 -0.00012 94 3PX 0.00004 -0.00014 -0.00300 0.00000 -0.00003 95 3PY -0.00003 0.00105 0.00013 0.00000 0.00000 96 3PZ -0.00198 -0.00016 0.00127 0.00004 -0.00015 97 4XX -0.00008 0.00001 0.00026 0.00000 0.00000 98 4YY -0.00007 0.00000 -0.00002 0.00000 0.00000 99 4ZZ 0.00033 -0.00001 -0.00022 0.00000 0.00000 100 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 101 4XZ -0.00006 0.00001 0.00029 0.00000 0.00000 102 4YZ 0.00000 -0.00005 0.00000 0.00000 0.00000 103 13 H 1S 0.00013 -0.00002 -0.00097 0.00000 0.00000 104 2S 0.00059 -0.00011 -0.00406 0.00002 0.00000 105 14 H 1S -0.00005 0.00005 0.00015 0.00000 0.00000 106 2S -0.00100 0.00047 0.00247 -0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX -0.00003 0.00000 0.00001 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00005 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 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 123 2S -0.00038 -0.00004 -0.00003 0.00000 0.00000 124 2PX -0.00238 -0.00037 -0.00012 0.00000 0.00000 125 2PY 0.00019 -0.00001 0.00002 0.00000 0.00000 126 2PZ -0.00018 -0.00002 0.00015 0.00000 0.00000 127 3S -0.00413 -0.00081 -0.00023 0.00000 0.00000 128 3PX -0.00957 -0.00165 -0.00061 0.00000 -0.00001 129 3PY 0.00282 0.00000 0.00017 0.00000 0.00001 130 3PZ -0.00096 -0.00014 0.00122 0.00000 0.00000 131 4XX -0.00001 -0.00001 0.00000 0.00000 0.00000 132 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 134 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00006 0.00000 0.00000 0.00000 0.00000 138 2S -0.00144 0.00000 -0.00004 0.00000 0.00000 139 2PX -0.00169 0.00000 -0.00016 0.00001 0.00000 140 2PY -0.00001 -0.00003 0.00000 0.00000 0.00000 141 2PZ -0.00008 0.00000 0.00001 0.00000 0.00000 142 3S -0.00787 0.00001 -0.00039 0.00005 -0.00002 143 3PX -0.00258 0.00001 -0.00020 0.00034 -0.00007 144 3PY -0.00002 -0.00005 0.00000 0.00000 0.00000 145 3PZ -0.00044 0.00000 0.00051 0.00003 0.00000 146 4XX 0.00027 0.00000 0.00003 0.00000 0.00000 147 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 148 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 150 4XZ 0.00002 0.00000 -0.00001 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00006 0.00002 0.00000 0.00000 0.00000 155 2S 0.00120 0.00023 0.00028 0.00000 0.00000 156 20 H 1S -0.00081 0.00003 -0.00026 0.00000 0.00000 157 2S -0.00194 0.00021 -0.00063 -0.00004 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00005 0.00000 0.00001 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00024 0.00001 -0.00003 0.00000 0.00000 166 3PX 0.00030 0.00004 0.00002 0.00000 0.00000 167 3PY -0.00003 0.00001 0.00000 0.00000 0.00000 168 3PZ -0.00005 0.00000 0.00003 0.00000 0.00000 169 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00006 0.00001 0.00000 0.00000 0.00000 181 3PX 0.00032 0.00005 -0.00003 0.00000 0.00000 182 3PY 0.00002 0.00000 0.00001 0.00000 0.00000 183 3PZ -0.00004 0.00000 -0.00001 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 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 0.00160 0.00114 0.00172 0.00226 0.21693 51 2S 0.00254 0.00027 0.00030 0.00052 0.11783 52 7 C 1S 0.00000 -0.00008 -0.00009 -0.00007 0.00000 53 2S 0.00001 0.00083 0.00096 0.00068 -0.00020 54 2PX 0.00041 0.00020 0.00031 0.00124 -0.00035 55 2PY 0.00025 -0.00002 0.00105 -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 0.00000 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 0.00003 0.00000 -0.00001 -0.00004 0.00000 75 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 76 3PY -0.00002 0.00000 -0.00002 0.00001 0.00000 77 3PZ 0.00003 -0.00003 0.00000 -0.00001 0.00000 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 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00001 0.00000 0.00000 90 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00006 0.00000 0.00005 0.00000 0.00000 93 3S 0.00019 0.00000 0.00008 -0.00001 0.00008 94 3PX 0.00015 0.00000 0.00001 0.00000 0.00002 95 3PY -0.00001 -0.00003 0.00000 -0.00001 0.00001 96 3PZ 0.00050 -0.00001 0.00018 0.00000 0.00020 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 -0.00004 0.00000 -0.00001 -0.00001 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00001 143 3PX -0.00009 0.00000 0.00000 0.00000 0.00001 144 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00002 -0.00001 0.00000 0.00000 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 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 -0.00342 -0.01343 0.32633 54 2PX -0.00577 0.00000 0.00000 0.35438 55 2PY 0.00001 0.00000 0.00000 0.00000 0.41151 56 2PZ -0.00550 0.00000 0.00000 0.00000 0.00000 57 3S -0.01508 -0.03645 0.23613 0.00000 0.00000 58 3PX -0.01064 0.00000 0.00000 0.11189 0.00000 59 3PY -0.00027 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 0.00105 0.09692 68 2S -0.00589 -0.00121 0.01238 0.00024 0.06456 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 -0.00002 0.00000 -0.00008 71 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 72 2PY 0.00000 0.00000 -0.00011 0.00000 -0.00027 73 2PZ 0.00000 0.00000 -0.00004 0.00000 -0.00004 74 3S -0.00001 0.00000 -0.00058 -0.00039 -0.00336 75 3PX -0.00005 0.00000 -0.00008 0.00020 -0.00018 76 3PY -0.00001 0.00009 -0.00203 -0.00020 -0.00450 77 3PZ -0.00008 0.00000 -0.00047 -0.00018 -0.00024 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 80 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00003 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00006 0.00001 0.00010 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00002 0.00000 0.00009 0.00011 0.00015 88 12 C 1S 0.00000 0.00000 -0.00019 -0.00012 -0.00024 89 2S 0.00008 -0.00020 0.00510 0.00225 0.00423 90 2PX 0.00009 -0.00009 0.00176 0.00002 0.00094 91 2PY 0.00001 -0.00019 0.00371 0.00070 -0.00061 92 2PZ 0.00033 -0.00117 0.02398 0.00789 0.01390 93 3S 0.00142 0.00013 0.00692 0.00563 0.00982 94 3PX 0.00047 -0.00008 0.00179 0.00000 0.00068 95 3PY 0.00015 -0.00024 0.00226 0.00058 0.00034 96 3PZ 0.00283 -0.00127 0.01980 0.00424 0.00822 97 4XX -0.00001 0.00000 -0.00030 0.00003 -0.00007 98 4YY 0.00000 0.00000 -0.00018 -0.00003 -0.00006 99 4ZZ 0.00000 -0.00007 0.00165 0.00057 0.00108 100 4XY 0.00000 0.00000 0.00007 0.00004 0.00000 101 4XZ -0.00001 -0.00002 0.00039 0.00047 0.00020 102 4YZ 0.00000 -0.00005 0.00082 0.00023 0.00005 103 13 H 1S 0.00000 0.00000 -0.00019 0.00001 -0.00001 104 2S -0.00005 0.00018 -0.00332 -0.00013 -0.00012 105 14 H 1S 0.00000 0.00000 -0.00015 -0.00026 0.00000 106 2S -0.00019 0.00020 -0.00288 -0.00584 -0.00011 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 0.00000 0.00000 0.00002 0.00000 113 3PX 0.00000 0.00000 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 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00001 0.00000 -0.00001 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00007 0.00000 -0.00020 -0.00015 -0.00051 128 3PX -0.00003 0.00001 -0.00047 -0.00029 -0.00024 129 3PY -0.00001 -0.00001 0.00003 -0.00009 -0.00035 130 3PZ 0.00004 0.00000 -0.00022 -0.00033 -0.00015 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00008 0.00013 0.00001 139 2PX 0.00009 0.00000 0.00003 0.00204 0.00028 140 2PY 0.00001 0.00000 -0.00002 0.00020 -0.00001 141 2PZ -0.00001 0.00000 0.00007 0.00111 0.00010 142 3S 0.00027 0.00016 -0.00065 0.00234 0.00090 143 3PX 0.00048 0.00003 -0.00039 0.00813 0.00149 144 3PY 0.00001 0.00000 -0.00033 0.00105 0.00026 145 3PZ -0.00021 0.00004 0.00025 0.00632 0.00056 146 4XX 0.00000 0.00000 0.00003 0.00012 0.00002 147 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00007 0.00001 151 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00002 0.00000 0.00002 0.00003 0.00003 156 20 H 1S 0.00000 0.00000 -0.00002 -0.00005 0.00000 157 2S 0.00027 0.00003 -0.00065 -0.00108 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00003 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 -0.00009 0.00000 166 3PX -0.00001 0.00000 -0.00011 -0.00099 -0.00002 167 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 168 3PZ 0.00000 0.00000 -0.00001 -0.00009 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 2PZ 0.38400 57 3S 0.00000 0.30064 58 3PX 0.00000 0.00000 0.12488 59 3PY 0.00000 0.00000 0.00000 0.05321 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 0.00070 0.04240 0.00025 0.04296 0.00017 68 2S 0.00049 0.02340 -0.00063 0.04178 -0.00010 69 9 C 1S 0.00000 0.00002 0.00001 0.00005 0.00001 70 2S -0.00005 -0.00040 -0.00009 -0.00095 -0.00046 71 2PX 0.00000 -0.00011 -0.00005 0.00000 0.00006 72 2PY -0.00017 -0.00123 -0.00020 -0.00108 -0.00158 73 2PZ -0.00006 0.00017 -0.00019 0.00178 -0.00044 74 3S 0.00006 -0.00142 -0.00184 -0.00547 0.00200 75 3PX 0.00002 -0.00033 0.00051 -0.00015 0.00022 76 3PY -0.00131 -0.00425 -0.00083 -0.00385 -0.00215 77 3PZ -0.00028 0.00049 -0.00062 0.00275 -0.00015 78 4XX 0.00000 0.00001 0.00001 -0.00005 0.00000 79 4YY 0.00000 0.00002 0.00003 0.00004 -0.00010 80 4ZZ 0.00000 -0.00002 -0.00004 0.00006 0.00006 81 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 82 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 83 4YZ 0.00002 0.00005 0.00002 0.00002 0.00007 84 10 H 1S 0.00000 -0.00001 0.00000 -0.00011 0.00024 85 2S 0.00023 0.00004 0.00006 -0.00014 0.00192 86 11 H 1S 0.00000 0.00004 0.00005 -0.00005 0.00002 87 2S 0.00006 0.00041 0.00088 -0.00025 -0.00009 88 12 C 1S -0.00095 -0.00008 -0.00013 -0.00030 -0.00056 89 2S 0.01884 0.00439 0.00143 0.00327 0.01093 90 2PX 0.00648 0.00232 0.00002 0.00013 0.00151 91 2PY 0.01257 0.00318 0.00032 -0.00170 0.00724 92 2PZ 0.04484 0.02221 0.00379 0.00268 0.01200 93 3S 0.01744 0.00013 0.00757 0.00649 -0.00033 94 3PX 0.00364 0.00180 -0.00074 -0.00003 0.00122 95 3PY 0.00760 0.00225 0.00009 -0.00189 0.00562 96 3PZ 0.01549 0.01207 0.00263 0.00065 0.00191 97 4XX -0.00038 -0.00096 -0.00026 0.00001 0.00003 98 4YY -0.00029 -0.00038 -0.00014 -0.00034 -0.00005 99 4ZZ 0.00023 0.00238 0.00065 0.00048 -0.00049 100 4XY 0.00021 0.00004 0.00006 0.00001 0.00003 101 4XZ 0.00058 0.00013 0.00054 0.00001 0.00015 102 4YZ 0.00129 0.00035 0.00005 0.00023 0.00018 103 13 H 1S -0.00045 -0.00122 -0.00012 0.00015 -0.00578 104 2S -0.00666 -0.00380 -0.00091 0.00030 -0.01806 105 14 H 1S -0.00029 -0.00230 -0.00206 0.00009 0.00032 106 2S -0.00246 -0.01153 -0.01242 -0.00013 0.00542 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00001 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00002 0.00001 0.00001 -0.00001 110 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00009 0.00016 0.00004 -0.00002 113 3PX 0.00000 0.00002 -0.00008 -0.00005 -0.00002 114 3PY 0.00000 -0.00005 -0.00006 0.00000 0.00000 115 3PZ 0.00000 0.00002 0.00004 0.00002 0.00010 116 4XX 0.00000 -0.00001 -0.00001 -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 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 123 2S 0.00000 -0.00008 -0.00017 -0.00005 -0.00007 124 2PX 0.00000 0.00018 -0.00033 0.00062 0.00000 125 2PY 0.00000 -0.00011 -0.00054 -0.00002 -0.00031 126 2PZ 0.00000 0.00003 -0.00033 0.00023 0.00000 127 3S 0.00013 -0.00008 -0.00065 -0.00001 0.00038 128 3PX -0.00025 0.00010 -0.00161 0.00159 -0.00078 129 3PY 0.00017 -0.00080 0.00022 -0.00060 -0.00008 130 3PZ 0.00000 0.00043 -0.00177 0.00093 -0.00006 131 4XX 0.00000 0.00001 -0.00002 0.00002 -0.00001 132 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 133 4ZZ 0.00000 -0.00001 0.00001 -0.00002 0.00000 134 4XY 0.00000 0.00001 0.00007 0.00002 0.00004 135 4XZ 0.00000 0.00000 -0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00001 0.00005 0.00001 0.00000 137 17 C 1S 0.00000 0.00004 0.00004 -0.00002 -0.00005 138 2S 0.00005 0.00014 -0.00038 0.00039 0.00064 139 2PX 0.00071 0.00061 0.00777 0.00085 0.00475 140 2PY 0.00004 0.00007 0.00087 -0.00007 0.00059 141 2PZ 0.00022 0.00128 0.00549 0.00059 0.00007 142 3S -0.00066 0.00126 0.00244 0.00172 0.00107 143 3PX 0.00512 0.00341 0.01262 0.00220 0.01182 144 3PY 0.00060 0.00015 0.00214 -0.00001 0.00151 145 3PZ 0.00003 0.00207 0.01154 0.00088 -0.00216 146 4XX 0.00006 0.00056 0.00070 0.00021 0.00048 147 4YY 0.00000 -0.00011 -0.00015 -0.00003 -0.00009 148 4ZZ -0.00001 -0.00023 -0.00026 -0.00012 -0.00012 149 4XY 0.00001 -0.00001 0.00006 0.00004 0.00003 150 4XZ 0.00001 0.00006 0.00018 0.00002 0.00001 151 4YZ 0.00000 0.00000 0.00007 0.00001 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00003 -0.00003 -0.00002 0.00000 154 19 H 1S 0.00000 0.00000 0.00004 -0.00001 0.00002 155 2S 0.00003 0.00009 0.00051 -0.00013 0.00041 156 20 H 1S -0.00004 -0.00059 -0.00157 0.00000 -0.00084 157 2S -0.00122 -0.00383 -0.00490 -0.00003 -0.00395 158 21 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 159 2S -0.00001 0.00037 0.00025 0.00025 -0.00019 160 22 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2S 0.00000 0.00004 0.00008 0.00001 -0.00002 162 2PX 0.00000 -0.00039 -0.00078 -0.00007 -0.00008 163 2PY 0.00000 -0.00002 0.00002 0.00001 0.00000 164 2PZ 0.00000 -0.00005 -0.00006 -0.00001 0.00011 165 3S 0.00001 0.00004 0.00079 0.00005 -0.00007 166 3PX -0.00003 -0.00341 -0.00509 -0.00042 -0.00053 167 3PY 0.00000 -0.00013 0.00011 0.00010 -0.00002 168 3PZ 0.00005 -0.00044 -0.00047 -0.00005 0.00119 169 4XX 0.00000 -0.00002 0.00010 0.00000 0.00001 170 4YY 0.00000 0.00002 -0.00003 0.00000 0.00000 171 4ZZ 0.00000 0.00000 -0.00005 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00001 -0.00001 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 177 2PX 0.00000 0.00000 0.00001 -0.00001 0.00000 178 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 -0.00007 -0.00005 -0.00008 -0.00001 181 3PX 0.00000 -0.00007 0.00013 -0.00022 0.00000 182 3PY 0.00000 -0.00007 0.00009 -0.00003 0.00000 183 3PZ 0.00000 -0.00001 0.00000 -0.00002 0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 4XX 0.00149 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 0.00684 -0.00308 0.00002 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00001 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00005 -0.00001 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00002 0.00026 -0.00011 0.00001 0.00000 75 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 76 3PY -0.00003 0.00058 -0.00029 0.00001 -0.00001 77 3PZ -0.00003 0.00000 0.00001 0.00000 0.00000 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 0.00001 -0.00002 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00001 0.00001 0.00000 0.00000 88 12 C 1S 0.00000 0.00001 -0.00008 0.00000 -0.00002 89 2S -0.00025 -0.00028 0.00173 0.00008 0.00027 90 2PX 0.00003 -0.00004 0.00057 0.00002 0.00055 91 2PY -0.00003 -0.00005 0.00113 0.00000 0.00016 92 2PZ -0.00056 -0.00047 -0.00015 0.00023 0.00036 93 3S -0.00076 -0.00147 0.00324 0.00007 0.00015 94 3PX -0.00020 -0.00007 0.00038 0.00002 0.00045 95 3PY -0.00013 -0.00035 0.00081 0.00000 0.00003 96 3PZ -0.00046 -0.00095 0.00011 0.00007 0.00003 97 4XX 0.00002 -0.00001 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00002 -0.00008 0.00000 -0.00001 99 4ZZ -0.00005 -0.00006 0.00007 0.00000 -0.00001 100 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 101 4XZ 0.00000 -0.00001 -0.00007 0.00001 -0.00005 102 4YZ -0.00002 0.00000 -0.00007 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00014 0.00000 0.00002 104 2S -0.00007 -0.00012 0.00070 0.00000 0.00008 105 14 H 1S 0.00003 0.00000 0.00001 0.00000 0.00008 106 2S 0.00057 -0.00014 -0.00023 -0.00001 0.00030 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00002 -0.00002 0.00000 0.00001 128 3PX 0.00010 -0.00002 -0.00004 0.00002 0.00001 129 3PY -0.00008 0.00003 0.00001 0.00000 -0.00001 130 3PZ 0.00007 -0.00001 -0.00002 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00003 0.00000 0.00000 0.00000 0.00002 139 2PX 0.00009 -0.00001 0.00000 0.00003 0.00009 140 2PY 0.00003 0.00000 0.00000 0.00000 0.00002 141 2PZ 0.00004 0.00000 0.00000 0.00001 0.00001 142 3S 0.00037 -0.00017 -0.00001 0.00003 0.00009 143 3PX 0.00046 -0.00022 0.00002 0.00005 0.00022 144 3PY 0.00013 0.00000 -0.00004 0.00000 0.00006 145 3PZ 0.00026 -0.00007 -0.00001 0.00005 0.00001 146 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00006 -0.00002 0.00003 0.00000 0.00002 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00001 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00003 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 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 0.00000 0.00000 0.00000 2.05092 70 2S 0.00001 0.00000 0.00006 -0.01170 0.30682 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00005 0.00000 0.00029 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00004 0.00000 0.00000 74 3S 0.00006 0.00007 0.00130 -0.03425 0.22724 75 3PX 0.00000 0.00000 0.00003 0.00000 0.00000 76 3PY 0.00017 0.00023 0.00301 0.00000 0.00000 77 3PZ 0.00001 0.00000 0.00018 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00141 0.00014 79 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00365 80 4ZZ 0.00000 0.00000 0.00000 -0.00129 -0.00249 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 -0.00001 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.00166 0.02734 85 2S -0.00001 0.00000 -0.00011 -0.00064 0.00994 86 11 H 1S 0.00000 0.00000 0.00000 -0.00170 0.02785 87 2S 0.00000 0.00000 -0.00015 -0.00043 0.00951 88 12 C 1S -0.00004 0.00000 0.00016 0.00000 -0.00013 89 2S 0.00071 -0.00013 -0.00247 -0.00013 0.00349 90 2PX 0.00018 -0.00001 -0.00020 0.00000 0.00000 91 2PY 0.00007 -0.00028 -0.00446 -0.00105 0.02291 92 2PZ 0.00127 -0.00025 -0.00431 0.00000 0.00000 93 3S 0.00037 -0.00400 -0.01623 0.00028 0.00260 94 3PX 0.00004 -0.00014 -0.00051 0.00000 0.00000 95 3PY 0.00015 -0.00097 -0.00527 -0.00147 0.02052 96 3PZ 0.00018 -0.00282 -0.00972 0.00000 0.00000 97 4XX -0.00003 0.00000 -0.00003 0.00000 -0.00023 98 4YY 0.00000 0.00004 0.00065 -0.00011 0.00250 99 4ZZ -0.00002 -0.00001 -0.00038 0.00000 -0.00022 100 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 101 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 102 4YZ 0.00000 0.00004 0.00010 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 -0.00015 0.00000 -0.00013 104 2S -0.00003 -0.00017 -0.00034 0.00013 -0.00208 105 14 H 1S 0.00000 -0.00001 -0.00027 0.00000 -0.00011 106 2S -0.00002 -0.00039 -0.00001 0.00009 -0.00166 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 0.00000 -0.00001 0.00000 -0.00002 113 3PX 0.00000 0.00000 -0.00001 0.00000 0.00002 114 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00001 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00001 0.00000 -0.00001 125 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 127 3S 0.00000 0.00001 0.00040 0.00001 -0.00003 128 3PX 0.00000 -0.00001 0.00008 0.00002 -0.00065 129 3PY 0.00000 0.00003 0.00046 0.00000 -0.00002 130 3PZ 0.00000 0.00000 0.00007 0.00004 -0.00040 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00009 0.00000 0.00000 139 2PX 0.00001 -0.00001 -0.00061 0.00000 0.00000 140 2PY 0.00000 -0.00001 -0.00045 0.00000 0.00000 141 2PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 142 3S 0.00000 -0.00055 -0.00323 0.00000 -0.00017 143 3PX 0.00004 -0.00060 -0.00284 0.00001 -0.00011 144 3PY 0.00000 0.00020 0.00072 0.00000 -0.00002 145 3PZ 0.00000 -0.00018 -0.00110 0.00001 -0.00033 146 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 148 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 -0.00003 0.00000 0.00002 156 20 H 1S 0.00000 0.00000 -0.00011 0.00000 0.00000 157 2S 0.00000 -0.00011 -0.00016 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00001 0.00000 -0.00002 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00002 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00026 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00011 0.00000 0.00001 167 3PY 0.00000 0.00000 0.00012 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 169 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 181 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00005 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 2PX 0.41187 72 2PY 0.00000 0.38125 73 2PZ 0.00000 0.00000 0.38896 74 3S 0.00000 0.00000 0.00000 0.30208 75 3PX 0.10594 0.00000 0.00000 0.00000 0.08584 76 3PY 0.00000 0.09887 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.10248 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00323 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 0.04269 0.00966 0.04454 0.03402 0.02648 85 2S 0.02852 0.00581 0.02892 0.01332 0.02784 86 11 H 1S 0.07932 0.01254 0.00674 0.03034 0.05114 87 2S 0.05032 0.00744 0.00404 -0.00477 0.04890 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 -0.00093 91 2PY 0.00000 0.07729 0.00000 0.02762 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 -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 104 2S -0.00121 -0.00487 -0.00081 -0.00793 -0.00243 105 14 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 106 2S -0.00196 -0.00463 -0.00003 -0.00090 -0.00407 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00001 -0.00004 109 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00005 110 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00006 112 3S -0.00006 0.00000 0.00000 -0.00008 -0.00026 113 3PX 0.00014 0.00002 0.00001 0.00016 0.00044 114 3PY 0.00003 0.00000 0.00000 0.00001 -0.00001 115 3PZ -0.00013 0.00001 0.00000 -0.00013 -0.00058 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 123 2S -0.00001 0.00000 -0.00001 -0.00015 -0.00016 124 2PX -0.00001 0.00000 -0.00003 -0.00017 -0.00018 125 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 126 2PZ -0.00002 0.00000 -0.00004 -0.00002 0.00018 127 3S -0.00003 -0.00001 0.00044 0.00071 -0.00008 128 3PX -0.00038 0.00000 -0.00139 -0.00064 -0.00045 129 3PY -0.00001 -0.00002 -0.00005 -0.00007 -0.00004 130 3PZ -0.00034 0.00000 -0.00007 0.00100 -0.00007 131 4XX 0.00000 0.00000 0.00000 0.00004 0.00004 132 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00001 133 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00003 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 -0.00007 0.00001 139 2PX 0.00000 0.00000 0.00000 -0.00023 0.00009 140 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00002 141 2PZ 0.00000 0.00000 0.00000 -0.00031 0.00010 142 3S 0.00000 -0.00002 -0.00038 -0.00190 0.00017 143 3PX 0.00007 -0.00012 -0.00016 -0.00155 0.00026 144 3PY -0.00009 0.00002 -0.00014 -0.00028 -0.00044 145 3PZ 0.00003 -0.00001 -0.00046 -0.00263 0.00062 146 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00002 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00002 155 2S 0.00001 0.00000 0.00004 -0.00002 -0.00010 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00014 -0.00002 158 21 H 1S 0.00000 0.00000 0.00000 -0.00008 -0.00006 159 2S 0.00018 -0.00001 0.00000 -0.00056 0.00109 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00002 -0.00001 163 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 164 2PZ 0.00000 0.00000 0.00000 0.00001 0.00002 165 3S 0.00000 0.00000 0.00000 0.00006 -0.00005 166 3PX 0.00000 0.00000 0.00001 0.00035 -0.00009 167 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00024 168 3PZ 0.00000 0.00000 0.00000 0.00015 0.00012 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 -0.00009 -0.00007 177 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00019 178 2PY 0.00000 0.00000 0.00000 0.00002 0.00004 179 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00031 180 3S -0.00010 0.00000 -0.00004 -0.00078 -0.00100 181 3PX -0.00014 -0.00001 -0.00005 -0.00049 -0.00116 182 3PY 0.00000 0.00000 -0.00001 0.00015 0.00019 183 3PZ -0.00010 -0.00001 0.00002 -0.00046 -0.00169 184 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 185 4YY 0.00000 0.00000 0.00000 0.00001 0.00002 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 189 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 76 77 78 79 80 76 3PY 0.08588 77 3PZ 0.00000 0.09074 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 0.00710 0.02916 0.00062 -0.00087 0.00098 85 2S 0.00656 0.02842 0.00050 -0.00155 0.00172 86 11 H 1S 0.00787 0.00550 0.00438 -0.00079 -0.00093 87 2S 0.00646 0.00408 0.00431 -0.00101 -0.00230 88 12 C 1S -0.00147 0.00000 0.00000 -0.00011 0.00000 89 2S 0.02052 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 0.00000 -0.00123 0.00000 0.00000 0.00000 93 3S 0.01958 0.00000 -0.00079 0.00369 -0.00124 94 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 3PY 0.01442 0.00000 -0.00111 0.00189 -0.00167 96 3PZ 0.00000 -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 -0.00202 -0.00076 0.00000 0.00003 0.00000 104 2S -0.00760 -0.00160 0.00013 -0.00003 0.00003 105 14 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 106 2S -0.00869 -0.00031 -0.00005 -0.00016 0.00020 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 -0.00001 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 0.00001 -0.00001 0.00000 0.00000 0.00000 113 3PX 0.00013 0.00005 0.00000 0.00000 0.00000 114 3PY -0.00001 0.00002 0.00000 0.00000 0.00000 115 3PZ 0.00006 -0.00007 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00001 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 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00035 0.00000 0.00000 0.00000 124 2PX 0.00001 -0.00008 0.00000 0.00000 0.00000 125 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00002 -0.00037 0.00000 0.00000 0.00001 127 3S 0.00000 0.00096 0.00000 -0.00002 0.00004 128 3PX 0.00004 -0.00201 -0.00002 -0.00004 0.00017 129 3PY -0.00002 -0.00009 0.00000 0.00000 0.00000 130 3PZ 0.00005 0.00026 -0.00006 -0.00006 0.00016 131 4XX 0.00000 -0.00011 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00015 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 136 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00007 -0.00029 0.00000 0.00000 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00016 -0.00029 0.00000 0.00000 0.00000 142 3S -0.00011 -0.00170 0.00001 0.00000 0.00000 143 3PX -0.00060 -0.00095 0.00001 -0.00001 0.00000 144 3PY 0.00001 -0.00014 0.00000 0.00001 -0.00001 145 3PZ -0.00038 -0.00168 0.00002 -0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00002 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 155 2S 0.00003 0.00049 0.00000 0.00000 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00008 0.00006 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00010 0.00006 0.00001 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 165 3S -0.00001 0.00012 0.00000 0.00000 0.00000 166 3PX -0.00017 0.00008 0.00000 0.00000 0.00000 167 3PY -0.00002 0.00010 0.00000 0.00000 0.00000 168 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S -0.00001 0.00001 0.00000 0.00000 0.00000 177 2PX -0.00004 0.00028 0.00000 0.00000 0.00000 178 2PY -0.00002 -0.00002 0.00000 0.00000 0.00000 179 2PZ -0.00004 0.00019 0.00000 0.00000 0.00000 180 3S -0.00007 -0.00014 0.00000 0.00000 0.00000 181 3PX -0.00026 0.00167 0.00001 0.00000 -0.00001 182 3PY -0.00015 -0.00013 0.00000 0.00000 0.00000 183 3PZ -0.00024 0.00090 0.00000 0.00000 -0.00001 184 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 185 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4XY 0.00096 82 4XZ 0.00000 0.00130 83 4YZ 0.00000 0.00000 0.00091 84 10 H 1S 0.00087 0.00338 0.00098 0.21529 85 2S 0.00021 0.00078 0.00021 0.11394 0.15894 86 11 H 1S 0.00195 0.00105 0.00021 -0.00052 -0.00818 87 2S 0.00042 0.00029 0.00003 -0.00841 -0.02546 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 -0.00793 94 3PX 0.00074 0.00000 0.00000 -0.00056 -0.00243 95 3PY 0.00000 0.00000 0.00000 -0.00202 -0.00760 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 0.00003 0.00000 0.00003 -0.00005 -0.00202 104 2S 0.00017 -0.00003 0.00015 -0.00202 -0.00836 105 14 H 1S 0.00005 0.00000 0.00000 0.00000 0.00039 106 2S 0.00028 -0.00001 0.00002 0.00041 0.00361 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 0.00000 0.00000 0.00000 0.00002 113 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00001 124 2PX 0.00000 0.00001 0.00000 0.00000 0.00005 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00001 0.00000 0.00000 0.00007 127 3S 0.00000 0.00002 0.00000 0.00000 0.00004 128 3PX 0.00000 0.00009 0.00000 0.00004 0.00100 129 3PY 0.00000 0.00000 -0.00001 0.00000 0.00008 130 3PZ 0.00000 0.00014 0.00000 0.00002 0.00076 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00001 0.00001 0.00000 0.00012 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 145 3PZ 0.00000 0.00001 0.00001 0.00000 0.00015 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00008 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00004 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.11187 0.16628 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 0.41188 91 2PY -0.00032 -0.00464 0.00000 0.00000 0.00000 92 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 93 3S -0.00122 -0.00090 -0.03425 0.22724 0.00000 94 3PX -0.00112 -0.00407 0.00000 0.00000 0.10594 95 3PY -0.00278 -0.00869 0.00000 0.00000 0.00000 96 3PZ -0.00020 -0.00031 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 -0.00249 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 0.00000 0.00041 -0.00166 0.02734 0.04269 104 2S 0.00039 0.00361 -0.00064 0.00994 0.02852 105 14 H 1S -0.00003 -0.00165 -0.00170 0.02785 0.07932 106 2S -0.00165 -0.00907 -0.00043 0.00951 0.05032 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 109 2PX 0.00000 -0.00018 0.00000 0.00000 0.00000 110 2PY 0.00000 -0.00006 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 3S -0.00011 -0.00101 0.00000 -0.00002 -0.00006 113 3PX 0.00017 0.00046 0.00000 0.00002 0.00014 114 3PY 0.00009 0.00062 0.00000 0.00000 0.00003 115 3PZ -0.00022 0.00007 0.00000 -0.00001 -0.00013 116 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00004 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00002 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 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00017 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00012 0.00000 0.00000 0.00000 125 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 126 2PZ -0.00001 -0.00126 0.00000 0.00000 0.00000 127 3S -0.00007 -0.00144 0.00000 -0.00017 0.00000 128 3PX -0.00022 -0.00106 0.00001 -0.00011 0.00007 129 3PY -0.00006 -0.00020 0.00000 -0.00002 -0.00009 130 3PZ -0.00067 -0.00525 0.00001 -0.00033 0.00003 131 4XX 0.00000 -0.00007 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00011 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00002 0.00000 0.00000 -0.00001 139 2PX 0.00000 -0.00001 0.00000 -0.00001 -0.00001 140 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 141 2PZ 0.00000 -0.00001 0.00000 -0.00002 -0.00002 142 3S 0.00000 0.00028 0.00001 -0.00003 -0.00003 143 3PX 0.00002 0.00011 0.00002 -0.00065 -0.00038 144 3PY -0.00004 0.00013 0.00000 -0.00002 -0.00001 145 3PZ 0.00001 0.00001 0.00004 -0.00040 -0.00034 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00001 0.00025 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 155 2S 0.00001 0.00048 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00005 0.00000 0.00002 0.00001 158 21 H 1S 0.00000 -0.00038 0.00000 0.00000 0.00000 159 2S 0.00030 -0.00171 0.00000 -0.00002 0.00018 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3S 0.00000 0.00016 0.00000 -0.00001 -0.00010 166 3PX 0.00000 -0.00013 0.00000 -0.00005 -0.00014 167 3PY 0.00000 0.00017 0.00000 0.00000 0.00000 168 3PZ 0.00000 -0.00008 0.00000 -0.00002 -0.00010 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2S 0.00000 0.00014 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00058 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00128 0.00000 0.00000 0.00000 180 3S -0.00014 0.00092 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00353 0.00000 0.00001 0.00000 182 3PY 0.00000 0.00007 0.00000 0.00000 0.00000 183 3PZ -0.00002 0.00671 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 -0.00008 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00004 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 2PY 0.38124 92 2PZ 0.00000 0.38896 93 3S 0.00000 0.00000 0.30208 94 3PX 0.00000 0.00000 0.00000 0.08584 95 3PY 0.09887 0.00000 0.00000 0.00000 0.08588 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 0.00966 0.04454 0.03402 0.02648 0.00710 104 2S 0.00581 0.02892 0.01332 0.02784 0.00655 105 14 H 1S 0.01254 0.00674 0.03034 0.05114 0.00786 106 2S 0.00744 0.00404 -0.00477 0.04890 0.00646 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 -0.00004 0.00000 109 2PX 0.00000 0.00000 -0.00002 -0.00005 0.00000 110 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00000 -0.00003 -0.00006 0.00001 112 3S 0.00000 0.00000 -0.00008 -0.00026 0.00001 113 3PX 0.00002 0.00001 0.00016 0.00044 0.00013 114 3PY 0.00000 0.00000 0.00001 -0.00001 -0.00001 115 3PZ 0.00001 0.00000 -0.00013 -0.00058 0.00006 116 4XX 0.00000 0.00000 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00007 0.00001 0.00001 124 2PX 0.00000 0.00000 -0.00023 0.00009 -0.00007 125 2PY 0.00000 0.00000 -0.00005 -0.00002 0.00001 126 2PZ 0.00000 0.00000 -0.00031 0.00010 -0.00016 127 3S -0.00002 -0.00038 -0.00190 0.00017 -0.00011 128 3PX -0.00012 -0.00016 -0.00155 0.00026 -0.00060 129 3PY 0.00002 -0.00014 -0.00028 -0.00044 0.00001 130 3PZ -0.00001 -0.00046 -0.00263 0.00062 -0.00038 131 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 138 2S 0.00000 -0.00001 -0.00015 -0.00016 0.00000 139 2PX 0.00000 -0.00003 -0.00017 -0.00018 0.00001 140 2PY 0.00000 0.00000 0.00000 -0.00001 0.00003 141 2PZ 0.00000 -0.00004 -0.00002 0.00018 0.00002 142 3S -0.00001 0.00044 0.00071 -0.00008 0.00000 143 3PX 0.00000 -0.00139 -0.00064 -0.00045 0.00004 144 3PY -0.00002 -0.00005 -0.00007 -0.00004 -0.00002 145 3PZ 0.00000 -0.00007 0.00100 -0.00007 0.00005 146 4XX 0.00000 0.00000 0.00004 0.00004 0.00000 147 4YY 0.00000 0.00000 -0.00002 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00001 -0.00003 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00002 0.00001 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00014 -0.00002 0.00008 156 20 H 1S 0.00000 0.00000 -0.00001 -0.00002 0.00000 157 2S 0.00000 0.00004 -0.00002 -0.00010 0.00003 158 21 H 1S 0.00000 0.00000 -0.00008 -0.00006 0.00000 159 2S -0.00001 0.00000 -0.00056 0.00109 -0.00010 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 -0.00009 -0.00007 -0.00001 162 2PX 0.00000 0.00000 -0.00006 -0.00019 -0.00004 163 2PY 0.00000 0.00000 0.00002 0.00004 -0.00002 164 2PZ 0.00000 0.00000 -0.00006 -0.00031 -0.00004 165 3S 0.00000 -0.00004 -0.00078 -0.00100 -0.00007 166 3PX -0.00001 -0.00005 -0.00049 -0.00116 -0.00026 167 3PY 0.00000 -0.00001 0.00015 0.00019 -0.00015 168 3PZ -0.00001 0.00002 -0.00046 -0.00169 -0.00024 169 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 170 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00001 0.00002 0.00000 174 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00002 -0.00001 -0.00002 178 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 179 2PZ 0.00000 0.00000 0.00001 0.00002 -0.00001 180 3S 0.00000 0.00000 0.00006 -0.00005 -0.00001 181 3PX 0.00000 0.00001 0.00035 -0.00009 -0.00017 182 3PY 0.00000 0.00000 -0.00004 -0.00024 -0.00002 183 3PZ 0.00000 0.00000 0.00015 0.00012 -0.00007 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 3PZ 0.09074 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 0.02916 0.00062 -0.00087 0.00098 0.00087 104 2S 0.02842 0.00050 -0.00155 0.00172 0.00021 105 14 H 1S 0.00550 0.00438 -0.00079 -0.00093 0.00195 106 2S 0.00409 0.00431 -0.00102 -0.00230 0.00042 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 0.00000 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00005 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00004 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00029 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ -0.00029 0.00000 0.00000 0.00000 0.00000 127 3S -0.00170 0.00001 0.00000 0.00000 0.00000 128 3PX -0.00095 0.00001 -0.00001 0.00000 0.00000 129 3PY -0.00014 0.00000 0.00001 -0.00001 0.00000 130 3PZ -0.00168 0.00002 -0.00001 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 138 2S -0.00035 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00037 0.00000 0.00000 0.00001 0.00000 142 3S 0.00096 0.00000 -0.00002 0.00004 0.00000 143 3PX -0.00201 -0.00002 -0.00004 0.00017 0.00000 144 3PY -0.00009 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00026 -0.00006 -0.00006 0.00016 0.00000 146 4XX -0.00011 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00015 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00002 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00006 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 157 2S 0.00049 0.00000 0.00000 -0.00001 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00006 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00001 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00028 0.00000 0.00000 0.00000 0.00000 163 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00019 0.00000 0.00000 0.00000 0.00000 165 3S -0.00014 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00167 0.00001 0.00000 -0.00001 0.00000 167 3PY -0.00013 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00090 0.00000 0.00000 -0.00001 0.00000 169 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 170 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00012 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00008 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00010 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 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 0.00338 0.00098 0.21529 104 2S 0.00078 0.00021 0.11394 0.15894 105 14 H 1S 0.00105 0.00021 -0.00052 -0.00818 0.21593 106 2S 0.00029 0.00003 -0.00841 -0.02546 0.11187 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 0.00000 0.00000 0.00002 -0.00011 113 3PX 0.00000 0.00000 0.00000 -0.00002 0.00017 114 3PY 0.00000 0.00000 0.00000 -0.00001 0.00009 115 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00022 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00001 0.00000 0.00012 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00003 0.00002 129 3PY 0.00000 0.00000 0.00000 0.00003 -0.00004 130 3PZ 0.00001 0.00001 0.00000 0.00015 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00001 0.00000 139 2PX 0.00001 0.00000 0.00000 0.00005 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00001 0.00000 0.00000 0.00007 -0.00001 142 3S 0.00002 0.00000 0.00000 0.00004 -0.00007 143 3PX 0.00009 0.00000 0.00004 0.00100 -0.00022 144 3PY 0.00000 -0.00001 0.00000 0.00008 -0.00006 145 3PZ 0.00014 0.00000 0.00002 0.00076 -0.00067 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00006 0.00001 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00008 0.00030 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00004 -0.00014 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 -0.00002 -0.00002 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.16628 107 15 C 1S 0.00001 2.04980 108 2S -0.00016 -0.01427 0.34292 109 2PX -0.00018 0.00000 0.00000 0.42798 110 2PY -0.00006 0.00000 0.00000 0.00000 0.29266 111 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 112 3S -0.00101 -0.02762 0.21130 0.00000 0.00000 113 3PX 0.00046 0.00000 0.00000 0.08852 0.00000 114 3PY 0.00062 0.00000 0.00000 0.00000 0.04043 115 3PZ 0.00007 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00004 -0.00141 0.00019 0.00000 0.00000 117 4YY 0.00002 -0.00104 -0.00728 0.00000 0.00000 118 4ZZ -0.00004 -0.00140 -0.00030 0.00000 0.00000 119 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00002 0.00000 -0.00016 -0.00038 -0.00003 124 2PX -0.00001 0.00000 -0.00030 -0.00036 -0.00032 125 2PY 0.00004 0.00000 -0.00018 -0.00014 0.00000 126 2PZ -0.00001 0.00000 -0.00012 -0.00041 -0.00029 127 3S 0.00028 0.00006 -0.00090 -0.00264 0.00040 128 3PX 0.00011 0.00014 -0.00168 -0.00116 -0.00157 129 3PY 0.00013 0.00007 -0.00102 -0.00012 -0.00078 130 3PZ 0.00001 0.00002 0.00026 -0.00122 -0.00112 131 4XX 0.00000 0.00000 0.00001 0.00005 0.00000 132 4YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 133 4ZZ 0.00000 0.00000 0.00002 0.00006 0.00003 134 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 135 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 136 4YZ -0.00001 0.00000 0.00002 0.00004 0.00000 137 17 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 138 2S -0.00017 0.00000 -0.00016 -0.00038 -0.00003 139 2PX -0.00012 0.00000 -0.00030 -0.00036 -0.00032 140 2PY -0.00003 0.00000 -0.00018 -0.00014 0.00000 141 2PZ -0.00126 0.00000 -0.00012 -0.00041 -0.00029 142 3S -0.00144 0.00006 -0.00090 -0.00264 0.00040 143 3PX -0.00106 0.00014 -0.00168 -0.00116 -0.00157 144 3PY -0.00020 0.00007 -0.00102 -0.00012 -0.00078 145 3PZ -0.00525 0.00002 0.00026 -0.00122 -0.00112 146 4XX -0.00007 0.00000 0.00001 0.00005 0.00000 147 4YY 0.00002 0.00000 -0.00001 -0.00002 0.00000 148 4ZZ 0.00011 0.00000 0.00002 0.00005 0.00003 149 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 151 4YZ 0.00000 0.00000 0.00002 0.00004 0.00000 152 18 H 1S 0.00001 -0.00189 0.03334 0.09738 0.00000 153 2S 0.00025 -0.00112 0.01681 0.05687 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00005 0.00000 0.00020 0.00020 0.00017 156 20 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 157 2S 0.00048 0.00000 0.00020 0.00020 0.00017 158 21 H 1S -0.00038 -0.00189 0.03298 0.00486 0.00000 159 2S -0.00171 -0.00105 0.01599 0.00407 0.00000 160 22 O 1S -0.00001 0.00000 -0.00001 -0.00012 -0.00042 161 2S 0.00014 -0.00001 0.00022 0.00238 0.00832 162 2PX 0.00058 -0.00005 0.00252 -0.00015 0.00935 163 2PY 0.00001 -0.00022 0.01256 0.01063 0.02341 164 2PZ 0.00128 -0.00005 0.00249 0.00213 0.01088 165 3S 0.00092 0.00084 -0.01440 0.00278 0.00788 166 3PX 0.00353 -0.00032 0.00325 -0.00392 0.00864 167 3PY 0.00007 -0.00300 0.02932 0.01404 0.01970 168 3PZ 0.00671 -0.00029 0.00287 0.00123 0.01196 169 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 170 4YY -0.00008 -0.00016 0.00280 0.00181 0.00191 171 4ZZ 0.00005 0.00000 -0.00007 0.00001 -0.00017 172 4XY 0.00000 -0.00006 0.00072 0.00006 0.00037 173 4XZ 0.00004 -0.00001 0.00011 0.00003 0.00010 174 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00074 175 23 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 176 2S 0.00001 -0.00001 0.00022 0.00238 0.00832 177 2PX -0.00001 -0.00005 0.00252 -0.00015 0.00935 178 2PY 0.00001 -0.00022 0.01256 0.01063 0.02341 179 2PZ -0.00001 -0.00005 0.00249 0.00213 0.01088 180 3S 0.00016 0.00084 -0.01440 0.00278 0.00788 181 3PX -0.00013 -0.00032 0.00325 -0.00392 0.00864 182 3PY 0.00017 -0.00300 0.02932 0.01404 0.01970 183 3PZ -0.00008 -0.00029 0.00287 0.00123 0.01196 184 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 185 4YY 0.00000 -0.00016 0.00280 0.00181 0.00191 186 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 187 4XY 0.00000 -0.00006 0.00072 0.00006 0.00037 188 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 189 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00074 111 112 113 114 115 111 2PZ 0.42493 112 3S 0.00000 0.23350 113 3PX 0.00000 0.00000 0.06205 114 3PY 0.00000 0.00000 0.00000 0.02607 115 3PZ 0.08274 0.00000 0.00000 0.00000 0.06494 116 4XX 0.00000 0.00151 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00812 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00201 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 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 123 2S -0.00024 -0.00098 -0.00204 -0.00026 -0.00154 124 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00360 125 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 126 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 127 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 128 3PX -0.00288 -0.00489 -0.00073 -0.00141 -0.00620 129 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 130 3PZ 0.00021 0.00277 -0.00117 -0.00109 0.00048 131 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 132 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 133 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 134 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 135 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 136 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 137 17 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 138 2S -0.00024 -0.00098 -0.00204 -0.00026 -0.00154 139 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00360 140 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 141 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 142 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 143 3PX -0.00288 -0.00489 -0.00073 -0.00141 -0.00620 144 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 145 3PZ 0.00021 0.00277 -0.00117 -0.00109 0.00048 146 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 147 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 148 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 149 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 150 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 151 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 152 18 H 1S 0.00388 0.03986 0.04871 0.00000 0.00027 153 2S 0.00316 0.02108 0.04009 0.00000 -0.00020 154 19 H 1S 0.00000 0.00014 0.00015 0.00018 0.00008 155 2S 0.00029 0.00131 0.00123 0.00115 0.00056 156 20 H 1S 0.00000 0.00014 0.00015 0.00018 0.00008 157 2S 0.00029 0.00131 0.00123 0.00115 0.00056 158 21 H 1S 0.09575 0.04348 0.00167 0.00000 0.04188 159 2S 0.05687 0.03016 0.00183 0.00000 0.02579 160 22 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 161 2S 0.00236 -0.01601 -0.00145 0.00067 -0.00118 162 2PX 0.00233 0.00166 0.00018 0.00391 0.00263 163 2PY 0.01132 0.01000 0.00431 0.00085 0.00439 164 2PZ -0.00004 0.00124 0.00176 0.00527 0.00255 165 3S 0.00307 -0.06226 -0.00434 -0.00312 -0.00503 166 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 167 3PY 0.01543 0.02200 0.00669 -0.00009 0.00681 168 3PZ -0.00395 -0.00041 0.00233 0.00760 0.00838 169 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 170 4YY 0.00188 0.00289 0.00087 0.00032 0.00092 171 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 172 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 173 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 174 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 175 23 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 176 2S 0.00236 -0.01601 -0.00145 0.00067 -0.00118 177 2PX 0.00233 0.00166 0.00018 0.00391 0.00263 178 2PY 0.01133 0.01000 0.00431 0.00085 0.00439 179 2PZ -0.00004 0.00124 0.00177 0.00527 0.00255 180 3S 0.00307 -0.06226 -0.00434 -0.00312 -0.00503 181 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 182 3PY 0.01543 0.02200 0.00669 -0.00009 0.00681 183 3PZ -0.00395 -0.00041 0.00233 0.00760 0.00838 184 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 185 4YY 0.00188 0.00289 0.00087 0.00032 0.00092 186 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 187 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 188 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 189 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00041 0.00343 118 4ZZ -0.00055 -0.00046 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 124 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 125 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 126 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 127 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 128 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 129 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 130 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 131 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 139 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 140 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 141 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 142 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 143 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 144 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 145 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00896 -0.00137 -0.00146 0.00000 0.00049 153 2S 0.00902 -0.00240 -0.00536 0.00000 0.00008 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 158 21 H 1S -0.00142 -0.00145 0.00894 0.00000 0.00060 159 2S -0.00569 -0.00314 0.01031 0.00000 0.00010 160 22 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 161 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 162 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 163 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 164 2PZ 0.00032 0.00163 0.00003 0.00135 -0.00001 165 3S -0.00146 0.00617 -0.00165 0.00069 0.00008 166 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 167 3PY 0.00042 -0.00079 0.00022 0.00092 0.00063 168 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 169 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 170 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 171 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 172 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 173 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 175 23 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 176 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 177 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 178 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 179 2PZ 0.00032 0.00163 0.00003 0.00135 -0.00001 180 3S -0.00146 0.00617 -0.00165 0.00069 0.00008 181 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 182 3PY 0.00042 -0.00079 0.00022 0.00092 0.00063 183 3PZ 0.00138 0.00233 -0.00138 0.00087 0.00003 184 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 185 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 186 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 187 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 188 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S 0.00000 -0.01389 0.33288 124 2PX 0.00004 0.00000 0.00000 0.34621 125 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 126 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03170 0.22133 0.00000 0.00000 128 3PX 0.00002 0.00000 0.00000 0.09508 0.00000 129 3PY -0.00005 0.00000 0.00000 0.00000 0.07004 130 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00001 -0.00093 -0.00929 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 133 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 138 2S 0.00000 -0.00065 0.01384 0.00000 0.04297 139 2PX 0.00004 0.00000 0.00000 0.01640 0.00000 140 2PY 0.00000 -0.00287 0.04297 0.00000 0.10300 141 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00011 0.00956 0.00000 0.03203 143 3PX 0.00002 0.00000 0.00000 0.02165 0.00000 144 3PY -0.00005 -0.00013 0.01037 0.00000 0.01886 145 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00001 0.00000 -0.00061 0.00000 -0.00167 147 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 148 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 149 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00017 0.00068 0.00002 154 19 H 1S 0.00000 -0.00236 0.03822 0.00581 0.03853 155 2S 0.00000 -0.00192 0.02241 0.00246 0.02221 156 20 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 157 2S 0.00000 0.00024 -0.00382 -0.00027 -0.00595 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00009 -0.00002 -0.00001 160 22 O 1S -0.00005 0.00000 0.00000 0.00000 0.00000 161 2S 0.00114 0.00000 -0.00003 -0.00003 -0.00007 162 2PX 0.00132 0.00000 -0.00005 0.00010 -0.00012 163 2PY 0.00250 0.00000 -0.00016 -0.00010 -0.00034 164 2PZ -0.00012 0.00000 0.00000 -0.00008 -0.00014 165 3S 0.00088 -0.00001 -0.00015 -0.00043 0.00138 166 3PX 0.00085 0.00004 -0.00104 0.00070 -0.00111 167 3PY 0.00103 0.00011 -0.00329 -0.00122 -0.00346 168 3PZ 0.00060 -0.00001 0.00015 -0.00130 -0.00196 169 4XX -0.00006 0.00000 0.00000 -0.00001 -0.00005 170 4YY 0.00018 0.00000 -0.00003 -0.00001 -0.00005 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 172 4XY 0.00007 0.00000 0.00002 0.00002 0.00012 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 175 23 O 1S -0.00005 0.00000 -0.00006 -0.00048 -0.00006 176 2S 0.00114 -0.00002 0.00104 0.00849 0.00171 177 2PX 0.00132 -0.00024 0.01219 0.01590 0.00661 178 2PY 0.00250 -0.00005 0.00218 0.00602 -0.00067 179 2PZ -0.00012 -0.00011 0.00477 0.01887 0.00318 180 3S 0.00088 0.00061 -0.00734 0.01468 -0.00371 181 3PX 0.00085 -0.00226 0.02342 0.01029 0.00756 182 3PY 0.00103 -0.00071 0.00626 0.00942 -0.00375 183 3PZ 0.00059 -0.00096 0.00742 0.01889 0.00399 184 4XX -0.00006 -0.00009 0.00127 -0.00098 0.00104 185 4YY 0.00018 -0.00001 0.00012 0.00061 0.00000 186 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 187 4XY 0.00007 -0.00008 0.00088 0.00084 0.00020 188 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 189 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 126 127 128 129 130 126 2PZ 0.37881 127 3S 0.00000 0.30240 128 3PX 0.00000 0.00000 0.10753 129 3PY 0.00000 0.00000 0.00000 0.05313 130 3PZ 0.09296 0.00000 0.00000 0.00000 0.09324 131 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 138 2S 0.00000 0.00956 0.00000 0.01037 0.00000 139 2PX 0.00000 0.00000 0.02165 0.00000 0.00000 140 2PY 0.00000 0.03203 0.00000 0.01886 0.00000 141 2PZ 0.01211 0.00000 0.00000 0.00000 0.01873 142 3S 0.00000 -0.01174 0.00000 -0.00774 0.00000 143 3PX 0.00000 0.00000 0.02493 0.00000 0.00000 144 3PY 0.00000 -0.00774 0.00000 0.00238 0.00000 145 3PZ 0.01873 0.00000 0.00000 0.00000 0.02709 146 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 147 4YY 0.00000 0.00361 0.00000 0.00143 0.00000 148 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 149 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 152 18 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 153 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 154 19 H 1S 0.05490 0.05282 0.00177 0.01252 0.02525 155 2S 0.03133 0.03771 -0.00039 0.01030 0.02356 156 20 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 157 2S -0.00030 -0.01562 -0.00006 -0.00811 0.00007 158 21 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 159 2S 0.00051 0.00239 -0.00041 -0.00054 0.00259 160 22 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 161 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 162 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 163 2PY -0.00004 -0.00391 0.00057 -0.00410 0.00089 164 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 165 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 166 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 167 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 168 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 169 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 170 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 171 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 172 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 175 23 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 176 2S 0.00516 -0.01942 -0.00293 0.00273 -0.00508 177 2PX 0.01963 0.00361 0.00058 0.00087 0.00354 178 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 179 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 180 3S 0.00746 -0.06779 -0.00105 0.00117 -0.01270 181 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 182 3PY 0.00482 0.00726 -0.00035 0.01063 0.00017 183 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 184 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 185 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 186 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 187 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 188 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 189 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00027 0.00124 133 4ZZ -0.00019 -0.00008 0.00166 134 4XY 0.00000 0.00000 0.00000 0.00146 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 138 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 140 2PY -0.00167 0.00315 -0.00128 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 144 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 147 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 148 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00009 0.00001 0.00003 0.00000 0.00001 154 19 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 155 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 163 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 165 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 166 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 167 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 168 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 176 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 177 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 178 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 179 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 180 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 181 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 182 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 183 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 184 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 185 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 186 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 187 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 188 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 189 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00000 2.05255 138 2S 0.00000 -0.01389 0.33288 139 2PX 0.00000 0.00000 0.00000 0.34621 140 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 141 2PZ 0.00234 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.03170 0.22133 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.09508 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.07004 145 3PZ 0.00113 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 147 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 148 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ -0.00018 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00001 0.00000 0.00017 0.00068 0.00002 154 19 H 1S 0.00377 0.00000 -0.00020 -0.00001 -0.00045 155 2S 0.00064 0.00024 -0.00382 -0.00027 -0.00595 156 20 H 1S 0.00004 -0.00236 0.03822 0.00581 0.03853 157 2S 0.00022 -0.00192 0.02241 0.00246 0.02222 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00001 0.00000 0.00009 -0.00002 -0.00001 160 22 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 161 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 162 2PX 0.00001 -0.00024 0.01219 0.01590 0.00661 163 2PY 0.00001 -0.00005 0.00218 0.00602 -0.00067 164 2PZ 0.00000 -0.00011 0.00477 0.01887 0.00318 165 3S 0.00000 0.00061 -0.00734 0.01468 -0.00371 166 3PX 0.00007 -0.00226 0.02342 0.01029 0.00755 167 3PY 0.00009 -0.00071 0.00626 0.00942 -0.00375 168 3PZ -0.00001 -0.00096 0.00742 0.01889 0.00399 169 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 170 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 171 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 172 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 173 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 174 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 175 23 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 176 2S 0.00056 0.00000 -0.00003 -0.00003 -0.00007 177 2PX 0.00116 0.00000 -0.00005 0.00010 -0.00012 178 2PY 0.00016 0.00000 -0.00016 -0.00010 -0.00034 179 2PZ -0.00003 0.00000 0.00000 -0.00008 -0.00014 180 3S 0.00085 -0.00001 -0.00015 -0.00043 0.00138 181 3PX 0.00070 0.00004 -0.00104 0.00070 -0.00111 182 3PY 0.00045 0.00011 -0.00329 -0.00122 -0.00346 183 3PZ 0.00002 -0.00001 0.00015 -0.00130 -0.00196 184 4XX -0.00001 0.00000 0.00000 -0.00001 -0.00005 185 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00005 186 4ZZ -0.00001 0.00000 0.00000 0.00001 -0.00002 187 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 189 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 141 142 143 144 145 141 2PZ 0.37881 142 3S 0.00000 0.30241 143 3PX 0.00000 0.00000 0.10753 144 3PY 0.00000 0.00000 0.00000 0.05313 145 3PZ 0.09296 0.00000 0.00000 0.00000 0.09324 146 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 148 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 153 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 154 19 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 155 2S -0.00030 -0.01562 -0.00006 -0.00811 0.00007 156 20 H 1S 0.05490 0.05282 0.00177 0.01252 0.02525 157 2S 0.03133 0.03771 -0.00039 0.01031 0.02356 158 21 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 159 2S 0.00051 0.00239 -0.00041 -0.00054 0.00258 160 22 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 161 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 162 2PX 0.01963 0.00361 0.00058 0.00087 0.00354 163 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 164 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 165 3S 0.00746 -0.06779 -0.00105 0.00117 -0.01270 166 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 167 3PY 0.00482 0.00726 -0.00035 0.01064 0.00017 168 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 169 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 170 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 171 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 172 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 173 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 174 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 175 23 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 176 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 177 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 178 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 179 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 180 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 181 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 182 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 183 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 184 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 185 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 186 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 187 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00027 0.00124 148 4ZZ -0.00019 -0.00008 0.00166 149 4XY 0.00000 0.00000 0.00000 0.00146 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00009 0.00001 0.00003 0.00000 0.00001 154 19 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 155 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 156 20 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 157 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 160 22 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 161 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 162 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 163 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 164 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 165 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 166 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 167 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 168 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 169 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 170 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 171 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 172 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 173 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 174 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 178 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 180 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 181 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 182 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 183 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S 0.00000 0.22350 153 2S -0.00001 0.11454 0.16575 154 19 H 1S 0.00004 0.00000 0.00000 0.21549 155 2S 0.00022 0.00000 0.00008 0.10063 0.12398 156 20 H 1S 0.00377 0.00000 0.00000 0.00000 -0.00015 157 2S 0.00064 0.00000 0.00008 -0.00015 0.00011 158 21 H 1S 0.00000 -0.00073 -0.01186 0.00000 -0.00001 159 2S 0.00001 -0.01284 -0.04733 -0.00001 -0.00038 160 22 O 1S -0.00003 0.00000 0.00006 0.00000 0.00000 161 2S 0.00056 -0.00005 -0.00107 0.00000 0.00003 162 2PX 0.00116 -0.00023 -0.00553 0.00000 0.00010 163 2PY 0.00016 -0.00003 -0.00102 0.00000 0.00014 164 2PZ -0.00003 0.00003 0.00091 0.00000 -0.00001 165 3S 0.00085 -0.00164 -0.00219 0.00001 0.00029 166 3PX 0.00070 -0.00522 -0.02178 0.00002 0.00085 167 3PY 0.00045 -0.00040 -0.00267 0.00003 0.00122 168 3PZ 0.00002 0.00076 0.00433 0.00000 -0.00018 169 4XX -0.00001 0.00010 0.00072 0.00000 0.00000 170 4YY 0.00001 0.00000 -0.00028 0.00000 0.00002 171 4ZZ -0.00001 -0.00001 -0.00023 0.00000 -0.00001 172 4XY -0.00003 0.00003 -0.00009 0.00000 0.00000 173 4XZ 0.00000 0.00001 0.00002 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00001 0.00000 -0.00001 175 23 O 1S 0.00000 0.00000 0.00006 0.00000 0.00016 176 2S 0.00000 -0.00005 -0.00107 -0.00006 -0.00225 177 2PX 0.00001 -0.00023 -0.00553 -0.00004 -0.00058 178 2PY 0.00001 -0.00003 -0.00102 -0.00001 -0.00012 179 2PZ 0.00000 0.00003 0.00091 -0.00014 -0.00326 180 3S 0.00000 -0.00164 -0.00219 -0.00308 -0.01369 181 3PX 0.00007 -0.00522 -0.02178 -0.00017 0.00034 182 3PY 0.00009 -0.00040 -0.00267 -0.00010 -0.00030 183 3PZ -0.00001 0.00076 0.00433 -0.00288 -0.01158 184 4XX 0.00000 0.00010 0.00072 0.00003 0.00011 185 4YY 0.00000 0.00000 -0.00028 0.00000 0.00015 186 4ZZ 0.00000 -0.00001 -0.00023 0.00008 0.00047 187 4XY 0.00000 0.00003 -0.00009 0.00001 0.00002 188 4XZ 0.00000 0.00001 0.00002 0.00006 0.00007 189 4YZ 0.00000 0.00000 0.00001 0.00001 0.00004 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.10063 0.12398 158 21 H 1S 0.00000 -0.00001 0.22400 159 2S -0.00001 -0.00038 0.12136 0.19868 160 22 O 1S 0.00000 0.00016 0.00000 0.00005 2.07557 161 2S -0.00006 -0.00225 -0.00004 -0.00073 -0.04159 162 2PX -0.00004 -0.00058 0.00002 0.00089 0.00000 163 2PY -0.00001 -0.00012 -0.00003 -0.00090 0.00000 164 2PZ -0.00014 -0.00326 -0.00026 -0.00755 0.00000 165 3S -0.00308 -0.01369 -0.00186 -0.00584 -0.04102 166 3PX -0.00017 0.00034 0.00063 0.00420 0.00000 167 3PY -0.00010 -0.00030 -0.00064 -0.00312 0.00000 168 3PZ -0.00288 -0.01158 -0.00614 -0.03000 0.00000 169 4XX 0.00003 0.00011 -0.00001 -0.00022 -0.00051 170 4YY 0.00000 0.00015 0.00000 -0.00014 -0.00042 171 4ZZ 0.00008 0.00047 0.00009 0.00078 -0.00047 172 4XY 0.00001 0.00002 0.00000 0.00002 0.00000 173 4XZ 0.00006 0.00007 0.00001 0.00003 0.00000 174 4YZ 0.00001 0.00004 0.00003 -0.00016 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00005 0.00000 176 2S 0.00000 0.00003 -0.00004 -0.00073 0.00000 177 2PX 0.00000 0.00010 0.00002 0.00089 0.00000 178 2PY 0.00000 0.00014 -0.00003 -0.00090 0.00000 179 2PZ 0.00000 -0.00001 -0.00026 -0.00755 0.00000 180 3S 0.00001 0.00029 -0.00186 -0.00584 -0.00002 181 3PX 0.00002 0.00085 0.00063 0.00420 0.00000 182 3PY 0.00003 0.00122 -0.00064 -0.00312 0.00002 183 3PZ 0.00000 -0.00018 -0.00614 -0.03000 0.00000 184 4XX 0.00000 0.00000 -0.00001 -0.00022 0.00000 185 4YY 0.00000 0.00002 0.00000 -0.00014 0.00000 186 4ZZ 0.00000 -0.00001 0.00009 0.00078 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 188 4XZ 0.00000 0.00000 0.00001 0.00003 0.00000 189 4YZ 0.00000 -0.00001 0.00003 -0.00016 0.00000 161 162 163 164 165 161 2S 0.50359 162 2PX 0.00000 0.64787 163 2PY 0.00000 0.00000 0.66557 164 2PZ 0.00000 0.00000 0.00000 0.71656 165 3S 0.45247 0.00000 0.00000 0.00000 0.75619 166 3PX 0.00000 0.20359 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.23214 0.00000 169 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 170 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 171 4ZZ -0.00300 0.00000 0.00000 0.00000 -0.00452 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 176 2S 0.00000 0.00000 -0.00001 0.00000 0.00039 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY -0.00001 0.00000 -0.00009 0.00000 -0.00113 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00039 0.00000 -0.00113 0.00000 0.00661 181 3PX 0.00000 0.00005 0.00000 0.00000 0.00000 182 3PY -0.00063 0.00000 -0.00629 0.00000 -0.00515 183 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 185 4YY 0.00000 0.00000 0.00001 0.00000 -0.00029 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 3PX 0.26575 167 3PY 0.00000 0.26979 168 3PZ 0.00000 0.00000 0.30855 169 4XX 0.00000 0.00000 0.00000 0.00104 170 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00002 0.00000 0.00000 0.00000 176 2S 0.00000 -0.00063 0.00000 0.00000 0.00000 177 2PX 0.00005 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 -0.00629 0.00000 0.00000 0.00001 179 2PZ 0.00000 0.00000 0.00014 0.00000 0.00000 180 3S 0.00000 -0.00515 0.00000 -0.00002 -0.00029 181 3PX 0.00052 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 -0.02517 0.00000 -0.00006 0.00002 183 3PZ 0.00000 0.00000 0.00162 0.00000 0.00000 184 4XX 0.00000 -0.00006 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00002 0.00000 0.00000 0.00003 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 4ZZ 0.00079 172 4XY 0.00000 0.00161 173 4XZ 0.00000 0.00000 0.00045 174 4YZ 0.00000 0.00000 0.00000 0.00151 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 2.07557 176 2S 0.00000 0.00000 0.00000 0.00000 -0.04159 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00002 0.00000 0.00000 0.00000 -0.04102 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY -0.00005 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00051 185 4YY 0.00000 0.00000 0.00000 0.00000 -0.00042 186 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00047 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 2S 0.50359 177 2PX 0.00000 0.64787 178 2PY 0.00000 0.00000 0.66558 179 2PZ 0.00000 0.00000 0.00000 0.71656 180 3S 0.45247 0.00000 0.00000 0.00000 0.75619 181 3PX 0.00000 0.20359 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.23214 0.00000 184 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 185 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 186 4ZZ -0.00300 0.00000 0.00000 0.00000 -0.00452 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 3PX 0.26575 182 3PY 0.00000 0.26980 183 3PZ 0.00000 0.00000 0.30855 184 4XX 0.00000 0.00000 0.00000 0.00104 185 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 186 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 187 188 189 186 4ZZ 0.00079 187 4XY 0.00000 0.00161 188 4XZ 0.00000 0.00000 0.00045 189 4YZ 0.00000 0.00000 0.00000 0.00151 Gross orbital populations: 1 1 1 C 1S 1.99262 2 2S 0.70383 3 2PX 0.61234 4 2PY 0.72535 5 2PZ 0.68246 6 3S 0.59621 7 3PX 0.32769 8 3PY 0.24311 9 3PZ 0.25793 10 4XX -0.01515 11 4YY 0.01157 12 4ZZ -0.00535 13 4XY 0.00395 14 4XZ 0.00662 15 4YZ 0.00631 16 2 H 1S 0.53359 17 2S 0.34361 18 3 C 1S 1.99191 19 2S 0.70501 20 2PX 0.64894 21 2PY 0.74795 22 2PZ 0.68316 23 3S 0.50003 24 3PX 0.32198 25 3PY 0.20203 26 3PZ 0.30108 27 4XX -0.01176 28 4YY 0.00155 29 4ZZ -0.00527 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 0.70501 37 2PX 0.64894 38 2PY 0.74795 39 2PZ 0.68316 40 3S 0.50003 41 3PX 0.32198 42 3PY 0.20204 43 3PZ 0.30108 44 4XX -0.01176 45 4YY 0.00155 46 4ZZ -0.00527 47 4XY 0.00869 48 4XZ 0.00540 49 4YZ 0.00997 50 6 H 1S 0.53307 51 2S 0.35110 52 7 C 1S 1.99262 53 2S 0.70383 54 2PX 0.61234 55 2PY 0.72535 56 2PZ 0.68246 57 3S 0.59621 58 3PX 0.32769 59 3PY 0.24311 60 3PZ 0.25793 61 4XX -0.01515 62 4YY 0.01157 63 4ZZ -0.00535 64 4XY 0.00395 65 4XZ 0.00662 66 4YZ 0.00631 67 8 H 1S 0.53359 68 2S 0.34361 69 9 C 1S 1.99220 70 2S 0.68132 71 2PX 0.72499 72 2PY 0.68461 73 2PZ 0.69614 74 3S 0.58932 75 3PX 0.33283 76 3PY 0.27010 77 3PZ 0.28726 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 0.32409 86 11 H 1S 0.53199 87 2S 0.32148 88 12 C 1S 1.99220 89 2S 0.68132 90 2PX 0.72499 91 2PY 0.68461 92 2PZ 0.69614 93 3S 0.58932 94 3PX 0.33283 95 3PY 0.27010 96 3PZ 0.28726 97 4XX 0.00505 98 4YY -0.00217 99 4ZZ -0.00062 100 4XY 0.00716 101 4XZ 0.00969 102 4YZ 0.00762 103 13 H 1S 0.52953 104 2S 0.32409 105 14 H 1S 0.53199 106 2S 0.32148 107 15 C 1S 1.99193 108 2S 0.70993 109 2PX 0.72993 110 2PY 0.53053 111 2PZ 0.72498 112 3S 0.45538 113 3PX 0.24757 114 3PY 0.09851 115 3PZ 0.23709 116 4XX 0.01406 117 4YY 0.00334 118 4ZZ 0.01373 119 4XY 0.01769 120 4XZ 0.00681 121 4YZ 0.01935 122 16 C 1S 1.99219 123 2S 0.70394 124 2PX 0.59317 125 2PY 0.75708 126 2PZ 0.65430 127 3S 0.49498 128 3PX 0.25387 129 3PY 0.17399 130 3PZ 0.26760 131 4XX -0.00743 132 4YY 0.00526 133 4ZZ -0.00002 134 4XY 0.01112 135 4XZ 0.01091 136 4YZ 0.01425 137 17 C 1S 1.99219 138 2S 0.70394 139 2PX 0.59316 140 2PY 0.75708 141 2PZ 0.65429 142 3S 0.49499 143 3PX 0.25387 144 3PY 0.17399 145 3PZ 0.26760 146 4XX -0.00743 147 4YY 0.00526 148 4ZZ -0.00003 149 4XY 0.01112 150 4XZ 0.01091 151 4YZ 0.01425 152 18 H 1S 0.54013 153 2S 0.30934 154 19 H 1S 0.52971 155 2S 0.30213 156 20 H 1S 0.52971 157 2S 0.30213 158 21 H 1S 0.54160 159 2S 0.31780 160 22 O 1S 1.99234 161 2S 0.89932 162 2PX 0.93692 163 2PY 0.96352 164 2PZ 1.01240 165 3S 1.00629 166 3PX 0.52120 167 3PY 0.55962 168 3PZ 0.56885 169 4XX 0.00128 170 4YY -0.00122 171 4ZZ -0.00485 172 4XY 0.00766 173 4XZ 0.00371 174 4YZ 0.00695 175 23 O 1S 1.99234 176 2S 0.89932 177 2PX 0.93692 178 2PY 0.96352 179 2PZ 1.01240 180 3S 1.00629 181 3PX 0.52120 182 3PY 0.55962 183 3PZ 0.56885 184 4XX 0.00128 185 4YY -0.00122 186 4ZZ -0.00485 187 4XY 0.00766 188 4XZ 0.00371 189 4YZ 0.00695 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.999288 0.361915 0.553375 -0.052127 -0.043951 0.006076 2 H 0.361915 0.613630 -0.042416 -0.007993 0.007379 -0.000145 3 C 0.553375 -0.042416 4.906265 0.367131 0.509960 -0.051749 4 H -0.052127 -0.007993 0.367131 0.624217 -0.051749 -0.007408 5 C -0.043951 0.007379 0.509960 -0.051749 4.906282 0.367132 6 H 0.006076 -0.000145 -0.051749 -0.007408 0.367132 0.624216 7 C -0.022705 0.000137 -0.043949 0.006076 0.553366 -0.052127 8 H 0.000137 -0.000004 0.007379 -0.000145 -0.042416 -0.007993 9 C 0.374484 -0.051198 -0.023524 0.005698 -0.031229 -0.000156 10 H -0.039440 -0.000656 -0.005866 -0.000050 0.001688 -0.000001 11 H -0.033808 -0.000666 0.003494 -0.000199 0.001073 0.000017 12 C -0.033027 0.005215 -0.031229 -0.000156 -0.023524 0.005698 13 H 0.002384 -0.000112 0.001689 -0.000001 -0.005867 -0.000050 14 H 0.001388 -0.000156 0.001073 0.000017 0.003494 -0.000199 15 C 0.000261 -0.000038 -0.000126 0.000000 -0.000126 0.000000 16 C 0.109697 -0.008907 -0.016899 0.000631 -0.022839 -0.000074 17 C -0.006324 0.001100 -0.022838 -0.000074 -0.016904 0.000631 18 H -0.000074 0.000000 0.000006 0.000000 0.000006 0.000000 19 H -0.018639 -0.000380 -0.004215 0.000298 0.002108 0.000020 20 H 0.001041 -0.000034 0.002108 0.000020 -0.004215 0.000298 21 H 0.000713 0.000009 -0.000061 0.000000 -0.000061 0.000000 22 O -0.000388 -0.000011 0.000474 0.000001 0.000580 -0.000014 23 O -0.010800 0.000524 0.000580 -0.000014 0.000474 0.000001 7 8 9 10 11 12 1 C -0.022705 0.000137 0.374484 -0.039440 -0.033808 -0.033027 2 H 0.000137 -0.000004 -0.051198 -0.000656 -0.000666 0.005215 3 C -0.043949 0.007379 -0.023524 -0.005866 0.003494 -0.031229 4 H 0.006076 -0.000145 0.005698 -0.000050 -0.000199 -0.000156 5 C 0.553366 -0.042416 -0.031229 0.001688 0.001073 -0.023524 6 H -0.052127 -0.007993 -0.000156 -0.000001 0.000017 0.005698 7 C 4.999295 0.361915 -0.033026 0.002384 0.001388 0.374482 8 H 0.361915 0.613630 0.005215 -0.000112 -0.000156 -0.051197 9 C -0.033026 0.005215 5.060547 0.375828 0.352750 0.333676 10 H 0.002384 -0.000112 0.375828 0.602107 -0.042573 -0.034063 11 H 0.001388 -0.000156 0.352750 -0.042573 0.605944 -0.027673 12 C 0.374482 -0.051197 0.333676 -0.034063 -0.027673 5.060549 13 H -0.039440 -0.000656 -0.034063 -0.012450 0.004406 0.375827 14 H -0.033808 -0.000666 -0.027674 0.004406 -0.012410 0.352751 15 C 0.000261 -0.000038 -0.000445 -0.000014 -0.000290 -0.000445 16 C -0.006325 0.001100 -0.004122 0.002065 -0.010501 -0.014420 17 C 0.109703 -0.008907 -0.014419 0.000341 0.000554 -0.004125 18 H -0.000074 0.000000 0.000065 -0.000002 0.000258 0.000065 19 H 0.001041 -0.000034 0.000462 -0.000059 0.000522 0.000286 20 H -0.018642 -0.000380 0.000286 0.000003 -0.000050 0.000462 21 H 0.000713 0.000009 0.000522 0.000088 -0.001799 0.000522 22 O -0.010801 0.000524 0.000320 -0.000028 0.000123 -0.004492 23 O -0.000388 -0.000011 -0.004492 0.000029 0.013071 0.000320 13 14 15 16 17 18 1 C 0.002384 0.001388 0.000261 0.109697 -0.006324 -0.000074 2 H -0.000112 -0.000156 -0.000038 -0.008907 0.001100 0.000000 3 C 0.001689 0.001073 -0.000126 -0.016899 -0.022838 0.000006 4 H -0.000001 0.000017 0.000000 0.000631 -0.000074 0.000000 5 C -0.005867 0.003494 -0.000126 -0.022839 -0.016904 0.000006 6 H -0.000050 -0.000199 0.000000 -0.000074 0.000631 0.000000 7 C -0.039440 -0.033808 0.000261 -0.006325 0.109703 -0.000074 8 H -0.000656 -0.000666 -0.000038 0.001100 -0.008907 0.000000 9 C -0.034063 -0.027674 -0.000445 -0.004122 -0.014419 0.000065 10 H -0.012450 0.004406 -0.000014 0.002065 0.000341 -0.000002 11 H 0.004406 -0.012410 -0.000290 -0.010501 0.000554 0.000258 12 C 0.375827 0.352751 -0.000445 -0.014420 -0.004125 0.000065 13 H 0.602107 -0.042572 -0.000014 0.000341 0.002065 -0.000002 14 H -0.042572 0.605943 -0.000290 0.000554 -0.010500 0.000258 15 C -0.000014 -0.000290 4.669088 -0.058170 -0.058170 0.366200 16 C 0.000341 0.000554 -0.058170 4.923708 0.490186 0.003980 17 C 0.002065 -0.010500 -0.058170 0.490186 4.923715 0.003981 18 H -0.000002 0.000258 0.366200 0.003980 0.003981 0.618340 19 H 0.000003 -0.000050 0.005648 0.381023 -0.042181 0.000082 20 H -0.000059 0.000522 0.005648 -0.042181 0.381023 0.000082 21 H 0.000088 -0.001799 0.360629 0.004885 0.004884 -0.072749 22 O 0.000029 0.013071 0.255635 -0.039161 0.230627 -0.035478 23 O -0.000028 0.000123 0.255633 0.230631 -0.039161 -0.035478 19 20 21 22 23 1 C -0.018639 0.001041 0.000713 -0.000388 -0.010800 2 H -0.000380 -0.000034 0.000009 -0.000011 0.000524 3 C -0.004215 0.002108 -0.000061 0.000474 0.000580 4 H 0.000298 0.000020 0.000000 0.000001 -0.000014 5 C 0.002108 -0.004215 -0.000061 0.000580 0.000474 6 H 0.000020 0.000298 0.000000 -0.000014 0.000001 7 C 0.001041 -0.018642 0.000713 -0.010801 -0.000388 8 H -0.000034 -0.000380 0.000009 0.000524 -0.000011 9 C 0.000462 0.000286 0.000522 0.000320 -0.004492 10 H -0.000059 0.000003 0.000088 -0.000028 0.000029 11 H 0.000522 -0.000050 -0.001799 0.000123 0.013071 12 C 0.000286 0.000462 0.000522 -0.004492 0.000320 13 H 0.000003 -0.000059 0.000088 0.000029 -0.000028 14 H -0.000050 0.000522 -0.001799 0.013071 0.000123 15 C 0.005648 0.005648 0.360629 0.255635 0.255633 16 C 0.381023 -0.042181 0.004885 -0.039161 0.230631 17 C -0.042181 0.381023 0.004884 0.230627 -0.039161 18 H 0.000082 0.000082 -0.072749 -0.035478 -0.035478 19 H 0.540721 -0.000192 -0.000394 0.002500 -0.036733 20 H -0.000192 0.540725 -0.000394 -0.036734 0.002500 21 H -0.000394 -0.000394 0.665397 -0.050904 -0.050904 22 O 0.002500 -0.036734 -0.050904 8.190599 -0.042474 23 O -0.036733 0.002500 -0.050904 -0.042474 8.190594 Mulliken charges: 1 1 C -0.149478 2 H 0.122806 3 C -0.110661 4 H 0.115826 5 C -0.110661 6 H 0.115826 7 C -0.149478 8 H 0.122807 9 C -0.285505 10 H 0.146377 11 H 0.146524 12 C -0.285503 13 H 0.146377 14 H 0.146524 15 C 0.199161 16 C 0.074799 17 C 0.074795 18 H 0.150533 19 H 0.168163 20 H 0.168162 21 H 0.140604 22 O -0.474000 23 O -0.473997 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.026671 3 C 0.005166 5 C 0.005165 7 C -0.026671 9 C 0.007396 12 C 0.007397 15 C 0.490298 16 C 0.242962 17 C 0.242957 22 O -0.474000 23 O -0.473997 APT charges: 1 1 C -0.690962 2 H 0.476039 3 C -0.405475 4 H 0.579669 5 C -0.405474 6 H 0.579669 7 C -0.690969 8 H 0.476039 9 C -0.855603 10 H 0.553102 11 H 0.329339 12 C -0.855603 13 H 0.553101 14 H 0.329342 15 C -0.600522 16 C -0.405152 17 C -0.405165 18 H 0.656852 19 H 0.522875 20 H 0.522878 21 H 0.335474 22 O -0.299731 23 O -0.299723 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.214923 3 C 0.174194 5 C 0.174195 7 C -0.214929 9 C 0.026838 12 C 0.026840 15 C 0.391804 16 C 0.117723 17 C 0.117713 22 O -0.299731 23 O -0.299723 Electronic spatial extent (au): = 1462.9360 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2919 Y= 0.0000 Z= -0.2504 Tot= 0.3846 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0587 YY= -66.2586 ZZ= -61.0978 XY= -0.0001 XZ= 2.5914 YZ= -0.0001 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5870 YY= -1.7869 ZZ= 3.3739 XY= -0.0001 XZ= 2.5914 YZ= -0.0001 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3441 YYY= 0.0002 ZZZ= -4.5868 XYY= -4.5873 XXY= -0.0003 XXZ= 2.3255 XZZ= 4.2953 YZZ= -0.0001 YYZ= -4.6289 XYZ= -0.0002 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3989 YYYY= -454.0307 ZZZZ= -400.8075 XXXY= -0.0008 XXXZ= 25.2345 YYYX= 0.0000 YYYZ= -0.0001 ZZZX= -1.4106 ZZZY= 0.0005 XXYY= -270.3237 XXZZ= -230.4653 YYZZ= -137.0199 XXYZ= -0.0005 YYXZ= 2.4751 ZZXY= 0.0001 N-N= 6.505228917810D+02 E-N=-2.466014351630D+03 KE= 4.958562959747D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176836 29.026216 2 O -19.176831 29.026293 3 O -10.292310 15.888382 4 O -10.238599 15.880971 5 O -10.238017 15.892085 6 O -10.186434 15.890010 7 O -10.186413 15.884506 8 O -10.180363 15.882763 9 O -10.180187 15.889177 10 O -10.169362 15.876088 11 O -10.168859 15.885790 12 O -1.107126 2.296509 13 O -1.013173 2.785701 14 O -0.829084 1.400510 15 O -0.765898 1.721633 16 O -0.733690 1.473761 17 O -0.728675 1.513920 18 O -0.643769 1.895179 19 O -0.614510 1.756404 20 O -0.603977 1.457279 21 O -0.584675 1.408520 22 O -0.532357 1.336067 23 O -0.511507 1.178770 24 O -0.494175 0.996074 25 O -0.470196 1.352483 26 O -0.446704 1.573937 27 O -0.443555 1.142239 28 O -0.441062 1.574472 29 O -0.405576 1.357474 30 O -0.397902 1.212947 31 O -0.389630 1.719081 32 O -0.384144 1.292313 33 O -0.373263 1.574626 34 O -0.355250 2.367355 35 O -0.348812 1.413687 36 O -0.328576 1.796844 37 O -0.319424 1.469877 38 O -0.317079 1.391342 39 O -0.286252 1.368569 40 O -0.198000 1.279607 41 O -0.185602 1.798687 42 V -0.006976 1.479621 43 V 0.010181 1.673666 44 V 0.083769 0.939874 45 V 0.112319 0.984337 46 V 0.119120 1.771727 47 V 0.122465 1.841699 48 V 0.123158 1.000066 49 V 0.135169 1.073541 50 V 0.144246 1.535749 51 V 0.145263 1.041252 52 V 0.163925 1.653022 53 V 0.171447 1.388947 54 V 0.177644 1.367549 55 V 0.192704 1.270968 56 V 0.197720 2.353042 57 V 0.203004 1.219677 58 V 0.228815 1.314934 59 V 0.236115 1.143407 60 V 0.242696 1.411925 61 V 0.249130 1.439856 62 V 0.304401 1.683434 63 V 0.313614 1.479601 64 V 0.326622 1.752517 65 V 0.370111 2.525415 66 V 0.432155 1.929601 67 V 0.473978 1.814193 68 V 0.477944 1.842597 69 V 0.491399 1.615900 70 V 0.508273 2.036063 71 V 0.523157 2.095904 72 V 0.546507 2.522757 73 V 0.547872 1.755643 74 V 0.548669 2.108019 75 V 0.568897 2.371417 76 V 0.579354 2.171804 77 V 0.607446 2.323652 78 V 0.613359 1.951016 79 V 0.618222 1.942363 80 V 0.636317 2.359067 81 V 0.663101 2.521633 82 V 0.678638 2.532031 83 V 0.712839 2.399730 84 V 0.722948 2.418593 85 V 0.740950 2.512552 86 V 0.751916 2.579597 87 V 0.775339 2.173998 88 V 0.795756 2.393434 89 V 0.798762 2.614823 90 V 0.810663 2.533620 91 V 0.828479 2.500892 92 V 0.841995 2.285390 93 V 0.854436 2.766168 94 V 0.864518 2.706302 95 V 0.880619 2.597234 96 V 0.884470 2.488857 97 V 0.885196 2.711261 98 V 0.887091 2.867996 99 V 0.898057 2.577371 100 V 0.913803 2.700587 101 V 0.937174 2.656078 102 V 0.940278 2.589281 103 V 0.951222 2.714833 104 V 1.007968 2.256234 105 V 1.014398 2.335472 106 V 1.022972 2.836242 107 V 1.027192 2.465808 108 V 1.092046 3.076255 109 V 1.099176 2.655337 110 V 1.114142 2.822321 111 V 1.149190 2.615960 112 V 1.151811 2.999931 113 V 1.189380 2.470830 114 V 1.204062 2.547920 115 V 1.251297 2.394834 116 V 1.264443 2.522739 117 V 1.367271 2.620179 118 V 1.370433 2.851948 119 V 1.398344 2.557563 120 V 1.427155 2.655774 121 V 1.432168 2.569784 122 V 1.438607 2.643353 123 V 1.475733 2.604470 124 V 1.492054 2.727512 125 V 1.526436 2.731791 126 V 1.585306 2.729158 127 V 1.639972 2.848223 128 V 1.661074 2.867754 129 V 1.720401 2.847910 130 V 1.723418 2.955703 131 V 1.758449 2.889988 132 V 1.770896 3.084121 133 V 1.794201 3.089680 134 V 1.859996 3.080300 135 V 1.877740 3.223166 136 V 1.885291 3.368958 137 V 1.908433 3.243746 138 V 1.935590 3.247649 139 V 1.958243 3.420388 140 V 1.976491 3.549540 141 V 1.978281 3.713188 142 V 1.981006 3.536693 143 V 2.000547 3.502646 144 V 2.019345 3.666137 145 V 2.041529 3.521297 146 V 2.088855 3.490861 147 V 2.120259 3.689689 148 V 2.140782 3.517675 149 V 2.160262 3.640893 150 V 2.230030 3.505801 151 V 2.254890 3.549561 152 V 2.262093 3.557702 153 V 2.279790 3.600081 154 V 2.291936 3.680194 155 V 2.309524 3.817477 156 V 2.318515 3.601862 157 V 2.371179 3.779065 158 V 2.401492 3.844875 159 V 2.434364 3.875186 160 V 2.448045 3.771084 161 V 2.451423 3.854443 162 V 2.484060 3.927443 163 V 2.522273 3.909362 164 V 2.545401 4.007246 165 V 2.598869 4.362493 166 V 2.627361 4.427675 167 V 2.645162 4.262089 168 V 2.675715 4.223321 169 V 2.692962 4.304410 170 V 2.694418 4.369138 171 V 2.736161 4.291609 172 V 2.765834 4.302919 173 V 2.803848 4.577473 174 V 2.866822 4.485872 175 V 2.879869 4.651799 176 V 2.944552 4.768070 177 V 3.105787 4.916533 178 V 3.131140 4.838646 179 V 4.006179 10.862384 180 V 4.105674 10.794415 181 V 4.127679 10.147676 182 V 4.252013 10.394783 183 V 4.268109 10.249960 184 V 4.362042 10.479334 185 V 4.370215 10.258818 186 V 4.448551 10.340456 187 V 4.489379 10.367802 188 V 4.649642 10.705346 189 V 4.874503 11.552504 Total kinetic energy from orbitals= 4.958562959747D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 204.024 -0.001 180.116 8.212 0.000 127.239 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 0.000013458 0.000008704 -0.000002019 2 1 -0.000002683 -0.000000360 -0.000003826 3 6 -0.000002724 0.000011713 -0.000004332 4 1 0.000000375 0.000001084 -0.000000612 5 6 -0.000001081 -0.000011186 -0.000003771 6 1 0.000000273 -0.000000971 -0.000000815 7 6 0.000011651 -0.000009735 -0.000001907 8 1 -0.000002225 0.000000262 -0.000004006 9 6 -0.000007313 -0.000005825 0.000011757 10 1 0.000003320 0.000001304 0.000001477 11 1 0.000009634 -0.000005297 -0.000008791 12 6 -0.000007893 0.000006453 0.000011899 13 1 0.000003697 -0.000001533 0.000001101 14 1 0.000009941 0.000005296 -0.000008702 15 6 -0.000043856 0.000000226 -0.000041554 16 6 -0.000004519 -0.000030870 0.000015367 17 6 -0.000001796 0.000030740 0.000014673 18 1 -0.000000935 -0.000000018 -0.000003420 19 1 0.000002960 -0.000002082 -0.000002083 20 1 0.000002362 0.000002175 -0.000001622 21 1 -0.000010109 -0.000000060 -0.000004204 22 8 0.000013272 -0.000052227 0.000017658 23 8 0.000014191 0.000052205 0.000017729 ------------------------------------------------------------------- Cartesian Forces: Max 0.000052227 RMS 0.000014442 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000043998 RMS 0.000006116 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 --- -0.03191 0.00086 0.00111 0.00176 0.00429 Eigenvalues --- 0.00507 0.01274 0.01369 0.01441 0.01594 Eigenvalues --- 0.01687 0.01858 0.02067 0.02137 0.02234 Eigenvalues --- 0.02575 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04651 0.04940 Eigenvalues --- 0.05186 0.05246 0.05742 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11252 Eigenvalues --- 0.11861 0.12444 0.12617 0.15483 0.16306 Eigenvalues --- 0.18373 0.18740 0.23371 0.24268 0.26914 Eigenvalues --- 0.27586 0.29673 0.30157 0.30783 0.32285 Eigenvalues --- 0.32446 0.32887 0.34620 0.35304 0.35333 Eigenvalues --- 0.35475 0.35566 0.36572 0.38193 0.38370 Eigenvalues --- 0.41328 0.41739 0.43945 Eigenvectors required to have negative eigenvalues: R11 R4 D91 D89 D98 1 -0.56540 -0.56537 -0.16958 0.16958 0.14496 D95 D85 D87 R23 D30 1 -0.14495 -0.11838 0.11838 0.11437 -0.11052 RFO step: Lambda0=1.202383253D-08 Lambda=-6.47097983D-08. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00026382 RMS(Int)= 0.00000010 Iteration 2 RMS(Cart)= 0.00000009 RMS(Int)= 0.00000006 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R2 2.62033 0.00001 0.00000 -0.00004 -0.00004 2.62029 R3 2.86315 0.00000 0.00000 0.00002 0.00002 2.86316 R4 4.37569 -0.00001 0.00000 0.00021 0.00021 4.37590 R5 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R6 2.66027 -0.00001 0.00000 0.00000 0.00000 2.66027 R7 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R8 2.62034 0.00001 0.00000 -0.00004 -0.00004 2.62029 R9 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R10 2.86315 0.00000 0.00000 0.00001 0.00001 2.86316 R11 4.37559 -0.00001 0.00000 0.00031 0.00031 4.37589 R12 2.07660 0.00000 0.00000 -0.00001 -0.00001 2.07660 R13 2.07027 0.00000 0.00000 0.00002 0.00002 2.07028 R14 2.94449 0.00000 0.00000 0.00005 0.00005 2.94454 R15 4.44352 0.00000 0.00000 -0.00237 -0.00237 4.44116 R16 2.07661 0.00000 0.00000 -0.00001 -0.00001 2.07660 R17 2.07027 0.00000 0.00000 0.00002 0.00002 2.07028 R18 4.44353 0.00000 0.00000 -0.00237 -0.00237 4.44116 R19 2.07492 0.00000 0.00000 -0.00001 -0.00001 2.07491 R20 2.07616 0.00000 0.00000 0.00002 0.00002 2.07618 R21 2.69196 -0.00004 0.00000 -0.00017 -0.00017 2.69179 R22 2.69197 -0.00004 0.00000 -0.00017 -0.00017 2.69179 R23 2.62524 0.00001 0.00000 0.00001 0.00001 2.62525 R24 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R25 2.63223 -0.00002 0.00000 -0.00002 -0.00002 2.63220 R26 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R27 2.63224 -0.00002 0.00000 -0.00004 -0.00004 2.63220 A1 2.08086 0.00000 0.00000 -0.00005 -0.00005 2.08081 A2 2.01642 0.00000 0.00000 0.00002 0.00002 2.01644 A3 1.73926 0.00000 0.00000 -0.00002 -0.00002 1.73924 A4 2.09868 0.00000 0.00000 0.00009 0.00009 2.09878 A5 1.72736 0.00000 0.00000 -0.00002 -0.00002 1.72734 A6 1.63589 0.00000 0.00000 -0.00010 -0.00010 1.63578 A7 2.09939 0.00000 0.00000 0.00000 0.00000 2.09938 A8 2.06741 0.00000 0.00000 0.00001 0.00001 2.06741 A9 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A10 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A11 2.06740 0.00000 0.00000 0.00001 0.00001 2.06741 A12 2.09939 0.00000 0.00000 -0.00001 -0.00001 2.09938 A13 2.08086 0.00000 0.00000 -0.00004 -0.00004 2.08081 A14 2.09867 0.00000 0.00000 0.00010 0.00010 2.09878 A15 1.72738 0.00000 0.00000 -0.00004 -0.00004 1.72734 A16 2.01642 0.00000 0.00000 0.00002 0.00002 2.01644 A17 1.73926 0.00000 0.00000 -0.00002 -0.00002 1.73924 A18 1.63591 0.00000 0.00000 -0.00012 -0.00012 1.63578 A19 1.87941 0.00000 0.00000 0.00006 0.00006 1.87947 A20 1.91111 -0.00001 0.00000 -0.00011 -0.00011 1.91100 A21 1.96753 0.00000 0.00000 -0.00001 -0.00001 1.96752 A22 1.84425 0.00000 0.00000 0.00002 0.00002 1.84427 A23 1.90727 0.00000 0.00000 0.00001 0.00001 1.90728 A24 1.94889 0.00000 0.00000 0.00003 0.00003 1.94893 A25 2.15585 -0.00001 0.00000 -0.00017 -0.00017 2.15568 A26 1.96753 0.00000 0.00000 -0.00001 -0.00001 1.96752 A27 1.87940 0.00000 0.00000 0.00007 0.00007 1.87947 A28 1.91111 -0.00001 0.00000 -0.00011 -0.00011 1.91100 A29 1.90727 0.00000 0.00000 0.00001 0.00001 1.90728 A30 1.94889 0.00000 0.00000 0.00003 0.00003 1.94893 A31 1.84425 0.00000 0.00000 0.00002 0.00002 1.84427 A32 2.15584 -0.00001 0.00000 -0.00016 -0.00016 2.15568 A33 1.92090 0.00000 0.00000 0.00001 0.00001 1.92092 A34 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A35 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A36 1.91790 0.00000 0.00000 -0.00002 -0.00002 1.91789 A37 1.91790 0.00000 0.00000 -0.00001 -0.00001 1.91789 A38 1.87431 0.00001 0.00000 0.00001 0.00001 1.87432 A39 1.86430 0.00000 0.00000 -0.00001 -0.00001 1.86429 A40 1.54415 0.00000 0.00000 -0.00002 -0.00002 1.54414 A41 1.86555 0.00001 0.00000 0.00002 0.00002 1.86557 A42 2.21846 0.00000 0.00000 0.00007 0.00007 2.21853 A43 1.90233 -0.00001 0.00000 -0.00006 -0.00006 1.90228 A44 1.99453 0.00000 0.00000 -0.00001 -0.00001 1.99452 A45 1.86432 0.00000 0.00000 -0.00003 -0.00003 1.86429 A46 1.54419 0.00000 0.00000 -0.00005 -0.00005 1.54414 A47 1.86556 0.00001 0.00000 0.00001 0.00001 1.86557 A48 2.21844 0.00000 0.00000 0.00009 0.00009 2.21853 A49 1.90232 -0.00001 0.00000 -0.00005 -0.00005 1.90228 A50 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A51 1.05486 0.00001 0.00000 0.00067 0.00067 1.05553 A52 1.82354 0.00000 0.00000 0.00044 0.00044 1.82398 A53 1.82354 0.00000 0.00000 0.00044 0.00044 1.82398 A54 1.86546 0.00001 0.00000 -0.00002 -0.00002 1.86544 A55 1.86546 0.00000 0.00000 -0.00002 -0.00002 1.86544 D1 -0.09752 0.00000 0.00000 -0.00001 -0.00001 -0.09754 D2 -2.99631 0.00000 0.00000 0.00001 0.00001 -2.99630 D3 -2.78332 0.00000 0.00000 -0.00018 -0.00018 -2.78350 D4 0.60108 0.00000 0.00000 -0.00015 -0.00015 0.60093 D5 1.76000 0.00000 0.00000 -0.00007 -0.00007 1.75993 D6 -1.13879 0.00000 0.00000 -0.00004 -0.00004 -1.13883 D7 -1.16605 0.00000 0.00000 0.00004 0.00004 -1.16600 D8 0.83113 0.00000 0.00000 0.00005 0.00005 0.83118 D9 3.01200 0.00000 0.00000 0.00000 0.00000 3.01200 D10 1.53579 0.00000 0.00000 0.00019 0.00019 1.53598 D11 -2.75022 0.00000 0.00000 0.00019 0.00019 -2.75003 D12 -0.56935 0.00000 0.00000 0.00014 0.00014 -0.56921 D13 -2.95593 0.00000 0.00000 0.00012 0.00012 -2.95582 D14 -0.95876 0.00000 0.00000 0.00012 0.00012 -0.95864 D15 1.22212 0.00000 0.00000 0.00007 0.00007 1.22219 D16 3.11380 0.00000 0.00000 -0.00005 -0.00005 3.11376 D17 0.87114 0.00000 0.00000 -0.00012 -0.00012 0.87103 D18 -1.13504 -0.00001 0.00000 -0.00011 -0.00011 -1.13514 D19 0.98650 0.00000 0.00000 0.00001 0.00001 0.98652 D20 -1.25616 0.00000 0.00000 -0.00006 -0.00006 -1.25622 D21 3.02085 -0.00001 0.00000 -0.00004 -0.00004 3.02080 D22 -1.13269 0.00000 0.00000 -0.00005 -0.00005 -1.13274 D23 2.90784 0.00000 0.00000 -0.00012 -0.00012 2.90771 D24 0.90165 -0.00001 0.00000 -0.00011 -0.00011 0.90154 D25 2.90005 0.00000 0.00000 -0.00002 -0.00002 2.90002 D26 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D27 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D28 -2.90003 0.00000 0.00000 0.00001 0.00001 -2.90002 D29 2.99632 0.00000 0.00000 -0.00003 -0.00003 2.99630 D30 -0.60111 0.00000 0.00000 0.00018 0.00018 -0.60093 D31 1.13879 0.00000 0.00000 0.00004 0.00004 1.13883 D32 0.09755 0.00000 0.00000 -0.00002 -0.00002 0.09754 D33 2.78331 0.00000 0.00000 0.00019 0.00019 2.78350 D34 -1.75998 0.00000 0.00000 0.00005 0.00005 -1.75993 D35 0.56939 0.00000 0.00000 -0.00018 -0.00018 0.56921 D36 -1.53575 0.00000 0.00000 -0.00023 -0.00023 -1.53597 D37 2.75027 0.00000 0.00000 -0.00023 -0.00023 2.75004 D38 -3.01200 0.00000 0.00000 0.00000 0.00000 -3.01200 D39 1.16604 0.00000 0.00000 -0.00004 -0.00004 1.16600 D40 -0.83113 0.00000 0.00000 -0.00005 -0.00005 -0.83118 D41 -1.22211 0.00000 0.00000 -0.00008 -0.00008 -1.22219 D42 2.95594 0.00000 0.00000 -0.00012 -0.00012 2.95582 D43 0.95877 0.00000 0.00000 -0.00013 -0.00013 0.95864 D44 -0.98651 0.00000 0.00000 -0.00001 -0.00001 -0.98652 D45 1.25615 0.00000 0.00000 0.00006 0.00006 1.25621 D46 -3.02085 0.00001 0.00000 0.00005 0.00005 -3.02080 D47 -3.11381 0.00000 0.00000 0.00005 0.00005 -3.11376 D48 -0.87115 0.00000 0.00000 0.00013 0.00013 -0.87103 D49 1.13503 0.00001 0.00000 0.00011 0.00011 1.13514 D50 1.13268 0.00000 0.00000 0.00006 0.00006 1.13274 D51 -2.90784 0.00000 0.00000 0.00013 0.00013 -2.90771 D52 -0.90166 0.00001 0.00000 0.00012 0.00012 -0.90154 D53 1.77073 0.00000 0.00000 0.00051 0.00051 1.77124 D54 -2.49277 0.00000 0.00000 0.00054 0.00054 -2.49223 D55 -0.42089 0.00000 0.00000 0.00058 0.00058 -0.42031 D56 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D57 2.08908 0.00000 0.00000 0.00010 0.00010 2.08918 D58 -2.16014 0.00001 0.00000 0.00015 0.00015 -2.15999 D59 -2.08913 0.00000 0.00000 -0.00005 -0.00005 -2.08918 D60 -0.00003 0.00000 0.00000 0.00003 0.00003 0.00000 D61 2.03393 0.00000 0.00000 0.00008 0.00008 2.03401 D62 2.16010 -0.00001 0.00000 -0.00011 -0.00011 2.15999 D63 -2.03399 0.00000 0.00000 -0.00003 -0.00003 -2.03401 D64 -0.00003 0.00000 0.00000 0.00002 0.00002 0.00000 D65 0.45498 0.00000 0.00000 -0.00055 -0.00055 0.45443 D66 -1.26683 0.00000 0.00000 -0.00095 -0.00095 -1.26777 D67 -1.77070 0.00000 0.00000 -0.00054 -0.00054 -1.77124 D68 0.42093 0.00000 0.00000 -0.00062 -0.00061 0.42032 D69 2.49281 0.00000 0.00000 -0.00058 -0.00058 2.49223 D70 -0.45500 0.00000 0.00000 0.00057 0.00057 -0.45443 D71 1.26680 0.00000 0.00000 0.00097 0.00097 1.26777 D72 -2.59494 0.00000 0.00000 0.00042 0.00042 -2.59452 D73 2.59494 0.00000 0.00000 -0.00042 -0.00042 2.59452 D74 1.57604 0.00001 0.00000 0.00041 0.00041 1.57646 D75 0.48274 0.00000 0.00000 -0.00042 -0.00042 0.48232 D76 -0.48274 0.00000 0.00000 0.00042 0.00042 -0.48232 D77 -1.57605 -0.00001 0.00000 -0.00041 -0.00041 -1.57646 D78 2.24021 0.00000 0.00000 0.00071 0.00071 2.24092 D79 -1.92792 0.00000 0.00000 0.00072 0.00072 -1.92720 D80 0.15769 0.00000 0.00000 0.00070 0.00070 0.15839 D81 -2.24020 0.00000 0.00000 -0.00071 -0.00071 -2.24092 D82 1.92793 0.00000 0.00000 -0.00073 -0.00073 1.92720 D83 -0.15768 0.00000 0.00000 -0.00071 -0.00071 -0.15839 D84 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D85 -1.76583 0.00000 0.00000 0.00005 0.00005 -1.76578 D86 2.00978 0.00001 0.00000 -0.00002 -0.00002 2.00976 D87 1.76578 0.00000 0.00000 0.00000 0.00000 1.76578 D88 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D89 -2.50763 0.00000 0.00000 -0.00002 -0.00002 -2.50765 D90 -2.00976 -0.00001 0.00000 0.00001 0.00001 -2.00976 D91 2.50759 0.00000 0.00000 0.00006 0.00006 2.50764 D92 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 D93 -1.91048 0.00000 0.00000 0.00047 0.00047 -1.91001 D94 0.09848 0.00000 0.00000 0.00044 0.00044 0.09893 D95 2.69531 -0.00001 0.00000 0.00048 0.00048 2.69580 D96 1.91048 0.00000 0.00000 -0.00047 -0.00047 1.91001 D97 -0.09850 0.00000 0.00000 -0.00042 -0.00042 -0.09893 D98 -2.69527 0.00001 0.00000 -0.00052 -0.00052 -2.69580 Item Value Threshold Converged? Maximum Force 0.000044 0.000450 YES RMS Force 0.000006 0.000300 YES Maximum Displacement 0.002134 0.001800 NO RMS Displacement 0.000264 0.001200 YES Predicted change in Energy=-2.634298D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.194039 -1.364523 0.078166 2 1 0 -1.088634 -2.444689 -0.012418 3 6 0 -2.109598 -0.703854 -0.726774 4 1 0 -2.649199 -1.244343 -1.502079 5 6 0 -2.109590 0.703902 -0.726747 6 1 0 -2.649185 1.244427 -1.502031 7 6 0 -1.194023 1.364530 0.078218 8 1 0 -1.088607 2.444698 -0.012324 9 6 0 -0.792370 -0.779116 1.416655 10 1 0 -1.507618 -1.141947 2.167872 11 1 0 0.181011 -1.183585 1.715250 12 6 0 -0.792362 0.779067 1.416685 13 1 0 -1.507607 1.141876 2.167916 14 1 0 0.181023 1.183514 1.715296 15 6 0 2.404078 -0.000021 0.418706 16 6 0 0.758536 -0.694597 -0.971012 17 6 0 0.758543 0.694625 -0.970985 18 1 0 3.487506 -0.000023 0.240450 19 1 0 0.506234 -1.344586 -1.792210 20 1 0 0.506247 1.344648 -1.792159 21 1 0 2.199765 -0.000041 1.498209 22 8 0 1.815934 1.147917 -0.185730 23 8 0 1.815922 -1.147930 -0.185774 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089070 0.000000 3 C 1.386600 2.140835 0.000000 4 H 2.151536 2.468862 1.088299 0.000000 5 C 2.400938 3.386184 1.407757 2.165174 0.000000 6 H 3.379511 4.273622 2.165174 2.488770 1.088299 7 C 2.729053 3.811754 2.400938 3.379511 1.386600 8 H 3.811754 4.889387 3.386184 4.273622 2.140835 9 C 1.515121 2.214533 2.516951 3.490452 2.920374 10 H 2.124793 2.574170 2.988859 3.844767 3.485448 11 H 2.145587 2.487412 3.382382 4.285438 3.843541 12 C 2.558897 3.538744 2.920374 4.007645 2.516951 13 H 3.278325 4.218156 3.485447 4.523951 2.988859 14 H 3.326182 4.214366 3.843541 4.925053 3.382383 15 C 3.863195 4.285009 4.709647 5.547374 4.709646 16 C 2.315625 2.719147 2.878529 3.492407 3.200252 17 C 3.025455 3.766457 3.200252 3.956559 2.878528 18 H 4.879043 5.194362 5.723502 6.499529 5.723501 19 H 2.527772 2.630873 2.896250 3.170328 3.489133 20 H 3.705225 4.479977 3.489133 4.091926 2.896250 21 H 3.923804 4.367135 4.900664 5.836306 4.900664 22 O 3.929622 4.623134 4.373967 5.233841 3.987429 23 O 3.029264 3.185606 3.987429 4.656099 4.373966 6 7 8 9 10 6 H 0.000000 7 C 2.151536 0.000000 8 H 2.468862 1.089070 0.000000 9 C 4.007645 2.558897 3.538744 0.000000 10 H 4.523952 3.278326 4.218157 1.098888 0.000000 11 H 4.925053 3.326181 4.214366 1.095548 1.748734 12 C 3.490452 1.515121 2.214533 1.558182 2.183155 13 H 3.844766 2.124793 2.574170 2.183155 2.283823 14 H 4.285439 2.145587 2.487412 2.211017 2.909313 15 C 5.547373 3.863193 4.285007 3.438047 4.434517 16 C 3.956559 3.025454 3.766456 2.848404 3.897200 17 C 3.492406 2.315624 2.719145 3.205942 4.284962 18 H 6.499529 4.879041 5.194359 4.506416 5.474506 19 H 4.091926 3.705224 4.479976 3.507555 4.447349 20 H 3.170327 2.527771 2.630871 4.061190 5.091233 21 H 5.836305 3.923803 4.367133 3.092972 3.936634 22 O 4.656098 3.029263 3.185604 3.617228 4.672143 23 O 5.233841 3.929621 4.623133 3.083341 4.072543 11 12 13 14 15 11 H 0.000000 12 C 2.211017 0.000000 13 H 2.909314 1.098888 0.000000 14 H 2.367099 1.095548 1.748734 0.000000 15 C 2.832644 3.438047 4.434517 2.832644 0.000000 16 C 2.790814 3.205942 4.284962 3.328223 2.263086 17 C 3.328223 2.848403 3.897199 2.790815 2.263086 18 H 3.809037 4.506415 5.474506 3.809037 1.097995 19 H 3.526183 4.061190 5.091232 4.335857 3.209021 20 H 4.335857 3.507556 4.447349 3.526184 3.209021 21 H 2.350159 3.092972 3.936634 2.350159 1.098668 22 O 3.423828 3.083341 4.072543 2.507609 1.424436 23 O 2.507608 3.617228 4.672143 3.423828 1.424436 16 17 18 19 20 16 C 0.000000 17 C 1.389221 0.000000 18 H 3.065510 3.065510 0.000000 19 H 1.077270 2.212793 3.850655 0.000000 20 H 2.212792 1.077270 3.850654 2.689234 0.000000 21 H 2.942210 2.942210 1.800066 3.937348 3.937348 22 O 2.264865 1.392902 2.072088 3.241707 2.081969 23 O 1.392902 2.264865 2.072088 2.081969 3.241707 21 22 23 21 H 0.000000 22 O 2.073833 0.000000 23 O 2.073833 2.295847 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 -1.194042 -1.364528 0.078200 2 1 0 -1.088632 -2.444693 -0.012384 3 6 0 -2.109605 -0.703864 -0.726740 4 1 0 -2.649203 -1.244355 -1.502045 5 6 0 -2.109604 0.703893 -0.726713 6 1 0 -2.649201 1.244415 -1.501997 7 6 0 -1.194040 1.364525 0.078252 8 1 0 -1.088630 2.444694 -0.012290 9 6 0 -0.792376 -0.779119 1.416689 10 1 0 -1.507623 -1.141953 2.167906 11 1 0 0.181007 -1.183583 1.715284 12 6 0 -0.792376 0.779064 1.416719 13 1 0 -1.507623 1.141870 2.167950 14 1 0 0.181007 1.183516 1.715330 15 6 0 2.404068 -0.000008 0.418740 16 6 0 0.758529 -0.694592 -0.970978 17 6 0 0.758529 0.694629 -0.970951 18 1 0 3.487496 -0.000005 0.240484 19 1 0 0.506230 -1.344582 -1.792177 20 1 0 0.506231 1.344651 -1.792125 21 1 0 2.199755 -0.000029 1.498243 22 8 0 1.815918 1.147927 -0.185696 23 8 0 1.815918 -1.147920 -0.185740 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100393 1.0127350 0.9486815 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 650.5320762410 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: "H:\Y3\TS\Exercise 2\TS\exo\exo_TSberry_B3LYP.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 -0.000012 -0.000002 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) = -500.488668996 A.U. after 7 cycles NFock= 7 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 0.000000021 -0.000000021 0.000000175 2 1 -0.000000024 0.000000010 0.000000154 3 6 -0.000000129 0.000000025 0.000000319 4 1 -0.000000278 0.000000001 0.000000414 5 6 -0.000000133 -0.000000029 0.000000316 6 1 -0.000000277 -0.000000001 0.000000412 7 6 0.000000024 0.000000022 0.000000172 8 1 -0.000000023 -0.000000009 0.000000150 9 6 0.000000180 -0.000000041 0.000000115 10 1 0.000000355 -0.000000001 0.000000218 11 1 0.000000284 -0.000000027 -0.000000053 12 6 0.000000182 0.000000044 0.000000117 13 1 0.000000356 0.000000005 0.000000217 14 1 0.000000284 0.000000031 -0.000000055 15 6 0.000000078 0.000000001 -0.000000429 16 6 -0.000000214 -0.000000087 -0.000000143 17 6 -0.000000216 0.000000084 -0.000000145 18 1 0.000000022 -0.000000002 -0.000000628 19 1 -0.000000317 -0.000000005 -0.000000133 20 1 -0.000000316 0.000000003 -0.000000136 21 1 0.000000227 0.000000000 -0.000000425 22 8 -0.000000041 0.000000040 -0.000000314 23 8 -0.000000046 -0.000000043 -0.000000317 ------------------------------------------------------------------- Cartesian Forces: Max 0.000000628 RMS 0.000000204 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000000083 RMS 0.000000011 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 --- -0.03191 0.00087 0.00111 0.00176 0.00429 Eigenvalues --- 0.00507 0.01274 0.01369 0.01441 0.01594 Eigenvalues --- 0.01687 0.01858 0.02067 0.02137 0.02234 Eigenvalues --- 0.02575 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04651 0.04940 Eigenvalues --- 0.05186 0.05246 0.05742 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11252 Eigenvalues --- 0.11861 0.12444 0.12617 0.15483 0.16306 Eigenvalues --- 0.18373 0.18740 0.23371 0.24268 0.26914 Eigenvalues --- 0.27586 0.29673 0.30157 0.30783 0.32285 Eigenvalues --- 0.32446 0.32887 0.34620 0.35304 0.35333 Eigenvalues --- 0.35475 0.35566 0.36572 0.38193 0.38370 Eigenvalues --- 0.41328 0.41739 0.43945 Eigenvectors required to have negative eigenvalues: R11 R4 D91 D89 D98 1 -0.56539 -0.56537 -0.16958 0.16958 0.14493 D95 D85 D87 R23 D30 1 -0.14493 -0.11839 0.11839 0.11437 -0.11052 RFO step: Lambda0=4.751754545D-14 Lambda= 0.00000000D+00. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00000065 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R2 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R3 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R4 4.37590 0.00000 0.00000 0.00000 0.00000 4.37590 R5 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R6 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R7 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R8 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R9 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R10 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R11 4.37589 0.00000 0.00000 0.00000 0.00000 4.37590 R12 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R13 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R14 2.94454 0.00000 0.00000 0.00000 0.00000 2.94454 R15 4.44116 0.00000 0.00000 0.00001 0.00001 4.44116 R16 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R17 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R18 4.44116 0.00000 0.00000 0.00001 0.00001 4.44116 R19 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 R20 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R21 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R22 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R23 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R24 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R25 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 R26 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R27 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 A1 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A2 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A3 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A4 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A5 1.72734 0.00000 0.00000 0.00000 0.00000 1.72734 A6 1.63578 0.00000 0.00000 0.00000 0.00000 1.63578 A7 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A8 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A9 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A10 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A11 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A12 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A13 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A14 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A15 1.72734 0.00000 0.00000 0.00000 0.00000 1.72734 A16 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A17 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A18 1.63578 0.00000 0.00000 0.00000 0.00000 1.63578 A19 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A20 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A21 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A22 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A23 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A24 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A25 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A26 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A27 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A28 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A29 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A30 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A31 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A32 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A33 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A34 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A35 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A36 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A37 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A38 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A39 1.86429 0.00000 0.00000 0.00000 0.00000 1.86429 A40 1.54414 0.00000 0.00000 0.00000 0.00000 1.54414 A41 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A42 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A43 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A44 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A45 1.86429 0.00000 0.00000 0.00000 0.00000 1.86429 A46 1.54414 0.00000 0.00000 0.00000 0.00000 1.54414 A47 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A48 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A49 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A50 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A51 1.05553 0.00000 0.00000 0.00000 0.00000 1.05553 A52 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A53 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A54 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 A55 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 D1 -0.09754 0.00000 0.00000 0.00000 0.00000 -0.09754 D2 -2.99630 0.00000 0.00000 0.00000 0.00000 -2.99630 D3 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D4 0.60093 0.00000 0.00000 0.00000 0.00000 0.60092 D5 1.75993 0.00000 0.00000 0.00000 0.00000 1.75993 D6 -1.13883 0.00000 0.00000 0.00000 0.00000 -1.13883 D7 -1.16600 0.00000 0.00000 0.00000 0.00000 -1.16600 D8 0.83118 0.00000 0.00000 0.00000 0.00000 0.83118 D9 3.01200 0.00000 0.00000 0.00000 0.00000 3.01200 D10 1.53598 0.00000 0.00000 0.00000 0.00000 1.53598 D11 -2.75003 0.00000 0.00000 0.00000 0.00000 -2.75003 D12 -0.56921 0.00000 0.00000 0.00000 0.00000 -0.56921 D13 -2.95582 0.00000 0.00000 0.00000 0.00000 -2.95582 D14 -0.95864 0.00000 0.00000 0.00000 0.00000 -0.95864 D15 1.22219 0.00000 0.00000 0.00000 0.00000 1.22219 D16 3.11376 0.00000 0.00000 0.00000 0.00000 3.11376 D17 0.87103 0.00000 0.00000 0.00000 0.00000 0.87103 D18 -1.13514 0.00000 0.00000 0.00000 0.00000 -1.13514 D19 0.98652 0.00000 0.00000 0.00000 0.00000 0.98652 D20 -1.25622 0.00000 0.00000 0.00000 0.00000 -1.25621 D21 3.02080 0.00000 0.00000 0.00000 0.00000 3.02080 D22 -1.13274 0.00000 0.00000 0.00000 0.00000 -1.13274 D23 2.90771 0.00000 0.00000 0.00000 0.00000 2.90771 D24 0.90154 0.00000 0.00000 0.00000 0.00000 0.90154 D25 2.90002 0.00000 0.00000 0.00000 0.00000 2.90002 D26 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D27 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D28 -2.90002 0.00000 0.00000 0.00000 0.00000 -2.90002 D29 2.99630 0.00000 0.00000 0.00000 0.00000 2.99630 D30 -0.60093 0.00000 0.00000 0.00000 0.00000 -0.60093 D31 1.13883 0.00000 0.00000 0.00000 0.00000 1.13883 D32 0.09754 0.00000 0.00000 0.00000 0.00000 0.09754 D33 2.78350 0.00000 0.00000 0.00000 0.00000 2.78350 D34 -1.75993 0.00000 0.00000 0.00000 0.00000 -1.75993 D35 0.56921 0.00000 0.00000 0.00000 0.00000 0.56921 D36 -1.53597 0.00000 0.00000 0.00000 0.00000 -1.53597 D37 2.75004 0.00000 0.00000 0.00000 0.00000 2.75003 D38 -3.01200 0.00000 0.00000 0.00000 0.00000 -3.01200 D39 1.16600 0.00000 0.00000 0.00000 0.00000 1.16600 D40 -0.83118 0.00000 0.00000 0.00000 0.00000 -0.83118 D41 -1.22219 0.00000 0.00000 0.00000 0.00000 -1.22219 D42 2.95582 0.00000 0.00000 0.00000 0.00000 2.95582 D43 0.95864 0.00000 0.00000 0.00000 0.00000 0.95864 D44 -0.98652 0.00000 0.00000 0.00000 0.00000 -0.98652 D45 1.25621 0.00000 0.00000 0.00000 0.00000 1.25621 D46 -3.02080 0.00000 0.00000 0.00000 0.00000 -3.02080 D47 -3.11376 0.00000 0.00000 0.00000 0.00000 -3.11376 D48 -0.87103 0.00000 0.00000 0.00000 0.00000 -0.87103 D49 1.13514 0.00000 0.00000 0.00000 0.00000 1.13514 D50 1.13274 0.00000 0.00000 0.00000 0.00000 1.13274 D51 -2.90771 0.00000 0.00000 0.00000 0.00000 -2.90771 D52 -0.90154 0.00000 0.00000 0.00000 0.00000 -0.90154 D53 1.77124 0.00000 0.00000 0.00000 0.00000 1.77124 D54 -2.49223 0.00000 0.00000 0.00000 0.00000 -2.49223 D55 -0.42031 0.00000 0.00000 0.00000 0.00000 -0.42032 D56 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D57 2.08918 0.00000 0.00000 0.00000 0.00000 2.08918 D58 -2.15999 0.00000 0.00000 0.00000 0.00000 -2.15999 D59 -2.08918 0.00000 0.00000 0.00000 0.00000 -2.08918 D60 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D61 2.03401 0.00000 0.00000 0.00000 0.00000 2.03401 D62 2.15999 0.00000 0.00000 0.00000 0.00000 2.15999 D63 -2.03401 0.00000 0.00000 0.00000 0.00000 -2.03401 D64 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D65 0.45443 0.00000 0.00000 0.00000 0.00000 0.45443 D66 -1.26777 0.00000 0.00000 0.00000 0.00000 -1.26777 D67 -1.77124 0.00000 0.00000 0.00000 0.00000 -1.77124 D68 0.42032 0.00000 0.00000 0.00000 0.00000 0.42032 D69 2.49223 0.00000 0.00000 0.00000 0.00000 2.49223 D70 -0.45443 0.00000 0.00000 0.00000 0.00000 -0.45443 D71 1.26777 0.00000 0.00000 0.00000 0.00000 1.26777 D72 -2.59452 0.00000 0.00000 0.00000 0.00000 -2.59452 D73 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D74 1.57646 0.00000 0.00000 0.00000 0.00000 1.57646 D75 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D76 -0.48232 0.00000 0.00000 0.00000 0.00000 -0.48232 D77 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D78 2.24092 0.00000 0.00000 0.00000 0.00000 2.24091 D79 -1.92720 0.00000 0.00000 0.00000 0.00000 -1.92720 D80 0.15839 0.00000 0.00000 0.00000 0.00000 0.15839 D81 -2.24092 0.00000 0.00000 0.00000 0.00000 -2.24091 D82 1.92720 0.00000 0.00000 0.00000 0.00000 1.92720 D83 -0.15839 0.00000 0.00000 0.00000 0.00000 -0.15839 D84 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D85 -1.76578 0.00000 0.00000 0.00000 0.00000 -1.76578 D86 2.00976 0.00000 0.00000 0.00000 0.00000 2.00976 D87 1.76578 0.00000 0.00000 0.00000 0.00000 1.76578 D88 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D89 -2.50765 0.00000 0.00000 0.00000 0.00000 -2.50765 D90 -2.00976 0.00000 0.00000 0.00000 0.00000 -2.00976 D91 2.50764 0.00000 0.00000 0.00000 0.00000 2.50764 D92 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D93 -1.91001 0.00000 0.00000 0.00000 0.00000 -1.91001 D94 0.09893 0.00000 0.00000 0.00000 0.00000 0.09892 D95 2.69580 0.00000 0.00000 0.00000 0.00000 2.69580 D96 1.91001 0.00000 0.00000 0.00000 0.00000 1.91001 D97 -0.09893 0.00000 0.00000 0.00000 0.00000 -0.09892 D98 -2.69580 0.00000 0.00000 0.00000 0.00000 -2.69579 Item Value Threshold Converged? Maximum Force 0.000000 0.000450 YES RMS Force 0.000000 0.000300 YES Maximum Displacement 0.000005 0.001800 YES RMS Displacement 0.000001 0.001200 YES Predicted change in Energy=-8.955686D-14 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) 1.3866 -DE/DX = 0.0 ! ! R3 R(1,9) 1.5151 -DE/DX = 0.0 ! ! R4 R(1,16) 2.3156 -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) 1.3866 -DE/DX = 0.0 ! ! R9 R(7,8) 1.0891 -DE/DX = 0.0 ! ! R10 R(7,12) 1.5151 -DE/DX = 0.0 ! ! R11 R(7,17) 2.3156 -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(11,21) 2.3502 -DE/DX = 0.0 ! ! R16 R(12,13) 1.0989 -DE/DX = 0.0 ! ! R17 R(12,14) 1.0955 -DE/DX = 0.0 ! ! R18 R(14,21) 2.3502 -DE/DX = 0.0 ! ! R19 R(15,18) 1.098 -DE/DX = 0.0 ! ! R20 R(15,21) 1.0987 -DE/DX = 0.0 ! ! R21 R(15,22) 1.4244 -DE/DX = 0.0 ! ! R22 R(15,23) 1.4244 -DE/DX = 0.0 ! ! R23 R(16,17) 1.3892 -DE/DX = 0.0 ! ! R24 R(16,19) 1.0773 -DE/DX = 0.0 ! ! R25 R(16,23) 1.3929 -DE/DX = 0.0 ! ! R26 R(17,20) 1.0773 -DE/DX = 0.0 ! ! R27 R(17,22) 1.3929 -DE/DX = 0.0 ! ! A1 A(2,1,3) 119.2218 -DE/DX = 0.0 ! ! A2 A(2,1,9) 115.5335 -DE/DX = 0.0 ! ! A3 A(2,1,16) 99.651 -DE/DX = 0.0 ! ! A4 A(3,1,9) 120.251 -DE/DX = 0.0 ! ! A5 A(3,1,16) 98.9691 -DE/DX = 0.0 ! ! A6 A(9,1,16) 93.7235 -DE/DX = 0.0 ! ! A7 A(1,3,4) 120.2857 -DE/DX = 0.0 ! ! A8 A(1,3,5) 118.4539 -DE/DX = 0.0 ! ! A9 A(4,3,5) 119.7788 -DE/DX = 0.0 ! ! A10 A(3,5,6) 119.7788 -DE/DX = 0.0 ! ! A11 A(3,5,7) 118.4539 -DE/DX = 0.0 ! ! A12 A(6,5,7) 120.2857 -DE/DX = 0.0 ! ! A13 A(5,7,8) 119.2218 -DE/DX = 0.0 ! ! A14 A(5,7,12) 120.251 -DE/DX = 0.0 ! ! A15 A(5,7,17) 98.9691 -DE/DX = 0.0 ! ! A16 A(8,7,12) 115.5335 -DE/DX = 0.0 ! ! A17 A(8,7,17) 99.651 -DE/DX = 0.0 ! ! A18 A(12,7,17) 93.7235 -DE/DX = 0.0 ! ! A19 A(1,9,10) 107.6855 -DE/DX = 0.0 ! ! A20 A(1,9,11) 109.492 -DE/DX = 0.0 ! ! A21 A(1,9,12) 112.7304 -DE/DX = 0.0 ! ! A22 A(10,9,11) 105.6691 -DE/DX = 0.0 ! ! A23 A(10,9,12) 109.2791 -DE/DX = 0.0 ! ! A24 A(11,9,12) 111.6653 -DE/DX = 0.0 ! ! A25 A(9,11,21) 123.5113 -DE/DX = 0.0 ! ! A26 A(7,12,9) 112.7304 -DE/DX = 0.0 ! ! A27 A(7,12,13) 107.6855 -DE/DX = 0.0 ! ! A28 A(7,12,14) 109.492 -DE/DX = 0.0 ! ! A29 A(9,12,13) 109.2791 -DE/DX = 0.0 ! ! A30 A(9,12,14) 111.6653 -DE/DX = 0.0 ! ! A31 A(13,12,14) 105.6691 -DE/DX = 0.0 ! ! A32 A(12,14,21) 123.5113 -DE/DX = 0.0 ! ! A33 A(18,15,21) 110.0605 -DE/DX = 0.0 ! ! A34 A(18,15,22) 109.7874 -DE/DX = 0.0 ! ! A35 A(18,15,23) 109.7874 -DE/DX = 0.0 ! ! A36 A(21,15,22) 109.8868 -DE/DX = 0.0 ! ! A37 A(21,15,23) 109.8868 -DE/DX = 0.0 ! ! A38 A(22,15,23) 107.3905 -DE/DX = 0.0 ! ! A39 A(1,16,17) 106.8162 -DE/DX = 0.0 ! ! A40 A(1,16,19) 88.4724 -DE/DX = 0.0 ! ! A41 A(1,16,23) 106.8894 -DE/DX = 0.0 ! ! A42 A(17,16,19) 127.1126 -DE/DX = 0.0 ! ! A43 A(17,16,23) 108.9925 -DE/DX = 0.0 ! ! A44 A(19,16,23) 114.2776 -DE/DX = 0.0 ! ! A45 A(7,17,16) 106.8162 -DE/DX = 0.0 ! ! A46 A(7,17,20) 88.4724 -DE/DX = 0.0 ! ! A47 A(7,17,22) 106.8894 -DE/DX = 0.0 ! ! A48 A(16,17,20) 127.1126 -DE/DX = 0.0 ! ! A49 A(16,17,22) 108.9925 -DE/DX = 0.0 ! ! A50 A(20,17,22) 114.2776 -DE/DX = 0.0 ! ! A51 A(11,21,14) 60.4774 -DE/DX = 0.0 ! ! A52 A(11,21,15) 104.5065 -DE/DX = 0.0 ! ! A53 A(14,21,15) 104.5065 -DE/DX = 0.0 ! ! A54 A(15,22,17) 106.8819 -DE/DX = 0.0 ! ! A55 A(15,23,16) 106.8819 -DE/DX = 0.0 ! ! D1 D(2,1,3,4) -5.5884 -DE/DX = 0.0 ! ! D2 D(2,1,3,5) -171.6751 -DE/DX = 0.0 ! ! D3 D(9,1,3,4) -159.4828 -DE/DX = 0.0 ! ! D4 D(9,1,3,5) 34.4305 -DE/DX = 0.0 ! ! D5 D(16,1,3,4) 100.8365 -DE/DX = 0.0 ! ! D6 D(16,1,3,5) -65.2502 -DE/DX = 0.0 ! ! D7 D(2,1,9,10) -66.8069 -DE/DX = 0.0 ! ! D8 D(2,1,9,11) 47.6229 -DE/DX = 0.0 ! ! D9 D(2,1,9,12) 172.5751 -DE/DX = 0.0 ! ! D10 D(3,1,9,10) 88.0049 -DE/DX = 0.0 ! ! D11 D(3,1,9,11) -157.5653 -DE/DX = 0.0 ! ! D12 D(3,1,9,12) -32.6132 -DE/DX = 0.0 ! ! D13 D(16,1,9,10) -169.3558 -DE/DX = 0.0 ! ! D14 D(16,1,9,11) -54.926 -DE/DX = 0.0 ! ! D15 D(16,1,9,12) 70.0262 -DE/DX = 0.0 ! ! D16 D(2,1,16,17) 178.4052 -DE/DX = 0.0 ! ! D17 D(2,1,16,19) 49.9061 -DE/DX = 0.0 ! ! D18 D(2,1,16,23) -65.0389 -DE/DX = 0.0 ! ! D19 D(3,1,16,17) 56.5233 -DE/DX = 0.0 ! ! D20 D(3,1,16,19) -71.9758 -DE/DX = 0.0 ! ! D21 D(3,1,16,23) 173.0792 -DE/DX = 0.0 ! ! D22 D(9,1,16,17) -64.9013 -DE/DX = 0.0 ! ! D23 D(9,1,16,19) 166.5996 -DE/DX = 0.0 ! ! D24 D(9,1,16,23) 51.6546 -DE/DX = 0.0 ! ! D25 D(1,3,5,6) 166.1591 -DE/DX = 0.0 ! ! D26 D(1,3,5,7) 0.0 -DE/DX = 0.0 ! ! D27 D(4,3,5,6) 0.0 -DE/DX = 0.0 ! ! D28 D(4,3,5,7) -166.1591 -DE/DX = 0.0 ! ! D29 D(3,5,7,8) 171.6751 -DE/DX = 0.0 ! ! D30 D(3,5,7,12) -34.4305 -DE/DX = 0.0 ! ! D31 D(3,5,7,17) 65.2503 -DE/DX = 0.0 ! ! D32 D(6,5,7,8) 5.5884 -DE/DX = 0.0 ! ! D33 D(6,5,7,12) 159.4828 -DE/DX = 0.0 ! ! D34 D(6,5,7,17) -100.8364 -DE/DX = 0.0 ! ! D35 D(5,7,12,9) 32.6132 -DE/DX = 0.0 ! ! D36 D(5,7,12,13) -88.0048 -DE/DX = 0.0 ! ! D37 D(5,7,12,14) 157.5654 -DE/DX = 0.0 ! ! D38 D(8,7,12,9) -172.575 -DE/DX = 0.0 ! ! D39 D(8,7,12,13) 66.8069 -DE/DX = 0.0 ! ! D40 D(8,7,12,14) -47.6229 -DE/DX = 0.0 ! ! D41 D(17,7,12,9) -70.0262 -DE/DX = 0.0 ! ! D42 D(17,7,12,13) 169.3558 -DE/DX = 0.0 ! ! D43 D(17,7,12,14) 54.926 -DE/DX = 0.0 ! ! D44 D(5,7,17,16) -56.5233 -DE/DX = 0.0 ! ! D45 D(5,7,17,20) 71.9758 -DE/DX = 0.0 ! ! D46 D(5,7,17,22) -173.0792 -DE/DX = 0.0 ! ! D47 D(8,7,17,16) -178.4052 -DE/DX = 0.0 ! ! D48 D(8,7,17,20) -49.9061 -DE/DX = 0.0 ! ! D49 D(8,7,17,22) 65.0389 -DE/DX = 0.0 ! ! D50 D(12,7,17,16) 64.9013 -DE/DX = 0.0 ! ! D51 D(12,7,17,20) -166.5996 -DE/DX = 0.0 ! ! D52 D(12,7,17,22) -51.6546 -DE/DX = 0.0 ! ! D53 D(1,9,11,21) 101.4846 -DE/DX = 0.0 ! ! D54 D(10,9,11,21) -142.7944 -DE/DX = 0.0 ! ! D55 D(12,9,11,21) -24.0823 -DE/DX = 0.0 ! ! D56 D(1,9,12,7) 0.0 -DE/DX = 0.0 ! ! D57 D(1,9,12,13) 119.7013 -DE/DX = 0.0 ! ! D58 D(1,9,12,14) -123.7584 -DE/DX = 0.0 ! ! D59 D(10,9,12,7) -119.7014 -DE/DX = 0.0 ! ! D60 D(10,9,12,13) 0.0 -DE/DX = 0.0 ! ! D61 D(10,9,12,14) 116.5402 -DE/DX = 0.0 ! ! D62 D(11,9,12,7) 123.7583 -DE/DX = 0.0 ! ! D63 D(11,9,12,13) -116.5403 -DE/DX = 0.0 ! ! D64 D(11,9,12,14) 0.0 -DE/DX = 0.0 ! ! D65 D(9,11,21,14) 26.0368 -DE/DX = 0.0 ! ! D66 D(9,11,21,15) -72.6379 -DE/DX = 0.0 ! ! D67 D(7,12,14,21) -101.4846 -DE/DX = 0.0 ! ! D68 D(9,12,14,21) 24.0824 -DE/DX = 0.0 ! ! D69 D(13,12,14,21) 142.7945 -DE/DX = 0.0 ! ! D70 D(12,14,21,11) -26.0368 -DE/DX = 0.0 ! ! D71 D(12,14,21,15) 72.6379 -DE/DX = 0.0 ! ! D72 D(18,15,21,11) -148.6551 -DE/DX = 0.0 ! ! D73 D(18,15,21,14) 148.6551 -DE/DX = 0.0 ! ! D74 D(22,15,21,11) 90.3245 -DE/DX = 0.0 ! ! D75 D(22,15,21,14) 27.6348 -DE/DX = 0.0 ! ! D76 D(23,15,21,11) -27.6348 -DE/DX = 0.0 ! ! D77 D(23,15,21,14) -90.3245 -DE/DX = 0.0 ! ! D78 D(18,15,22,17) 128.395 -DE/DX = 0.0 ! ! D79 D(21,15,22,17) -110.4205 -DE/DX = 0.0 ! ! D80 D(23,15,22,17) 9.0751 -DE/DX = 0.0 ! ! D81 D(18,15,23,16) -128.395 -DE/DX = 0.0 ! ! D82 D(21,15,23,16) 110.4205 -DE/DX = 0.0 ! ! D83 D(22,15,23,16) -9.0751 -DE/DX = 0.0 ! ! D84 D(1,16,17,7) 0.0 -DE/DX = 0.0 ! ! D85 D(1,16,17,20) -101.172 -DE/DX = 0.0 ! ! D86 D(1,16,17,22) 115.1506 -DE/DX = 0.0 ! ! D87 D(19,16,17,7) 101.1719 -DE/DX = 0.0 ! ! D88 D(19,16,17,20) 0.0 -DE/DX = 0.0 ! ! D89 D(19,16,17,22) -143.6775 -DE/DX = 0.0 ! ! D90 D(23,16,17,7) -115.1506 -DE/DX = 0.0 ! ! D91 D(23,16,17,20) 143.6775 -DE/DX = 0.0 ! ! D92 D(23,16,17,22) 0.0 -DE/DX = 0.0 ! ! D93 D(1,16,23,15) -109.4353 -DE/DX = 0.0 ! ! D94 D(17,16,23,15) 5.668 -DE/DX = 0.0 ! ! D95 D(19,16,23,15) 154.4578 -DE/DX = 0.0 ! ! D96 D(7,17,22,15) 109.4353 -DE/DX = 0.0 ! ! D97 D(16,17,22,15) -5.668 -DE/DX = 0.0 ! ! D98 D(20,17,22,15) -154.4577 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.194039 -1.364523 0.078166 2 1 0 -1.088634 -2.444689 -0.012418 3 6 0 -2.109598 -0.703854 -0.726774 4 1 0 -2.649199 -1.244343 -1.502079 5 6 0 -2.109590 0.703902 -0.726747 6 1 0 -2.649185 1.244427 -1.502031 7 6 0 -1.194023 1.364530 0.078218 8 1 0 -1.088607 2.444698 -0.012324 9 6 0 -0.792370 -0.779116 1.416655 10 1 0 -1.507618 -1.141947 2.167872 11 1 0 0.181011 -1.183585 1.715250 12 6 0 -0.792362 0.779067 1.416685 13 1 0 -1.507607 1.141876 2.167916 14 1 0 0.181023 1.183514 1.715296 15 6 0 2.404078 -0.000021 0.418706 16 6 0 0.758536 -0.694597 -0.971012 17 6 0 0.758543 0.694625 -0.970985 18 1 0 3.487506 -0.000023 0.240450 19 1 0 0.506234 -1.344586 -1.792210 20 1 0 0.506247 1.344648 -1.792159 21 1 0 2.199765 -0.000041 1.498209 22 8 0 1.815934 1.147917 -0.185730 23 8 0 1.815922 -1.147930 -0.185774 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089070 0.000000 3 C 1.386600 2.140835 0.000000 4 H 2.151536 2.468862 1.088299 0.000000 5 C 2.400938 3.386184 1.407757 2.165174 0.000000 6 H 3.379511 4.273622 2.165174 2.488770 1.088299 7 C 2.729053 3.811754 2.400938 3.379511 1.386600 8 H 3.811754 4.889387 3.386184 4.273622 2.140835 9 C 1.515121 2.214533 2.516951 3.490452 2.920374 10 H 2.124793 2.574170 2.988859 3.844767 3.485448 11 H 2.145587 2.487412 3.382382 4.285438 3.843541 12 C 2.558897 3.538744 2.920374 4.007645 2.516951 13 H 3.278325 4.218156 3.485447 4.523951 2.988859 14 H 3.326182 4.214366 3.843541 4.925053 3.382383 15 C 3.863195 4.285009 4.709647 5.547374 4.709646 16 C 2.315625 2.719147 2.878529 3.492407 3.200252 17 C 3.025455 3.766457 3.200252 3.956559 2.878528 18 H 4.879043 5.194362 5.723502 6.499529 5.723501 19 H 2.527772 2.630873 2.896250 3.170328 3.489133 20 H 3.705225 4.479977 3.489133 4.091926 2.896250 21 H 3.923804 4.367135 4.900664 5.836306 4.900664 22 O 3.929622 4.623134 4.373967 5.233841 3.987429 23 O 3.029264 3.185606 3.987429 4.656099 4.373966 6 7 8 9 10 6 H 0.000000 7 C 2.151536 0.000000 8 H 2.468862 1.089070 0.000000 9 C 4.007645 2.558897 3.538744 0.000000 10 H 4.523952 3.278326 4.218157 1.098888 0.000000 11 H 4.925053 3.326181 4.214366 1.095548 1.748734 12 C 3.490452 1.515121 2.214533 1.558182 2.183155 13 H 3.844766 2.124793 2.574170 2.183155 2.283823 14 H 4.285439 2.145587 2.487412 2.211017 2.909313 15 C 5.547373 3.863193 4.285007 3.438047 4.434517 16 C 3.956559 3.025454 3.766456 2.848404 3.897200 17 C 3.492406 2.315624 2.719145 3.205942 4.284962 18 H 6.499529 4.879041 5.194359 4.506416 5.474506 19 H 4.091926 3.705224 4.479976 3.507555 4.447349 20 H 3.170327 2.527771 2.630871 4.061190 5.091233 21 H 5.836305 3.923803 4.367133 3.092972 3.936634 22 O 4.656098 3.029263 3.185604 3.617228 4.672143 23 O 5.233841 3.929621 4.623133 3.083341 4.072543 11 12 13 14 15 11 H 0.000000 12 C 2.211017 0.000000 13 H 2.909314 1.098888 0.000000 14 H 2.367099 1.095548 1.748734 0.000000 15 C 2.832644 3.438047 4.434517 2.832644 0.000000 16 C 2.790814 3.205942 4.284962 3.328223 2.263086 17 C 3.328223 2.848403 3.897199 2.790815 2.263086 18 H 3.809037 4.506415 5.474506 3.809037 1.097995 19 H 3.526183 4.061190 5.091232 4.335857 3.209021 20 H 4.335857 3.507556 4.447349 3.526184 3.209021 21 H 2.350159 3.092972 3.936634 2.350159 1.098668 22 O 3.423828 3.083341 4.072543 2.507609 1.424436 23 O 2.507608 3.617228 4.672143 3.423828 1.424436 16 17 18 19 20 16 C 0.000000 17 C 1.389221 0.000000 18 H 3.065510 3.065510 0.000000 19 H 1.077270 2.212793 3.850655 0.000000 20 H 2.212792 1.077270 3.850654 2.689234 0.000000 21 H 2.942210 2.942210 1.800066 3.937348 3.937348 22 O 2.264865 1.392902 2.072088 3.241707 2.081969 23 O 1.392902 2.264865 2.072088 2.081969 3.241707 21 22 23 21 H 0.000000 22 O 2.073833 0.000000 23 O 2.073833 2.295847 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 -1.194042 -1.364528 0.078200 2 1 0 -1.088632 -2.444693 -0.012384 3 6 0 -2.109605 -0.703864 -0.726740 4 1 0 -2.649203 -1.244355 -1.502045 5 6 0 -2.109604 0.703893 -0.726713 6 1 0 -2.649201 1.244415 -1.501997 7 6 0 -1.194040 1.364525 0.078252 8 1 0 -1.088630 2.444694 -0.012290 9 6 0 -0.792376 -0.779119 1.416689 10 1 0 -1.507623 -1.141953 2.167906 11 1 0 0.181007 -1.183583 1.715284 12 6 0 -0.792376 0.779064 1.416719 13 1 0 -1.507623 1.141870 2.167950 14 1 0 0.181007 1.183516 1.715330 15 6 0 2.404068 -0.000008 0.418740 16 6 0 0.758529 -0.694592 -0.970978 17 6 0 0.758529 0.694629 -0.970951 18 1 0 3.487496 -0.000005 0.240484 19 1 0 0.506230 -1.344582 -1.792177 20 1 0 0.506231 1.344651 -1.792125 21 1 0 2.199755 -0.000029 1.498243 22 8 0 1.815918 1.147927 -0.185696 23 8 0 1.815918 -1.147920 -0.185740 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100393 1.0127350 0.9486815 ********************************************************************** 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 -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 Alpha occ. eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00699 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12246 0.12316 0.13517 0.14424 0.14525 Alpha virt. eigenvalues -- 0.16394 0.17144 0.17764 0.19270 0.19777 Alpha virt. eigenvalues -- 0.20300 0.22888 0.23611 0.24272 0.24911 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50830 0.52316 Alpha virt. eigenvalues -- 0.54653 0.54787 0.54867 0.56891 0.57934 Alpha virt. eigenvalues -- 0.60743 0.61335 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71283 0.72293 0.74094 0.75190 Alpha virt. eigenvalues -- 0.77536 0.79574 0.79877 0.81071 0.82847 Alpha virt. eigenvalues -- 0.84210 0.85443 0.86451 0.88060 0.88445 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91385 0.93716 Alpha virt. eigenvalues -- 0.94030 0.95123 1.00793 1.01440 1.02295 Alpha virt. eigenvalues -- 1.02724 1.09208 1.09920 1.11414 1.14919 Alpha virt. eigenvalues -- 1.15187 1.18946 1.20406 1.25129 1.26438 Alpha virt. eigenvalues -- 1.36726 1.37046 1.39832 1.42703 1.43216 Alpha virt. eigenvalues -- 1.43859 1.47573 1.49204 1.52643 1.58531 Alpha virt. eigenvalues -- 1.63999 1.66109 1.72044 1.72342 1.75844 Alpha virt. eigenvalues -- 1.77089 1.79419 1.86000 1.87778 1.88534 Alpha virt. eigenvalues -- 1.90842 1.93561 1.95824 1.97652 1.97837 Alpha virt. eigenvalues -- 1.98100 2.00053 2.01936 2.04161 2.08890 Alpha virt. eigenvalues -- 2.12023 2.14082 2.16018 2.23013 2.25487 Alpha virt. eigenvalues -- 2.26202 2.27992 2.29193 2.30960 2.31855 Alpha virt. eigenvalues -- 2.37116 2.40151 2.43435 2.44808 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52224 2.54538 2.59889 2.62741 Alpha virt. eigenvalues -- 2.64517 2.67568 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76591 2.80389 2.86686 2.87995 2.94456 Alpha virt. eigenvalues -- 3.10576 3.13119 4.00621 4.10575 4.12767 Alpha virt. eigenvalues -- 4.25203 4.26809 4.36206 4.37018 4.44858 Alpha virt. eigenvalues -- 4.48935 4.64965 4.87449 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 1 1 C 1S -0.00002 -0.00001 0.00004 -0.00011 0.00022 2 2S -0.00013 -0.00008 0.00012 -0.00041 0.00085 3 2PX 0.00000 0.00002 0.00003 -0.00010 0.00008 4 2PY 0.00000 0.00000 0.00006 -0.00008 0.00015 5 2PZ 0.00000 0.00001 0.00003 -0.00003 0.00010 6 3S 0.00105 0.00046 -0.00079 0.00148 -0.00369 7 3PX 0.00001 -0.00013 -0.00019 0.00090 -0.00076 8 3PY 0.00047 0.00014 -0.00067 0.00037 -0.00137 9 3PZ 0.00001 -0.00024 -0.00037 0.00000 0.00002 10 4XX 0.00002 0.00002 0.00004 -0.00005 0.00013 11 4YY -0.00001 -0.00001 0.00004 -0.00020 0.00028 12 4ZZ -0.00002 0.00000 0.00003 -0.00013 0.00020 13 4XY -0.00001 -0.00001 -0.00002 0.00007 -0.00010 14 4XZ 0.00002 0.00000 -0.00003 -0.00009 0.00012 15 4YZ 0.00001 -0.00001 -0.00002 -0.00003 0.00005 16 2 H 1S -0.00001 -0.00001 -0.00002 -0.00006 0.00005 17 2S 0.00010 0.00002 -0.00025 -0.00007 -0.00001 18 3 C 1S 0.00002 0.00001 -0.00002 -0.00008 0.00004 19 2S 0.00010 0.00006 -0.00007 -0.00010 0.00006 20 2PX 0.00001 0.00000 -0.00002 -0.00007 0.00005 21 2PY -0.00001 0.00001 -0.00005 -0.00001 0.00000 22 2PZ -0.00001 -0.00002 0.00001 0.00003 0.00001 23 3S -0.00106 -0.00049 0.00019 0.00041 0.00110 24 3PX -0.00043 -0.00018 0.00024 -0.00002 0.00054 25 3PY -0.00024 0.00011 0.00025 -0.00017 0.00035 26 3PZ -0.00028 -0.00006 0.00019 -0.00007 0.00056 27 4XX 0.00001 0.00000 -0.00001 -0.00006 0.00003 28 4YY 0.00002 0.00002 -0.00003 -0.00006 0.00005 29 4ZZ 0.00003 0.00003 -0.00003 -0.00007 0.00004 30 4XY 0.00000 0.00001 0.00001 -0.00002 0.00001 31 4XZ -0.00002 -0.00002 0.00002 0.00000 -0.00001 32 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 33 4 H 1S 0.00000 0.00002 0.00003 0.00001 0.00002 34 2S -0.00010 0.00001 0.00012 -0.00020 0.00028 35 5 C 1S -0.00002 0.00001 -0.00002 -0.00008 -0.00004 36 2S -0.00009 0.00006 -0.00007 -0.00010 -0.00006 37 2PX -0.00001 0.00000 -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 0.00105 -0.00051 0.00019 0.00041 -0.00110 41 3PX 0.00043 -0.00019 0.00024 -0.00002 -0.00054 42 3PY -0.00025 -0.00011 -0.00025 0.00017 0.00035 43 3PZ 0.00028 -0.00006 0.00019 -0.00007 -0.00056 44 4XX -0.00001 0.00000 -0.00001 -0.00006 -0.00003 45 4YY -0.00002 0.00002 -0.00003 -0.00006 -0.00005 46 4ZZ -0.00003 0.00003 -0.00003 -0.00007 -0.00004 47 4XY 0.00000 -0.00001 -0.00001 0.00002 0.00001 48 4XZ 0.00002 -0.00002 0.00002 0.00000 0.00001 49 4YZ 0.00001 0.00000 0.00000 0.00006 0.00006 50 6 H 1S 0.00000 0.00002 0.00003 0.00001 -0.00002 51 2S 0.00010 0.00001 0.00012 -0.00020 -0.00028 52 7 C 1S 0.00002 -0.00001 0.00004 -0.00011 -0.00022 53 2S 0.00013 -0.00008 0.00012 -0.00041 -0.00085 54 2PX 0.00000 0.00002 0.00003 -0.00010 -0.00008 55 2PY 0.00000 0.00000 -0.00006 0.00008 0.00015 56 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 57 3S -0.00104 0.00048 -0.00079 0.00148 0.00369 58 3PX -0.00001 -0.00013 -0.00019 0.00090 0.00076 59 3PY 0.00047 -0.00015 0.00067 -0.00037 -0.00137 60 3PZ -0.00002 -0.00024 -0.00037 0.00000 -0.00002 61 4XX -0.00002 0.00002 0.00004 -0.00005 -0.00013 62 4YY 0.00001 -0.00001 0.00004 -0.00020 -0.00028 63 4ZZ 0.00002 0.00000 0.00003 -0.00013 -0.00020 64 4XY -0.00001 0.00001 0.00002 -0.00007 -0.00010 65 4XZ -0.00002 0.00000 -0.00003 -0.00009 -0.00012 66 4YZ 0.00001 0.00001 0.00002 0.00003 0.00005 67 8 H 1S 0.00001 -0.00001 -0.00002 -0.00006 -0.00005 68 2S -0.00010 0.00003 -0.00025 -0.00007 0.00001 69 9 C 1S 0.00001 -0.00001 -0.00002 -0.00010 0.00014 70 2S 0.00003 -0.00005 -0.00005 -0.00012 0.00029 71 2PX 0.00003 0.00000 -0.00006 -0.00013 0.00015 72 2PY 0.00001 -0.00001 -0.00004 -0.00004 -0.00001 73 2PZ -0.00003 -0.00002 0.00000 0.00020 -0.00027 74 3S -0.00036 0.00034 0.00051 -0.00023 -0.00029 75 3PX 0.00004 0.00011 0.00002 0.00054 -0.00141 76 3PY -0.00018 -0.00008 -0.00001 0.00019 -0.00084 77 3PZ 0.00045 0.00008 -0.00041 -0.00027 0.00056 78 4XX 0.00003 0.00000 -0.00003 -0.00006 0.00011 79 4YY 0.00000 -0.00001 -0.00002 -0.00010 0.00010 80 4ZZ -0.00001 -0.00003 0.00002 -0.00011 0.00016 81 4XY 0.00000 0.00000 -0.00002 -0.00001 -0.00005 82 4XZ -0.00003 -0.00001 0.00003 0.00001 -0.00003 83 4YZ 0.00001 0.00000 0.00001 0.00004 0.00003 84 10 H 1S -0.00002 -0.00002 0.00001 0.00005 -0.00013 85 2S -0.00012 -0.00003 0.00012 0.00049 -0.00082 86 11 H 1S 0.00009 0.00004 -0.00007 -0.00004 0.00018 87 2S -0.00031 -0.00032 0.00010 -0.00027 0.00023 88 12 C 1S -0.00001 -0.00001 -0.00002 -0.00010 -0.00014 89 2S -0.00003 -0.00005 -0.00005 -0.00012 -0.00029 90 2PX -0.00003 0.00000 -0.00006 -0.00013 -0.00015 91 2PY 0.00001 0.00001 0.00004 0.00004 -0.00001 92 2PZ 0.00003 -0.00002 0.00000 0.00020 0.00028 93 3S 0.00037 0.00033 0.00051 -0.00023 0.00029 94 3PX -0.00004 0.00012 0.00002 0.00054 0.00141 95 3PY -0.00018 0.00008 0.00001 -0.00019 -0.00084 96 3PZ -0.00045 0.00009 -0.00041 -0.00027 -0.00056 97 4XX -0.00003 0.00000 -0.00003 -0.00006 -0.00011 98 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 99 4ZZ 0.00000 -0.00003 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 0.00001 0.00000 -0.00001 -0.00004 0.00003 103 13 H 1S 0.00002 -0.00002 0.00001 0.00005 0.00013 104 2S 0.00012 -0.00003 0.00012 0.00049 0.00082 105 14 H 1S -0.00009 0.00004 -0.00007 -0.00004 -0.00018 106 2S 0.00030 -0.00033 0.00010 -0.00027 -0.00023 107 15 C 1S 0.00000 0.00002 0.99303 0.00001 0.00000 108 2S 0.00000 0.00035 0.04864 -0.00058 0.00000 109 2PX 0.00000 -0.00016 -0.00077 -0.00008 0.00000 110 2PY -0.00042 0.00000 0.00000 0.00000 -0.00008 111 2PZ 0.00000 -0.00021 -0.00067 -0.00010 0.00000 112 3S -0.00003 -0.00286 -0.01350 0.00274 0.00000 113 3PX 0.00000 0.00043 0.00060 -0.00136 0.00000 114 3PY 0.00114 -0.00001 0.00000 0.00000 -0.00025 115 3PZ 0.00001 0.00058 -0.00001 -0.00099 0.00000 116 4XX 0.00000 0.00008 -0.00875 0.00007 0.00000 117 4YY 0.00000 0.00039 -0.00875 0.00003 0.00000 118 4ZZ 0.00000 0.00010 -0.00878 0.00002 0.00000 119 4XY 0.00013 0.00000 0.00000 0.00000 -0.00002 120 4XZ 0.00000 0.00009 0.00006 0.00025 0.00000 121 4YZ 0.00017 0.00000 0.00000 0.00000 -0.00003 122 16 C 1S 0.00001 0.00000 -0.00012 0.70204 -0.70236 123 2S 0.00018 0.00026 -0.00038 0.03460 -0.03560 124 2PX 0.00022 0.00015 0.00006 0.00041 -0.00036 125 2PY -0.00009 -0.00012 -0.00014 -0.00024 -0.00010 126 2PZ 0.00017 0.00012 0.00002 0.00060 -0.00067 127 3S -0.00179 -0.00137 0.00089 -0.00716 0.01899 128 3PX -0.00101 -0.00044 0.00066 0.00005 0.00024 129 3PY 0.00042 0.00049 0.00057 0.00047 0.00480 130 3PZ -0.00092 -0.00030 0.00080 -0.00080 0.00264 131 4XX 0.00011 0.00006 0.00007 -0.00639 0.00611 132 4YY 0.00015 -0.00001 -0.00003 -0.00645 0.00589 133 4ZZ 0.00006 0.00001 -0.00003 -0.00635 0.00604 134 4XY -0.00004 -0.00007 0.00004 -0.00009 -0.00002 135 4XZ 0.00006 0.00004 0.00018 0.00019 -0.00019 136 4YZ -0.00003 -0.00007 0.00000 0.00007 -0.00001 137 17 C 1S -0.00001 0.00000 -0.00012 0.70202 0.70238 138 2S -0.00017 0.00026 -0.00038 0.03460 0.03560 139 2PX -0.00021 0.00016 0.00006 0.00041 0.00036 140 2PY -0.00009 0.00012 0.00014 0.00024 -0.00010 141 2PZ -0.00017 0.00012 0.00002 0.00060 0.00067 142 3S 0.00176 -0.00141 0.00089 -0.00716 -0.01899 143 3PX 0.00100 -0.00046 0.00066 0.00005 -0.00024 144 3PY 0.00041 -0.00050 -0.00057 -0.00047 0.00480 145 3PZ 0.00091 -0.00032 0.00080 -0.00080 -0.00264 146 4XX -0.00011 0.00006 0.00007 -0.00639 -0.00611 147 4YY -0.00015 0.00000 -0.00003 -0.00645 -0.00589 148 4ZZ -0.00006 0.00001 -0.00003 -0.00635 -0.00604 149 4XY -0.00004 0.00007 -0.00004 0.00009 -0.00002 150 4XZ -0.00006 0.00004 0.00018 0.00019 0.00019 151 4YZ -0.00003 0.00007 0.00000 -0.00007 -0.00001 152 18 H 1S 0.00000 0.00018 -0.00018 -0.00007 0.00000 153 2S 0.00000 0.00013 0.00240 0.00015 0.00000 154 19 H 1S 0.00004 0.00011 0.00006 -0.00026 0.00012 155 2S -0.00006 0.00011 0.00039 0.00139 -0.00070 156 20 H 1S -0.00004 0.00011 0.00006 -0.00026 -0.00012 157 2S 0.00006 0.00011 0.00039 0.00139 0.00070 158 21 H 1S 0.00000 0.00011 -0.00007 -0.00013 0.00000 159 2S 0.00000 0.00017 0.00276 -0.00005 0.00000 160 22 O 1S -0.69490 0.70892 -0.00007 -0.00003 -0.00014 161 2S -0.01797 0.01842 0.00001 0.00009 -0.00035 162 2PX 0.00018 -0.00019 -0.00009 0.00008 0.00006 163 2PY 0.00063 -0.00061 0.00000 -0.00004 0.00003 164 2PZ 0.00008 -0.00006 -0.00006 0.00006 0.00002 165 3S -0.00938 0.00929 0.00114 0.00000 0.00351 166 3PX 0.00033 -0.00018 0.00053 -0.00028 -0.00045 167 3PY 0.00020 -0.00034 0.00039 0.00072 -0.00031 168 3PZ 0.00011 -0.00011 0.00039 -0.00014 0.00008 169 4XX 0.00577 -0.00585 -0.00010 -0.00015 -0.00038 170 4YY 0.00578 -0.00596 -0.00050 -0.00004 -0.00038 171 4ZZ 0.00577 -0.00586 -0.00002 -0.00008 -0.00034 172 4XY -0.00001 0.00000 0.00016 -0.00009 -0.00017 173 4XZ 0.00001 -0.00004 -0.00020 -0.00032 -0.00037 174 4YZ -0.00001 0.00001 0.00020 -0.00004 -0.00013 175 23 O 1S 0.70891 0.69491 -0.00007 -0.00003 0.00014 176 2S 0.01833 0.01806 0.00001 0.00009 0.00035 177 2PX -0.00019 -0.00018 -0.00009 0.00008 -0.00006 178 2PY 0.00064 0.00060 0.00000 0.00004 0.00003 179 2PZ -0.00008 -0.00005 -0.00006 0.00006 -0.00002 180 3S 0.00956 0.00910 0.00114 0.00000 -0.00351 181 3PX -0.00033 -0.00017 0.00053 -0.00028 0.00045 182 3PY 0.00020 0.00033 -0.00039 -0.00072 -0.00031 183 3PZ -0.00011 -0.00010 0.00039 -0.00014 -0.00008 184 4XX -0.00589 -0.00574 -0.00010 -0.00015 0.00038 185 4YY -0.00590 -0.00584 -0.00050 -0.00004 0.00038 186 4ZZ -0.00589 -0.00574 -0.00002 -0.00008 0.00034 187 4XY -0.00001 0.00000 -0.00016 0.00009 -0.00017 188 4XZ -0.00001 -0.00004 -0.00020 -0.00032 0.00037 189 4YZ -0.00001 -0.00001 -0.00020 0.00004 -0.00013 6 7 8 9 10 O O O O O Eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 1 1 C 1S 0.70270 0.70142 -0.01399 0.01383 -0.01235 2 2S 0.03652 0.03512 -0.00083 0.00073 -0.00083 3 2PX 0.00031 0.00011 -0.00001 -0.00004 0.00019 4 2PY 0.00052 0.00011 -0.00005 -0.00002 -0.00009 5 2PZ 0.00005 -0.00001 -0.00012 -0.00008 0.00010 6 3S -0.02209 -0.01252 0.00286 -0.00391 0.00250 7 3PX 0.00038 -0.00019 0.00061 -0.00047 -0.00092 8 3PY -0.00666 -0.00112 0.00038 -0.00097 0.00061 9 3PZ -0.00040 -0.00005 0.00168 -0.00178 -0.00083 10 4XX -0.00597 -0.00640 -0.00001 -0.00007 -0.00002 11 4YY -0.00586 -0.00620 0.00008 -0.00004 0.00009 12 4ZZ -0.00601 -0.00633 -0.00013 0.00010 0.00000 13 4XY -0.00004 -0.00010 -0.00003 0.00007 0.00003 14 4XZ 0.00004 0.00016 -0.00004 0.00002 -0.00008 15 4YZ -0.00003 -0.00003 -0.00006 0.00003 0.00001 16 2 H 1S -0.00021 -0.00012 -0.00011 0.00006 -0.00004 17 2S 0.00025 0.00169 -0.00002 0.00006 0.00009 18 3 C 1S 0.01177 0.01209 -0.00068 0.00056 0.70182 19 2S 0.00009 0.00020 -0.00022 0.00022 0.03485 20 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 21 2PY 0.00015 0.00006 -0.00007 -0.00004 -0.00014 22 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 23 3S 0.01074 0.00324 0.00052 -0.00042 -0.00762 24 3PX 0.00402 0.00118 0.00034 -0.00050 -0.00092 25 3PY 0.00107 -0.00043 -0.00003 0.00006 0.00067 26 3PZ 0.00431 0.00109 0.00032 -0.00030 -0.00042 27 4XX -0.00022 -0.00023 -0.00007 0.00004 -0.00672 28 4YY -0.00030 -0.00021 -0.00002 0.00003 -0.00677 29 4ZZ -0.00025 -0.00026 -0.00004 0.00003 -0.00665 30 4XY 0.00010 0.00013 -0.00007 0.00002 0.00000 31 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 32 4YZ 0.00009 0.00009 0.00000 -0.00005 0.00001 33 4 H 1S 0.00007 -0.00007 0.00001 -0.00001 -0.00031 34 2S 0.00114 0.00030 0.00026 -0.00024 0.00135 35 5 C 1S -0.01176 0.01211 -0.00068 -0.00056 0.70177 36 2S -0.00009 0.00020 -0.00022 -0.00022 0.03485 37 2PX 0.00000 -0.00013 -0.00005 -0.00008 0.00024 38 2PY 0.00015 -0.00006 0.00007 -0.00004 0.00014 39 2PZ 0.00013 -0.00016 -0.00011 -0.00007 -0.00002 40 3S -0.01073 0.00326 0.00052 0.00042 -0.00762 41 3PX -0.00402 0.00119 0.00034 0.00050 -0.00092 42 3PY 0.00107 0.00043 0.00003 0.00006 -0.00067 43 3PZ -0.00431 0.00110 0.00032 0.00030 -0.00042 44 4XX 0.00022 -0.00023 -0.00007 -0.00004 -0.00672 45 4YY 0.00030 -0.00021 -0.00002 -0.00003 -0.00677 46 4ZZ 0.00025 -0.00026 -0.00004 -0.00003 -0.00665 47 4XY 0.00010 -0.00013 0.00007 0.00002 0.00000 48 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 49 4YZ 0.00009 -0.00009 0.00000 -0.00005 -0.00001 50 6 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 51 2S -0.00114 0.00030 0.00026 0.00024 0.00135 52 7 C 1S -0.70173 0.70239 -0.01399 -0.01383 -0.01235 53 2S -0.03647 0.03517 -0.00083 -0.00073 -0.00083 54 2PX -0.00031 0.00011 -0.00001 0.00004 0.00019 55 2PY 0.00052 -0.00011 0.00005 -0.00002 0.00009 56 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 57 3S 0.02207 -0.01255 0.00286 0.00391 0.00250 58 3PX -0.00038 -0.00019 0.00061 0.00047 -0.00092 59 3PY -0.00666 0.00113 -0.00038 -0.00097 -0.00061 60 3PZ 0.00040 -0.00005 0.00168 0.00178 -0.00083 61 4XX 0.00596 -0.00641 -0.00001 0.00007 -0.00002 62 4YY 0.00585 -0.00621 0.00008 0.00004 0.00009 63 4ZZ 0.00600 -0.00634 -0.00013 -0.00010 0.00000 64 4XY -0.00004 0.00010 0.00003 0.00007 -0.00003 65 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 66 4YZ -0.00003 0.00003 0.00006 0.00003 -0.00001 67 8 H 1S 0.00021 -0.00012 -0.00011 -0.00006 -0.00004 68 2S -0.00025 0.00169 -0.00002 -0.00006 0.00009 69 9 C 1S 0.01369 0.01384 0.70200 -0.70220 0.00037 70 2S 0.00034 0.00050 0.03530 -0.03603 -0.00015 71 2PX 0.00010 0.00004 0.00001 -0.00002 0.00010 72 2PY 0.00007 0.00001 -0.00003 -0.00003 -0.00004 73 2PZ -0.00022 0.00005 -0.00014 0.00020 0.00004 74 3S 0.00755 0.00277 -0.01068 0.01973 0.00034 75 3PX -0.00213 -0.00038 -0.00002 0.00000 -0.00037 76 3PY 0.00037 -0.00041 0.00121 0.00268 -0.00002 77 3PZ -0.00303 -0.00127 0.00086 -0.00192 -0.00019 78 4XX -0.00016 -0.00023 -0.00627 0.00601 -0.00007 79 4YY -0.00021 -0.00025 -0.00664 0.00597 -0.00005 80 4ZZ -0.00019 -0.00033 -0.00637 0.00611 0.00000 81 4XY -0.00005 -0.00003 0.00000 0.00000 0.00001 82 4XZ -0.00007 -0.00006 -0.00003 0.00004 0.00004 83 4YZ -0.00015 -0.00017 -0.00006 -0.00005 0.00002 84 10 H 1S -0.00039 -0.00012 -0.00009 -0.00020 -0.00005 85 2S -0.00013 0.00014 0.00178 -0.00177 -0.00014 86 11 H 1S -0.00013 -0.00010 -0.00010 -0.00031 0.00001 87 2S 0.00060 0.00010 0.00220 -0.00211 0.00030 88 12 C 1S -0.01368 0.01386 0.70196 0.70225 0.00037 89 2S -0.00034 0.00051 0.03530 0.03603 -0.00015 90 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 91 2PY 0.00007 -0.00001 0.00003 -0.00003 0.00004 92 2PZ 0.00022 0.00005 -0.00014 -0.00020 0.00004 93 3S -0.00754 0.00278 -0.01068 -0.01973 0.00034 94 3PX 0.00213 -0.00039 -0.00002 0.00000 -0.00037 95 3PY 0.00037 0.00041 -0.00121 0.00268 0.00002 96 3PZ 0.00303 -0.00128 0.00086 0.00192 -0.00019 97 4XX 0.00016 -0.00023 -0.00627 -0.00601 -0.00007 98 4YY 0.00021 -0.00025 -0.00664 -0.00597 -0.00005 99 4ZZ 0.00019 -0.00033 -0.00637 -0.00611 0.00000 100 4XY -0.00005 0.00003 0.00000 0.00000 -0.00001 101 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 102 4YZ -0.00015 0.00017 0.00006 -0.00005 -0.00002 103 13 H 1S 0.00039 -0.00012 -0.00009 0.00020 -0.00005 104 2S 0.00013 0.00014 0.00178 0.00177 -0.00014 105 14 H 1S 0.00013 -0.00010 -0.00010 0.00031 0.00001 106 2S -0.00060 0.00010 0.00220 0.00211 0.00030 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 108 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 109 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 110 2PY -0.00012 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 112 3S 0.00000 -0.00087 0.00104 0.00000 0.00030 113 3PX 0.00000 0.00065 -0.00041 0.00000 0.00000 114 3PY 0.00024 0.00000 0.00000 -0.00026 0.00000 115 3PZ 0.00000 -0.00018 0.00032 0.00000 -0.00006 116 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 117 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 118 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 119 4XY 0.00005 0.00000 0.00000 0.00003 0.00000 120 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 121 4YZ -0.00004 0.00000 0.00000 0.00002 0.00000 122 16 C 1S -0.00019 -0.00010 0.00002 0.00002 0.00002 123 2S -0.00127 -0.00058 -0.00013 0.00039 -0.00005 124 2PX 0.00020 0.00010 0.00004 -0.00004 0.00014 125 2PY 0.00009 -0.00004 -0.00016 -0.00001 0.00000 126 2PZ -0.00006 -0.00003 -0.00015 0.00021 0.00000 127 3S 0.00924 0.00245 0.00024 -0.00368 -0.00014 128 3PX -0.00091 -0.00052 0.00033 -0.00111 -0.00080 129 3PY 0.00197 -0.00058 0.00049 -0.00201 0.00015 130 3PZ 0.00317 0.00066 0.00081 -0.00242 -0.00038 131 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 132 4YY -0.00025 -0.00016 -0.00008 0.00005 -0.00006 133 4ZZ -0.00024 -0.00016 -0.00008 0.00012 -0.00013 134 4XY -0.00005 0.00007 -0.00002 0.00005 0.00006 135 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 136 4YZ 0.00004 -0.00006 -0.00006 -0.00004 0.00006 137 17 C 1S 0.00019 -0.00010 0.00002 -0.00002 0.00002 138 2S 0.00127 -0.00058 -0.00013 -0.00039 -0.00005 139 2PX -0.00020 0.00010 0.00004 0.00004 0.00014 140 2PY 0.00009 0.00004 0.00016 -0.00001 0.00000 141 2PZ 0.00006 -0.00003 -0.00015 -0.00021 0.00000 142 3S -0.00924 0.00246 0.00024 0.00368 -0.00014 143 3PX 0.00091 -0.00052 0.00033 0.00111 -0.00080 144 3PY 0.00198 0.00058 -0.00049 -0.00201 -0.00015 145 3PZ -0.00317 0.00067 0.00081 0.00242 -0.00038 146 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 147 4YY 0.00025 -0.00016 -0.00008 -0.00005 -0.00006 148 4ZZ 0.00024 -0.00016 -0.00008 -0.00012 -0.00013 149 4XY -0.00005 -0.00007 0.00002 0.00005 -0.00006 150 4XZ 0.00003 -0.00007 0.00005 0.00009 -0.00008 151 4YZ 0.00004 0.00006 0.00006 -0.00004 -0.00006 152 18 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 153 2S 0.00000 -0.00026 0.00013 0.00000 -0.00005 154 19 H 1S -0.00022 -0.00014 0.00008 -0.00014 -0.00011 155 2S 0.00039 -0.00028 0.00057 -0.00118 -0.00007 156 20 H 1S 0.00022 -0.00014 0.00008 0.00014 -0.00011 157 2S -0.00039 -0.00028 0.00057 0.00118 -0.00007 158 21 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 159 2S 0.00000 0.00032 -0.00076 0.00000 -0.00006 160 22 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 161 2S -0.00051 0.00014 0.00028 0.00016 -0.00019 162 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 163 2PY 0.00003 0.00000 -0.00002 0.00003 0.00001 164 2PZ -0.00002 -0.00002 0.00002 -0.00001 0.00003 165 3S 0.00308 -0.00075 -0.00149 -0.00146 0.00102 166 3PX -0.00130 0.00048 0.00023 0.00053 -0.00029 167 3PY -0.00048 -0.00009 0.00044 0.00020 -0.00015 168 3PZ -0.00021 0.00026 -0.00015 0.00022 -0.00032 169 4XX -0.00012 0.00002 0.00016 -0.00001 -0.00008 170 4YY -0.00031 0.00010 0.00011 0.00007 -0.00011 171 4ZZ -0.00036 0.00013 0.00019 0.00006 -0.00009 172 4XY 0.00006 -0.00001 -0.00004 -0.00004 0.00004 173 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00005 174 4YZ 0.00000 0.00001 0.00001 -0.00004 0.00004 175 23 O 1S 0.00010 0.00003 0.00006 -0.00003 -0.00004 176 2S 0.00051 0.00014 0.00028 -0.00016 -0.00019 177 2PX -0.00007 -0.00004 -0.00001 -0.00002 0.00000 178 2PY 0.00003 0.00000 0.00002 0.00003 -0.00001 179 2PZ 0.00002 -0.00002 0.00002 0.00001 0.00003 180 3S -0.00308 -0.00074 -0.00149 0.00146 0.00102 181 3PX 0.00131 0.00048 0.00023 -0.00053 -0.00029 182 3PY -0.00048 0.00009 -0.00044 0.00020 0.00015 183 3PZ 0.00022 0.00026 -0.00015 -0.00022 -0.00032 184 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 185 4YY 0.00031 0.00010 0.00011 -0.00007 -0.00011 186 4ZZ 0.00036 0.00013 0.00019 -0.00006 -0.00009 187 4XY 0.00006 0.00001 0.00004 -0.00004 -0.00004 188 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 189 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 1 1 C 1S 0.01205 -0.00188 0.00246 -0.09140 0.01322 2 2S 0.00074 0.00225 -0.00017 0.17063 -0.02626 3 2PX -0.00009 0.00154 -0.00109 -0.02432 0.01434 4 2PY 0.00010 0.00063 0.00058 0.04654 -0.00801 5 2PZ -0.00002 -0.00023 0.00070 0.00317 -0.01051 6 3S -0.00446 0.00685 -0.02164 0.13186 -0.01329 7 3PX 0.00093 0.00007 -0.00423 -0.00049 0.00160 8 3PY -0.00161 0.00219 -0.01160 0.01392 0.00134 9 3PZ 0.00061 -0.00034 -0.00365 0.00078 -0.00606 10 4XX 0.00009 0.00010 0.00015 -0.00551 0.00153 11 4YY 0.00006 -0.00028 0.00082 0.00086 -0.00027 12 4ZZ 0.00002 -0.00022 0.00068 -0.00068 -0.00068 13 4XY -0.00005 0.00001 -0.00005 -0.00343 0.00111 14 4XZ 0.00016 0.00007 -0.00012 0.00599 -0.00192 15 4YZ -0.00006 -0.00001 -0.00009 0.00074 -0.00092 16 2 H 1S -0.00001 0.00044 -0.00093 0.03736 -0.00454 17 2S -0.00012 0.00104 -0.00364 0.00635 0.00024 18 3 C 1S -0.70206 -0.00034 -0.00002 -0.09538 0.01853 19 2S -0.03558 0.00232 -0.00271 0.18221 -0.03475 20 2PX -0.00026 0.00108 -0.00075 0.03994 -0.00118 21 2PY -0.00029 0.00042 0.00050 0.02998 -0.00676 22 2PZ -0.00005 0.00015 -0.00009 0.03308 -0.00784 23 3S 0.01698 -0.00444 0.02195 0.11188 -0.03008 24 3PX 0.00240 -0.00291 0.00854 0.00063 -0.00202 25 3PY 0.00338 -0.00016 0.01026 0.00183 -0.00013 26 3PZ 0.00172 -0.00115 0.00564 -0.00174 -0.00222 27 4XX 0.00646 0.00025 -0.00018 -0.00440 0.00179 28 4YY 0.00611 0.00030 -0.00009 0.00298 -0.00056 29 4ZZ 0.00637 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 0.00005 0.00006 0.00046 -0.00014 33 4 H 1S 0.00025 0.00012 0.00004 0.03708 -0.00829 34 2S -0.00075 -0.00043 0.00320 0.00181 -0.00145 35 5 C 1S 0.70211 -0.00034 0.00002 -0.09538 0.01853 36 2S 0.03558 0.00232 0.00271 0.18221 -0.03475 37 2PX 0.00026 0.00108 0.00075 0.03994 -0.00118 38 2PY -0.00029 -0.00042 0.00050 -0.02998 0.00676 39 2PZ 0.00005 0.00015 0.00009 0.03308 -0.00784 40 3S -0.01698 -0.00444 -0.02195 0.11188 -0.03008 41 3PX -0.00240 -0.00291 -0.00854 0.00063 -0.00202 42 3PY 0.00338 0.00016 0.01026 -0.00183 0.00013 43 3PZ -0.00172 -0.00115 -0.00564 -0.00174 -0.00222 44 4XX -0.00646 0.00025 0.00018 -0.00440 0.00179 45 4YY -0.00611 0.00030 0.00009 0.00298 -0.00056 46 4ZZ -0.00637 0.00041 0.00045 -0.00337 0.00066 47 4XY 0.00012 -0.00008 0.00026 0.00028 -0.00023 48 4XZ 0.00014 -0.00007 -0.00015 0.00711 -0.00167 49 4YZ 0.00004 -0.00005 0.00006 -0.00046 0.00014 50 6 H 1S -0.00025 0.00012 -0.00004 0.03708 -0.00829 51 2S 0.00075 -0.00043 -0.00320 0.00181 -0.00145 52 7 C 1S -0.01205 -0.00188 -0.00246 -0.09140 0.01322 53 2S -0.00074 0.00225 0.00017 0.17063 -0.02626 54 2PX 0.00009 0.00154 0.00109 -0.02432 0.01434 55 2PY 0.00010 -0.00063 0.00058 -0.04654 0.00801 56 2PZ 0.00002 -0.00023 -0.00070 0.00317 -0.01051 57 3S 0.00446 0.00685 0.02164 0.13186 -0.01329 58 3PX -0.00093 0.00007 0.00423 -0.00049 0.00160 59 3PY -0.00161 -0.00219 -0.01160 -0.01392 -0.00134 60 3PZ -0.00061 -0.00034 0.00365 0.00078 -0.00606 61 4XX -0.00009 0.00010 -0.00015 -0.00551 0.00153 62 4YY -0.00006 -0.00028 -0.00082 0.00086 -0.00027 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 0.03736 -0.00454 68 2S 0.00012 0.00104 0.00364 0.00635 0.00024 69 9 C 1S -0.00026 -0.00166 0.00115 -0.08158 0.02466 70 2S 0.00014 0.00239 -0.00198 0.15286 -0.04711 71 2PX -0.00007 0.00108 -0.00111 -0.01409 0.00546 72 2PY -0.00003 -0.00017 0.00083 0.01819 -0.00662 73 2PZ -0.00009 -0.00087 0.00018 -0.03441 0.00014 74 3S 0.00017 -0.00019 0.00794 0.11365 -0.03489 75 3PX 0.00035 0.00161 -0.00280 -0.00242 0.00123 76 3PY -0.00006 0.00162 -0.00171 0.00282 -0.00327 77 3PZ 0.00004 -0.00105 -0.00241 -0.00208 0.00027 78 4XX 0.00005 0.00007 -0.00018 -0.00223 0.00040 79 4YY 0.00004 -0.00016 0.00028 0.00150 -0.00058 80 4ZZ 0.00001 -0.00021 0.00035 0.00107 0.00072 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 0.03921 -0.01538 85 2S 0.00007 0.00121 -0.00136 0.00320 -0.00367 86 11 H 1S -0.00002 0.00209 -0.00254 0.03706 -0.01329 87 2S -0.00032 0.00186 -0.00187 0.00200 -0.00618 88 12 C 1S 0.00026 -0.00166 -0.00115 -0.08158 0.02466 89 2S -0.00014 0.00239 0.00198 0.15286 -0.04711 90 2PX 0.00007 0.00108 0.00111 -0.01409 0.00546 91 2PY -0.00003 0.00017 0.00083 -0.01819 0.00662 92 2PZ 0.00009 -0.00087 -0.00018 -0.03441 0.00014 93 3S -0.00017 -0.00019 -0.00794 0.11365 -0.03489 94 3PX -0.00035 0.00161 0.00280 -0.00242 0.00123 95 3PY -0.00006 -0.00162 -0.00171 -0.00282 0.00327 96 3PZ -0.00004 -0.00105 0.00241 -0.00208 0.00027 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 -0.00012 103 13 H 1S -0.00005 0.00050 0.00061 0.03921 -0.01538 104 2S -0.00007 0.00121 0.00136 0.00320 -0.00367 105 14 H 1S 0.00002 0.00209 0.00254 0.03706 -0.01329 106 2S 0.00032 0.00186 0.00187 0.00200 -0.00618 107 15 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 108 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 109 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 110 2PY -0.00002 0.00000 0.12748 0.00000 0.00000 111 2PZ 0.00000 -0.05993 0.00000 0.00672 -0.00417 112 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 113 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 114 3PY 0.00011 0.00000 0.00620 0.00000 0.00000 115 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 116 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 117 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 118 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 119 4XY 0.00000 0.00000 -0.01755 0.00000 0.00000 120 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 121 4YZ -0.00001 0.00000 -0.01777 0.00000 0.00000 122 16 C 1S -0.00001 -0.05621 0.04408 -0.02570 -0.12240 123 2S -0.00003 0.10426 -0.08664 0.05206 0.24580 124 2PX -0.00007 0.05979 -0.06053 -0.01488 0.02205 125 2PY -0.00003 0.00911 0.04361 0.01419 0.06650 126 2PZ -0.00003 0.04382 -0.04454 0.00150 -0.00992 127 3S 0.00084 0.03495 0.00910 0.03217 0.17211 128 3PX 0.00159 -0.00366 0.01821 -0.00320 -0.00226 129 3PY 0.00011 -0.00021 0.01692 0.00195 0.01028 130 3PZ 0.00139 -0.00408 0.02569 -0.00107 -0.00590 131 4XX 0.00012 0.00382 -0.00644 -0.00140 -0.00970 132 4YY 0.00005 -0.00147 0.00861 0.00137 0.00604 133 4ZZ 0.00006 -0.00073 -0.00180 -0.00082 -0.00696 134 4XY 0.00002 -0.00226 0.00613 -0.00011 -0.00065 135 4XZ 0.00007 0.01131 -0.01155 -0.00055 0.00474 136 4YZ -0.00005 -0.00084 0.00358 0.00100 0.00231 137 17 C 1S 0.00001 -0.05621 -0.04408 -0.02570 -0.12240 138 2S 0.00003 0.10426 0.08664 0.05206 0.24580 139 2PX 0.00007 0.05979 0.06053 -0.01488 0.02205 140 2PY -0.00003 -0.00912 0.04361 -0.01419 -0.06650 141 2PZ 0.00003 0.04382 0.04454 0.00150 -0.00992 142 3S -0.00084 0.03495 -0.00910 0.03217 0.17211 143 3PX -0.00159 -0.00366 -0.01821 -0.00320 -0.00226 144 3PY 0.00011 0.00021 0.01692 -0.00195 -0.01028 145 3PZ -0.00139 -0.00408 -0.02568 -0.00107 -0.00590 146 4XX -0.00012 0.00382 0.00644 -0.00140 -0.00970 147 4YY -0.00005 -0.00147 -0.00861 0.00137 0.00604 148 4ZZ -0.00006 -0.00073 0.00180 -0.00082 -0.00696 149 4XY 0.00002 0.00226 0.00613 0.00011 0.00065 150 4XZ -0.00007 0.01131 0.01155 -0.00055 0.00474 151 4YZ -0.00005 0.00084 0.00358 -0.00100 -0.00231 152 18 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07733 153 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 154 19 H 1S 0.00023 0.01251 -0.01447 0.01509 0.06813 155 2S 0.00031 -0.00345 0.00847 0.00255 0.01258 156 20 H 1S -0.00023 0.01251 0.01447 0.01509 0.06813 157 2S -0.00031 -0.00345 -0.00847 0.00255 0.01258 158 21 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 159 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 160 22 O 1S -0.00006 -0.13125 -0.15242 0.00883 0.01419 161 2S -0.00030 0.28412 0.33479 -0.02049 -0.03360 162 2PX 0.00002 -0.02242 -0.03040 -0.02008 -0.12266 163 2PY 0.00000 -0.08689 -0.06083 0.00854 0.03560 164 2PZ 0.00003 -0.00834 -0.01425 -0.01174 -0.10844 165 3S 0.00183 0.28832 0.35799 -0.02274 -0.03739 166 3PX -0.00052 -0.00924 -0.02342 -0.00987 -0.05543 167 3PY -0.00020 -0.05298 -0.03672 0.00479 0.01554 168 3PZ -0.00040 -0.00214 -0.01098 -0.00502 -0.04936 169 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 170 4YY -0.00019 0.00722 -0.00050 -0.00136 -0.00583 171 4ZZ -0.00016 -0.00460 -0.00387 0.00018 0.00101 172 4XY 0.00004 0.00045 0.00198 0.00195 0.01122 173 4XZ 0.00005 0.00716 0.00771 0.00022 0.00388 174 4YZ 0.00003 -0.00191 -0.00021 0.00132 0.01023 175 23 O 1S 0.00006 -0.13125 0.15242 0.00883 0.01419 176 2S 0.00030 0.28412 -0.33479 -0.02049 -0.03360 177 2PX -0.00002 -0.02242 0.03040 -0.02008 -0.12266 178 2PY 0.00000 0.08689 -0.06083 -0.00854 -0.03560 179 2PZ -0.00003 -0.00833 0.01425 -0.01174 -0.10844 180 3S -0.00183 0.28832 -0.35799 -0.02274 -0.03739 181 3PX 0.00052 -0.00924 0.02342 -0.00987 -0.05543 182 3PY -0.00020 0.05298 -0.03672 -0.00479 -0.01554 183 3PZ 0.00040 -0.00214 0.01098 -0.00502 -0.04936 184 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 185 4YY 0.00019 0.00722 0.00050 -0.00136 -0.00582 186 4ZZ 0.00016 -0.00460 0.00387 0.00018 0.00101 187 4XY 0.00004 -0.00045 0.00198 -0.00195 -0.01122 188 4XZ -0.00005 0.00716 -0.00771 0.00022 0.00388 189 4YZ 0.00003 0.00191 -0.00021 -0.00132 -0.01023 16 17 18 19 20 O O O O O Eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S 0.00745 -0.12444 -0.00049 0.00481 0.02265 2 2S -0.01414 0.24080 0.00018 -0.01120 -0.04691 3 2PX 0.05828 -0.02710 0.01393 0.00121 0.09492 4 2PY -0.01150 0.00554 0.00031 -0.00307 -0.00529 5 2PZ 0.09022 0.00672 -0.00711 -0.04280 0.13780 6 3S -0.01427 0.21043 0.00800 -0.00041 -0.04358 7 3PX 0.00996 -0.00285 -0.00010 0.00201 0.02376 8 3PY -0.00626 0.00250 0.00511 0.00313 0.00098 9 3PZ 0.01542 -0.00011 -0.00379 -0.01692 0.03504 10 4XX -0.00218 -0.00700 -0.00029 0.00204 -0.00229 11 4YY -0.00061 -0.00073 0.00012 -0.00009 -0.00081 12 4ZZ 0.00531 -0.00138 -0.00010 -0.00213 0.00682 13 4XY 0.00503 -0.00333 0.00124 -0.00048 0.00396 14 4XZ -0.00163 0.00666 -0.00099 -0.00147 -0.00267 15 4YZ 0.00739 0.00133 -0.00059 -0.00148 0.00523 16 2 H 1S -0.00149 0.07839 0.00120 -0.00006 -0.01615 17 2S -0.00162 0.01907 0.00015 0.00331 -0.00473 18 3 C 1S 0.10571 -0.06442 0.01274 -0.00728 0.08066 19 2S -0.20538 0.12809 -0.02553 0.01533 -0.16377 20 2PX -0.00705 0.04458 0.01059 0.00457 -0.02124 21 2PY -0.05185 -0.07807 -0.00820 -0.00964 0.10415 22 2PZ 0.01101 0.03743 -0.00022 -0.00673 0.00048 23 3S -0.15235 0.07288 -0.02503 0.00481 -0.12772 24 3PX 0.00248 -0.00657 0.00269 -0.00316 0.00806 25 3PY -0.00493 -0.02229 -0.00068 -0.00246 0.03748 26 3PZ 0.00882 -0.01008 -0.00274 -0.00497 0.01708 27 4XX 0.00670 0.00004 0.00186 0.00029 0.00146 28 4YY -0.00490 -0.00641 -0.00089 -0.00069 0.00748 29 4ZZ 0.00601 0.00096 0.00004 -0.00053 0.00056 30 4XY -0.00085 -0.00408 0.00012 -0.00034 0.00109 31 4XZ -0.00472 0.00713 -0.00107 0.00002 -0.00613 32 4YZ -0.00176 -0.00269 -0.00031 0.00080 -0.00192 33 4 H 1S -0.06122 0.03836 -0.01005 0.00877 -0.08123 34 2S -0.01269 0.00262 -0.00389 0.00345 -0.02734 35 5 C 1S 0.10571 0.06442 0.01274 0.00728 -0.08066 36 2S -0.20538 -0.12809 -0.02553 -0.01533 0.16377 37 2PX -0.00705 -0.04458 0.01059 -0.00457 0.02124 38 2PY 0.05185 -0.07806 0.00820 -0.00964 0.10415 39 2PZ 0.01101 -0.03743 -0.00022 0.00673 -0.00047 40 3S -0.15235 -0.07288 -0.02503 -0.00481 0.12772 41 3PX 0.00248 0.00657 0.00269 0.00316 -0.00806 42 3PY 0.00493 -0.02229 0.00068 -0.00246 0.03748 43 3PZ 0.00882 0.01008 -0.00274 0.00497 -0.01708 44 4XX 0.00670 -0.00004 0.00186 -0.00029 -0.00146 45 4YY -0.00490 0.00641 -0.00089 0.00069 -0.00748 46 4ZZ 0.00601 -0.00096 0.00004 0.00053 -0.00056 47 4XY 0.00085 -0.00408 -0.00012 -0.00034 0.00109 48 4XZ -0.00472 -0.00713 -0.00107 -0.00002 0.00613 49 4YZ 0.00176 -0.00269 0.00031 0.00080 -0.00192 50 6 H 1S -0.06122 -0.03836 -0.01005 -0.00877 0.08123 51 2S -0.01269 -0.00262 -0.00389 -0.00345 0.02734 52 7 C 1S 0.00744 0.12444 -0.00049 -0.00481 -0.02265 53 2S -0.01414 -0.24080 0.00018 0.01120 0.04691 54 2PX 0.05828 0.02710 0.01393 -0.00121 -0.09492 55 2PY 0.01149 0.00554 -0.00031 -0.00307 -0.00528 56 2PZ 0.09022 -0.00672 -0.00711 0.04280 -0.13780 57 3S -0.01427 -0.21043 0.00800 0.00041 0.04358 58 3PX 0.00996 0.00285 -0.00010 -0.00201 -0.02376 59 3PY 0.00625 0.00250 -0.00511 0.00313 0.00098 60 3PZ 0.01542 0.00011 -0.00379 0.01692 -0.03504 61 4XX -0.00218 0.00700 -0.00029 -0.00204 0.00229 62 4YY -0.00061 0.00073 0.00012 0.00009 0.00081 63 4ZZ 0.00531 0.00138 -0.00010 0.00213 -0.00682 64 4XY -0.00503 -0.00333 -0.00124 -0.00048 0.00396 65 4XZ -0.00163 -0.00666 -0.00099 0.00147 0.00267 66 4YZ -0.00739 0.00133 0.00059 -0.00148 0.00523 67 8 H 1S -0.00149 -0.07839 0.00120 0.00006 0.01615 68 2S -0.00162 -0.01907 0.00015 -0.00331 0.00473 69 9 C 1S -0.11130 -0.06711 0.00649 0.03434 -0.09318 70 2S 0.21419 0.13009 -0.01234 -0.06897 0.18930 71 2PX 0.00844 -0.01551 0.00763 0.00344 0.01269 72 2PY 0.03641 -0.06529 -0.00104 0.03478 -0.09507 73 2PZ 0.01722 -0.04148 -0.00619 -0.00550 0.02002 74 3S 0.18757 0.10778 -0.01228 -0.06573 0.17955 75 3PX 0.00519 -0.00524 0.00451 -0.00040 0.00931 76 3PY 0.00547 -0.01783 0.00001 0.00861 -0.03889 77 3PZ 0.00638 -0.00270 -0.00014 -0.00279 0.01636 78 4XX -0.00074 0.00076 0.00011 -0.00151 0.00477 79 4YY 0.00374 -0.00741 -0.00015 0.00369 -0.01016 80 4ZZ -0.00473 0.00513 0.00047 -0.00010 -0.00048 81 4XY -0.00066 0.00119 0.00021 -0.00017 -0.00150 82 4XZ -0.00196 0.00236 -0.00017 0.00002 -0.00246 83 4YZ -0.00143 0.00345 -0.00009 0.00087 -0.00254 84 10 H 1S 0.06842 0.04374 -0.00807 -0.03306 0.08667 85 2S 0.01612 0.00723 -0.00284 -0.01302 0.03160 86 11 H 1S 0.07058 0.04275 -0.00106 -0.03080 0.09334 87 2S 0.01290 0.00874 -0.00180 -0.01475 0.03179 88 12 C 1S -0.11130 0.06711 0.00649 -0.03434 0.09318 89 2S 0.21419 -0.13009 -0.01234 0.06897 -0.18930 90 2PX 0.00844 0.01551 0.00763 -0.00344 -0.01269 91 2PY -0.03641 -0.06529 0.00104 0.03478 -0.09507 92 2PZ 0.01722 0.04147 -0.00619 0.00550 -0.02002 93 3S 0.18757 -0.10778 -0.01228 0.06573 -0.17955 94 3PX 0.00519 0.00524 0.00451 0.00040 -0.00931 95 3PY -0.00547 -0.01783 -0.00001 0.00861 -0.03889 96 3PZ 0.00638 0.00270 -0.00014 0.00279 -0.01636 97 4XX -0.00074 -0.00076 0.00011 0.00151 -0.00477 98 4YY 0.00374 0.00741 -0.00015 -0.00369 0.01016 99 4ZZ -0.00473 -0.00513 0.00047 0.00010 0.00048 100 4XY 0.00066 0.00119 -0.00021 -0.00017 -0.00150 101 4XZ -0.00196 -0.00236 -0.00017 -0.00002 0.00246 102 4YZ 0.00143 0.00345 0.00009 0.00087 -0.00254 103 13 H 1S 0.06842 -0.04374 -0.00807 0.03306 -0.08667 104 2S 0.01612 -0.00723 -0.00284 0.01302 -0.03160 105 14 H 1S 0.07058 -0.04275 -0.00106 0.03080 -0.09334 106 2S 0.01290 -0.00874 -0.00180 0.01475 -0.03179 107 15 C 1S 0.00912 0.00000 -0.12225 0.00000 0.00000 108 2S -0.01981 0.00000 0.25808 0.00000 0.00000 109 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 110 2PY 0.00000 0.01880 0.00000 0.21589 0.06315 111 2PZ 0.00607 0.00000 0.06779 0.00000 0.00000 112 3S -0.01503 0.00000 0.24383 0.00000 0.00000 113 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 114 3PY 0.00000 0.00189 0.00000 0.05677 0.01521 115 3PZ -0.00182 0.00000 0.02828 0.00000 0.00000 116 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 117 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 118 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 119 4XY 0.00000 -0.00129 0.00000 -0.01287 -0.00324 120 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 121 4YZ 0.00000 -0.00186 0.00000 -0.01406 -0.00448 122 16 C 1S -0.00475 -0.01207 -0.07241 -0.09541 -0.02252 123 2S 0.00928 0.02323 0.14729 0.19676 0.04504 124 2PX 0.00303 -0.01226 -0.08531 0.03099 0.01198 125 2PY 0.00304 -0.01516 0.15594 -0.13078 -0.03064 126 2PZ 0.00726 0.00044 -0.08059 -0.01988 0.00233 127 3S 0.00867 0.02695 0.12860 0.18872 0.05488 128 3PX 0.00050 -0.00446 -0.02247 -0.00190 0.00808 129 3PY -0.00014 0.00038 0.02897 -0.02718 -0.00269 130 3PZ 0.00263 0.00237 -0.01968 -0.01219 0.00727 131 4XX -0.00120 -0.00037 -0.01419 -0.00289 -0.00136 132 4YY 0.00015 -0.00102 0.00714 -0.00733 -0.00180 133 4ZZ 0.00048 -0.00010 -0.00463 0.00003 0.00049 134 4XY -0.00019 0.00103 0.00809 -0.00478 -0.00178 135 4XZ -0.00033 -0.00044 -0.00622 0.00762 0.00190 136 4YZ 0.00006 0.00039 0.00772 0.00423 0.00014 137 17 C 1S -0.00475 0.01207 -0.07241 0.09541 0.02252 138 2S 0.00928 -0.02323 0.14729 -0.19676 -0.04504 139 2PX 0.00303 0.01226 -0.08531 -0.03099 -0.01198 140 2PY -0.00304 -0.01516 -0.15594 -0.13078 -0.03064 141 2PZ 0.00726 -0.00044 -0.08060 0.01988 -0.00233 142 3S 0.00867 -0.02695 0.12860 -0.18872 -0.05488 143 3PX 0.00050 0.00446 -0.02247 0.00190 -0.00808 144 3PY 0.00014 0.00038 -0.02897 -0.02718 -0.00269 145 3PZ 0.00263 -0.00237 -0.01968 0.01219 -0.00727 146 4XX -0.00120 0.00037 -0.01419 0.00289 0.00136 147 4YY 0.00015 0.00102 0.00714 0.00733 0.00180 148 4ZZ 0.00048 0.00010 -0.00463 -0.00003 -0.00049 149 4XY 0.00019 0.00103 -0.00809 -0.00478 -0.00178 150 4XZ -0.00033 0.00044 -0.00622 -0.00762 -0.00190 151 4YZ -0.00006 0.00039 -0.00772 0.00424 0.00014 152 18 H 1S -0.00772 0.00000 0.11585 0.00000 0.00000 153 2S 0.00021 0.00000 0.03820 0.00000 0.00000 154 19 H 1S -0.00058 0.01420 0.05359 0.11567 0.02287 155 2S -0.00151 0.00614 0.01636 0.04773 0.01077 156 20 H 1S -0.00058 -0.01420 0.05359 -0.11567 -0.02287 157 2S -0.00151 -0.00614 0.01636 -0.04773 -0.01077 158 21 H 1S -0.00191 0.00000 0.11587 0.00000 0.00000 159 2S 0.00654 0.00000 0.03555 0.00000 0.00000 160 22 O 1S 0.00235 -0.00715 0.07106 -0.02548 -0.00812 161 2S -0.00547 0.01658 -0.16574 0.05880 0.01852 162 2PX -0.01378 0.01549 0.07315 0.18527 0.05832 163 2PY 0.00429 -0.00677 -0.08876 -0.05654 -0.01761 164 2PZ -0.00318 0.00676 0.06653 0.16880 0.04087 165 3S -0.00824 0.02076 -0.22093 0.08044 0.03086 166 3PX -0.00676 0.00714 0.02849 0.08559 0.02719 167 3PY 0.00336 -0.00377 -0.04835 -0.02425 -0.00915 168 3PZ -0.00013 0.00252 0.02632 0.07956 0.01599 169 4XX 0.00056 -0.00102 -0.00023 -0.00599 -0.00168 170 4YY -0.00086 0.00046 0.01009 0.00336 0.00116 171 4ZZ 0.00012 -0.00029 0.00085 -0.00283 -0.00068 172 4XY 0.00114 -0.00052 -0.00146 -0.00716 -0.00216 173 4XZ -0.00032 -0.00003 0.00109 -0.00506 -0.00057 174 4YZ 0.00038 -0.00035 -0.00257 -0.00696 -0.00168 175 23 O 1S 0.00235 0.00715 0.07106 0.02548 0.00812 176 2S -0.00547 -0.01658 -0.16574 -0.05880 -0.01852 177 2PX -0.01378 -0.01549 0.07315 -0.18527 -0.05832 178 2PY -0.00429 -0.00677 0.08875 -0.05654 -0.01761 179 2PZ -0.00318 -0.00676 0.06653 -0.16880 -0.04087 180 3S -0.00824 -0.02076 -0.22093 -0.08044 -0.03086 181 3PX -0.00676 -0.00714 0.02849 -0.08559 -0.02719 182 3PY -0.00336 -0.00377 0.04835 -0.02425 -0.00915 183 3PZ -0.00013 -0.00252 0.02633 -0.07957 -0.01599 184 4XX 0.00056 0.00102 -0.00023 0.00599 0.00168 185 4YY -0.00086 -0.00046 0.01009 -0.00336 -0.00115 186 4ZZ 0.00012 0.00029 0.00085 0.00283 0.00068 187 4XY -0.00114 -0.00052 0.00146 -0.00716 -0.00216 188 4XZ -0.00032 0.00003 0.00109 0.00506 0.00057 189 4YZ -0.00038 -0.00035 0.00257 -0.00696 -0.00168 21 22 23 24 25 O O O O O Eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 1 1 C 1S -0.10221 0.01243 0.00592 0.00758 0.06160 2 2S 0.20674 -0.02605 -0.01127 -0.01797 -0.12766 3 2PX 0.00354 0.00928 0.04266 -0.01429 -0.07387 4 2PY -0.07521 -0.01895 -0.04311 0.19958 0.11923 5 2PZ -0.00524 -0.00864 -0.02147 0.01121 -0.01966 6 3S 0.19341 -0.02642 -0.01500 -0.01836 -0.14637 7 3PX 0.00839 0.00956 0.01712 0.00485 -0.03067 8 3PY -0.03143 -0.00912 -0.02111 0.08102 0.04704 9 3PZ -0.00419 -0.00263 -0.00588 0.01019 -0.00078 10 4XX -0.00818 0.00096 0.00299 0.00020 0.00863 11 4YY 0.00404 -0.00063 0.00064 -0.00238 -0.01114 12 4ZZ -0.00854 0.00206 0.00006 -0.00181 0.00992 13 4XY -0.00041 0.00000 0.00187 -0.00216 -0.00005 14 4XZ -0.00002 -0.00128 0.00078 -0.00152 0.00499 15 4YZ 0.00150 0.00002 -0.00103 -0.00081 -0.00209 16 2 H 1S 0.11678 0.00021 0.02012 -0.11150 -0.13178 17 2S 0.05092 0.00380 0.01350 -0.06812 -0.08344 18 3 C 1S 0.05700 -0.00370 -0.00457 0.00524 -0.06954 19 2S -0.11519 0.00603 0.00981 -0.00986 0.14349 20 2PX 0.08938 -0.01931 -0.02768 0.11644 -0.06288 21 2PY -0.13462 0.00267 -0.00744 0.12252 -0.08211 22 2PZ 0.08849 -0.03279 -0.05976 0.14406 -0.07087 23 3S -0.10505 0.01671 0.01738 -0.01926 0.15380 24 3PX 0.02722 -0.00291 -0.00619 0.03702 -0.02733 25 3PY -0.02907 -0.00142 -0.00400 0.03502 -0.03358 26 3PZ 0.02889 -0.00949 -0.01936 0.04669 -0.03177 27 4XX 0.00703 -0.00040 0.00076 0.00090 -0.00320 28 4YY -0.00385 0.00038 0.00101 -0.00204 -0.00904 29 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 0.00280 30 4XY -0.00455 0.00015 0.00020 0.00210 0.00786 31 4XZ 0.00046 -0.00055 -0.00003 -0.00131 0.00555 32 4YZ -0.00466 0.00026 0.00027 0.00046 0.00926 33 4 H 1S -0.06454 0.01841 0.03454 -0.12050 0.13843 34 2S -0.02740 0.01176 0.02239 -0.08522 0.08665 35 5 C 1S 0.05700 -0.00370 -0.00457 0.00524 0.06954 36 2S -0.11519 0.00603 0.00981 -0.00986 -0.14349 37 2PX 0.08938 -0.01931 -0.02768 0.11644 0.06288 38 2PY 0.13461 -0.00267 0.00744 -0.12253 -0.08211 39 2PZ 0.08850 -0.03279 -0.05976 0.14405 0.07087 40 3S -0.10505 0.01671 0.01738 -0.01926 -0.15380 41 3PX 0.02722 -0.00291 -0.00619 0.03702 0.02733 42 3PY 0.02907 0.00142 0.00400 -0.03502 -0.03358 43 3PZ 0.02889 -0.00949 -0.01936 0.04669 0.03177 44 4XX 0.00703 -0.00040 0.00076 0.00090 0.00320 45 4YY -0.00385 0.00038 0.00101 -0.00204 0.00904 46 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 -0.00280 47 4XY 0.00455 -0.00015 -0.00020 -0.00210 0.00786 48 4XZ 0.00046 -0.00055 -0.00003 -0.00131 -0.00555 49 4YZ 0.00466 -0.00026 -0.00027 -0.00046 0.00926 50 6 H 1S -0.06454 0.01841 0.03454 -0.12050 -0.13843 51 2S -0.02740 0.01176 0.02239 -0.08522 -0.08665 52 7 C 1S -0.10221 0.01243 0.00592 0.00758 -0.06160 53 2S 0.20674 -0.02605 -0.01127 -0.01797 0.12766 54 2PX 0.00354 0.00928 0.04266 -0.01429 0.07387 55 2PY 0.07521 0.01895 0.04311 -0.19958 0.11923 56 2PZ -0.00524 -0.00864 -0.02147 0.01120 0.01967 57 3S 0.19341 -0.02642 -0.01500 -0.01836 0.14637 58 3PX 0.00839 0.00956 0.01712 0.00485 0.03067 59 3PY 0.03143 0.00912 0.02111 -0.08102 0.04704 60 3PZ -0.00418 -0.00263 -0.00588 0.01018 0.00078 61 4XX -0.00818 0.00096 0.00299 0.00020 -0.00863 62 4YY 0.00404 -0.00063 0.00064 -0.00238 0.01114 63 4ZZ -0.00854 0.00206 0.00006 -0.00181 -0.00992 64 4XY 0.00041 0.00000 -0.00187 0.00216 -0.00005 65 4XZ -0.00002 -0.00128 0.00078 -0.00152 -0.00499 66 4YZ -0.00150 -0.00002 0.00103 0.00081 -0.00209 67 8 H 1S 0.11678 0.00021 0.02012 -0.11150 0.13178 68 2S 0.05092 0.00380 0.01350 -0.06812 0.08344 69 9 C 1S 0.04252 -0.00808 0.00682 0.00557 -0.04544 70 2S -0.08562 0.01802 -0.01495 -0.01014 0.09134 71 2PX -0.02395 0.00211 0.09665 -0.03187 0.00773 72 2PY -0.07742 0.00185 -0.02339 0.08419 -0.03414 73 2PZ -0.10178 0.03755 0.00528 -0.10168 0.10452 74 3S -0.08413 0.01120 -0.01993 -0.02787 0.12229 75 3PX -0.00901 -0.00468 0.04047 -0.01506 0.00726 76 3PY -0.02419 0.00042 -0.00272 0.03836 -0.00864 77 3PZ -0.03481 0.01451 -0.00661 -0.04013 0.04434 78 4XX -0.00235 0.00083 0.00328 -0.00497 0.00641 79 4YY -0.00228 0.00097 -0.00078 -0.00095 -0.00754 80 4ZZ 0.00760 -0.00105 -0.00188 0.00213 -0.00294 81 4XY 0.00165 -0.00026 -0.00069 -0.00075 -0.00126 82 4XZ 0.00378 -0.00097 0.00063 0.00323 -0.00274 83 4YZ 0.00494 -0.00010 0.00095 -0.00328 -0.00987 84 10 H 1S -0.04640 0.01879 -0.03239 -0.04631 0.08454 85 2S -0.02136 0.00974 -0.01511 -0.03115 0.05214 86 11 H 1S -0.04246 0.01138 0.05538 -0.04763 0.06776 87 2S -0.01761 0.01371 0.05149 -0.02203 0.03710 88 12 C 1S 0.04252 -0.00808 0.00682 0.00557 0.04544 89 2S -0.08562 0.01802 -0.01495 -0.01014 -0.09134 90 2PX -0.02395 0.00211 0.09665 -0.03187 -0.00773 91 2PY 0.07742 -0.00185 0.02339 -0.08419 -0.03414 92 2PZ -0.10177 0.03755 0.00528 -0.10169 -0.10452 93 3S -0.08413 0.01120 -0.01993 -0.02787 -0.12229 94 3PX -0.00901 -0.00468 0.04047 -0.01506 -0.00726 95 3PY 0.02419 -0.00042 0.00272 -0.03836 -0.00864 96 3PZ -0.03481 0.01451 -0.00661 -0.04013 -0.04434 97 4XX -0.00235 0.00083 0.00328 -0.00497 -0.00641 98 4YY -0.00228 0.00097 -0.00078 -0.00096 0.00754 99 4ZZ 0.00760 -0.00105 -0.00188 0.00213 0.00294 100 4XY -0.00165 0.00026 0.00069 0.00075 -0.00126 101 4XZ 0.00378 -0.00097 0.00063 0.00323 0.00274 102 4YZ -0.00494 0.00010 -0.00095 0.00328 -0.00987 103 13 H 1S -0.04640 0.01879 -0.03239 -0.04631 -0.08454 104 2S -0.02136 0.00974 -0.01511 -0.03115 -0.05214 105 14 H 1S -0.04246 0.01138 0.05538 -0.04763 -0.06776 106 2S -0.01761 0.01371 0.05149 -0.02203 -0.03710 107 15 C 1S -0.00096 -0.01077 -0.00554 0.00026 0.00000 108 2S 0.00286 0.02344 0.00837 -0.00201 0.00000 109 2PX 0.01562 0.22010 -0.14690 -0.00047 0.00000 110 2PY 0.00000 0.00000 -0.00001 0.00000 0.07077 111 2PZ 0.00729 0.07974 0.30137 0.09950 0.00000 112 3S 0.00474 0.04137 0.02727 0.00855 0.00000 113 3PX 0.00845 0.08451 -0.07301 -0.00356 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.02803 115 3PZ 0.00408 0.01925 0.11941 0.04302 0.00000 116 4XX -0.00055 -0.00014 -0.00211 -0.00084 0.00000 117 4YY 0.00114 -0.00245 -0.00482 -0.00048 0.00000 118 4ZZ -0.00100 -0.00010 0.00614 0.00098 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00227 120 4XZ -0.00164 -0.01453 -0.00686 -0.00449 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00290 122 16 C 1S 0.00937 -0.01088 -0.00407 -0.00035 0.00588 123 2S -0.02082 0.02184 0.00862 0.00108 -0.01078 124 2PX -0.02355 -0.04638 -0.05096 -0.03424 0.05261 125 2PY -0.04753 -0.19532 -0.06027 -0.03874 0.01149 126 2PZ 0.00370 -0.15380 0.06749 0.01085 0.03788 127 3S -0.00964 0.04435 0.01528 0.00642 -0.01816 128 3PX -0.00746 -0.00763 -0.02763 -0.01432 0.01824 129 3PY -0.01394 -0.06105 -0.01984 -0.01142 0.00885 130 3PZ 0.00437 -0.05090 0.03234 0.00446 0.00578 131 4XX 0.00152 -0.00174 -0.00691 -0.00150 0.00273 132 4YY -0.00087 0.00133 -0.00001 -0.00014 -0.00111 133 4ZZ 0.00115 0.00280 0.00727 0.00239 -0.00125 134 4XY -0.00091 -0.00669 -0.00442 -0.00441 -0.00558 135 4XZ -0.00110 -0.00280 0.00205 -0.00093 0.00325 136 4YZ -0.00074 -0.00165 -0.00110 -0.00030 -0.00424 137 17 C 1S 0.00937 -0.01088 -0.00407 -0.00035 -0.00588 138 2S -0.02082 0.02184 0.00862 0.00108 0.01078 139 2PX -0.02355 -0.04638 -0.05096 -0.03424 -0.05261 140 2PY 0.04753 0.19532 0.06026 0.03874 0.01149 141 2PZ 0.00370 -0.15379 0.06749 0.01085 -0.03788 142 3S -0.00964 0.04435 0.01528 0.00642 0.01816 143 3PX -0.00746 -0.00763 -0.02763 -0.01432 -0.01824 144 3PY 0.01394 0.06105 0.01984 0.01142 0.00885 145 3PZ 0.00437 -0.05090 0.03234 0.00446 -0.00578 146 4XX 0.00152 -0.00174 -0.00691 -0.00150 -0.00273 147 4YY -0.00087 0.00133 -0.00001 -0.00014 0.00111 148 4ZZ 0.00115 0.00280 0.00727 0.00239 0.00125 149 4XY 0.00091 0.00669 0.00442 0.00441 -0.00558 150 4XZ -0.00110 -0.00280 0.00205 -0.00093 -0.00325 151 4YZ 0.00074 0.00165 0.00110 0.00030 -0.00424 152 18 H 1S 0.00690 0.10834 -0.09034 -0.00870 0.00000 153 2S 0.00243 0.06408 -0.05002 -0.00280 0.00000 154 19 H 1S 0.00746 0.12877 0.00465 0.00975 -0.03701 155 2S 0.00580 0.07793 0.00772 0.00248 -0.02724 156 20 H 1S 0.00746 0.12877 0.00465 0.00975 0.03701 157 2S 0.00580 0.07793 0.00772 0.00248 0.02724 158 21 H 1S 0.00034 0.02997 0.17196 0.04820 0.00000 159 2S -0.00428 0.02516 0.10560 0.02522 0.00000 160 22 O 1S -0.00787 -0.02952 -0.00277 -0.01110 0.00414 161 2S 0.01893 0.06741 0.00642 0.02494 -0.00879 162 2PX 0.00464 0.05353 -0.16048 -0.03339 0.06327 163 2PY 0.02735 0.19859 0.08017 0.06940 -0.01147 164 2PZ 0.00852 -0.05734 0.12565 0.03151 0.05851 165 3S 0.02410 0.09922 0.00695 0.04169 -0.02137 166 3PX 0.00460 0.03584 -0.08928 -0.01747 0.03352 167 3PY 0.01586 0.11636 0.04813 0.04077 -0.00387 168 3PZ 0.00533 -0.02719 0.07607 0.01900 0.02975 169 4XX 0.00143 0.00629 0.00441 0.00253 0.00040 170 4YY -0.00199 -0.01676 -0.00726 -0.00596 0.00109 171 4ZZ 0.00065 0.00841 0.00325 0.00174 0.00074 172 4XY -0.00205 -0.01180 0.00815 0.00047 -0.00280 173 4XZ 0.00007 0.00511 -0.00055 0.00080 0.00002 174 4YZ -0.00149 -0.00143 -0.01119 -0.00382 -0.00235 175 23 O 1S -0.00787 -0.02952 -0.00277 -0.01110 -0.00414 176 2S 0.01893 0.06741 0.00642 0.02494 0.00879 177 2PX 0.00464 0.05353 -0.16048 -0.03339 -0.06327 178 2PY -0.02736 -0.19858 -0.08017 -0.06940 -0.01147 179 2PZ 0.00852 -0.05735 0.12565 0.03151 -0.05851 180 3S 0.02410 0.09922 0.00695 0.04169 0.02137 181 3PX 0.00460 0.03584 -0.08928 -0.01747 -0.03352 182 3PY -0.01586 -0.11636 -0.04813 -0.04078 -0.00387 183 3PZ 0.00533 -0.02720 0.07606 0.01900 -0.02975 184 4XX 0.00143 0.00629 0.00441 0.00253 -0.00040 185 4YY -0.00199 -0.01676 -0.00726 -0.00596 -0.00109 186 4ZZ 0.00065 0.00841 0.00325 0.00174 -0.00074 187 4XY 0.00205 0.01180 -0.00815 -0.00047 -0.00280 188 4XZ 0.00007 0.00511 -0.00055 0.00080 -0.00002 189 4YZ 0.00149 0.00143 0.01119 0.00382 -0.00235 26 27 28 29 30 O O O O O Eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 1 1 C 1S -0.02373 -0.00061 -0.00396 -0.00060 -0.02736 2 2S 0.04993 -0.00096 0.00776 0.00099 0.06302 3 2PX -0.01210 0.10546 0.03940 0.12512 -0.10099 4 2PY -0.02919 0.01632 -0.00078 -0.03525 0.25433 5 2PZ 0.02249 0.00101 0.04134 0.23682 0.03107 6 3S 0.05782 0.01173 0.01692 0.01216 0.09501 7 3PX -0.00315 0.04405 0.01134 0.03648 -0.04767 8 3PY -0.00935 0.01975 0.00855 -0.00712 0.07515 9 3PZ 0.02116 -0.00502 0.01307 0.08431 0.01005 10 4XX -0.00268 -0.00005 0.00022 -0.00440 0.00056 11 4YY 0.00332 0.00143 0.00081 0.00260 -0.01169 12 4ZZ -0.00431 -0.00111 -0.00159 0.00350 0.00279 13 4XY -0.00059 0.00365 0.00091 0.00120 -0.00320 14 4XZ 0.00067 0.00388 0.00245 -0.00455 -0.00024 15 4YZ 0.00094 -0.00053 0.00121 0.00457 -0.00081 16 2 H 1S 0.03818 -0.00207 0.00458 0.02004 -0.13987 17 2S 0.02416 0.00271 0.00596 0.01915 -0.14216 18 3 C 1S 0.01120 0.00122 -0.00258 0.00504 -0.00674 19 2S -0.02096 -0.00223 0.00790 -0.01054 0.01764 20 2PX 0.01417 0.00930 -0.03106 -0.15431 0.12098 21 2PY 0.01099 0.05722 0.03609 0.19642 0.01491 22 2PZ 0.03528 -0.05811 -0.01679 -0.07677 0.16406 23 3S -0.03569 -0.00521 -0.00334 -0.01433 0.02552 24 3PX -0.00017 0.00838 -0.01601 -0.06152 0.01629 25 3PY -0.00467 0.01738 0.01231 0.07222 0.03692 26 3PZ 0.01226 -0.02818 -0.00606 -0.02508 0.03668 27 4XX -0.00010 0.00217 -0.00089 -0.00437 0.00156 28 4YY 0.00214 0.00037 0.00117 0.00309 -0.00776 29 4ZZ 0.00008 -0.00265 0.00010 0.00260 0.00083 30 4XY -0.00198 0.00173 0.00027 0.00082 -0.00671 31 4XZ -0.00022 -0.00064 0.00069 -0.00131 0.00156 32 4YZ -0.00367 0.00012 0.00047 0.00073 -0.01097 33 4 H 1S -0.03401 0.00334 0.00880 0.01608 -0.11250 34 2S -0.02851 0.00146 0.00538 0.01591 -0.10979 35 5 C 1S -0.01120 0.00122 -0.00258 0.00504 0.00674 36 2S 0.02096 -0.00223 0.00790 -0.01054 -0.01764 37 2PX -0.01417 0.00930 -0.03106 -0.15431 -0.12098 38 2PY 0.01099 -0.05722 -0.03609 -0.19642 0.01492 39 2PZ -0.03528 -0.05811 -0.01679 -0.07678 -0.16406 40 3S 0.03569 -0.00521 -0.00334 -0.01433 -0.02552 41 3PX 0.00017 0.00838 -0.01601 -0.06152 -0.01629 42 3PY -0.00467 -0.01738 -0.01231 -0.07222 0.03692 43 3PZ -0.01226 -0.02818 -0.00606 -0.02508 -0.03668 44 4XX 0.00010 0.00217 -0.00089 -0.00437 -0.00156 45 4YY -0.00214 0.00037 0.00117 0.00309 0.00776 46 4ZZ -0.00008 -0.00265 0.00010 0.00260 -0.00083 47 4XY -0.00198 -0.00173 -0.00027 -0.00082 -0.00671 48 4XZ 0.00022 -0.00064 0.00069 -0.00131 -0.00156 49 4YZ -0.00367 -0.00012 -0.00047 -0.00073 -0.01097 50 6 H 1S 0.03401 0.00334 0.00880 0.01608 0.11250 51 2S 0.02851 0.00146 0.00538 0.01591 0.10979 52 7 C 1S 0.02373 -0.00061 -0.00396 -0.00060 0.02736 53 2S -0.04993 -0.00096 0.00776 0.00099 -0.06302 54 2PX 0.01210 0.10546 0.03940 0.12512 0.10099 55 2PY -0.02919 -0.01632 0.00078 0.03524 0.25433 56 2PZ -0.02249 0.00101 0.04134 0.23682 -0.03106 57 3S -0.05782 0.01173 0.01692 0.01216 -0.09501 58 3PX 0.00315 0.04405 0.01134 0.03648 0.04767 59 3PY -0.00935 -0.01975 -0.00855 0.00711 0.07515 60 3PZ -0.02116 -0.00502 0.01307 0.08431 -0.01004 61 4XX 0.00268 -0.00005 0.00022 -0.00440 -0.00056 62 4YY -0.00332 0.00143 0.00081 0.00260 0.01169 63 4ZZ 0.00431 -0.00111 -0.00159 0.00350 -0.00279 64 4XY -0.00059 -0.00365 -0.00091 -0.00120 -0.00320 65 4XZ -0.00067 0.00388 0.00245 -0.00455 0.00024 66 4YZ 0.00094 0.00053 -0.00121 -0.00457 -0.00081 67 8 H 1S -0.03818 -0.00207 0.00458 0.02004 0.13987 68 2S -0.02416 0.00271 0.00596 0.01915 0.14216 69 9 C 1S 0.01410 -0.00516 -0.00043 0.00003 -0.00885 70 2S -0.03009 0.01142 0.00050 0.00168 0.01673 71 2PX -0.01800 0.22939 0.07293 -0.12354 -0.12745 72 2PY 0.01119 0.01034 -0.01419 -0.14018 0.01426 73 2PZ -0.04250 -0.10555 -0.07153 -0.15616 -0.07839 74 3S -0.04060 0.01707 0.00840 0.00239 0.05379 75 3PX 0.00226 0.10343 0.03542 -0.05637 -0.06031 76 3PY 0.00919 -0.00080 -0.01008 -0.06578 0.03114 77 3PZ -0.02054 -0.04033 -0.02590 -0.07065 -0.02681 78 4XX -0.00244 0.00088 -0.00017 -0.00463 -0.00344 79 4YY 0.00212 0.00102 -0.00008 -0.00205 -0.00505 80 4ZZ 0.00061 -0.00332 -0.00083 0.00507 0.00687 81 4XY 0.00150 -0.00302 -0.00087 0.00124 0.00780 82 4XZ 0.00133 0.00828 0.00354 -0.00200 0.00167 83 4YZ 0.00352 0.00012 0.00057 0.00272 0.00142 84 10 H 1S -0.02578 -0.12773 -0.05405 0.01223 0.02406 85 2S -0.01204 -0.10025 -0.04366 0.00924 0.01494 86 11 H 1S -0.03170 0.09953 0.02825 -0.06370 -0.08254 87 2S -0.02294 0.06367 0.00949 -0.04918 -0.07452 88 12 C 1S -0.01410 -0.00516 -0.00043 0.00003 0.00885 89 2S 0.03009 0.01142 0.00050 0.00168 -0.01673 90 2PX 0.01800 0.22939 0.07293 -0.12354 0.12745 91 2PY 0.01119 -0.01034 0.01419 0.14018 0.01426 92 2PZ 0.04250 -0.10555 -0.07153 -0.15616 0.07839 93 3S 0.04060 0.01707 0.00840 0.00239 -0.05379 94 3PX -0.00226 0.10343 0.03542 -0.05637 0.06031 95 3PY 0.00919 0.00080 0.01008 0.06578 0.03114 96 3PZ 0.02054 -0.04033 -0.02590 -0.07065 0.02681 97 4XX 0.00244 0.00088 -0.00017 -0.00463 0.00344 98 4YY -0.00212 0.00102 -0.00008 -0.00205 0.00505 99 4ZZ -0.00061 -0.00332 -0.00083 0.00507 -0.00687 100 4XY 0.00150 0.00302 0.00087 -0.00124 0.00780 101 4XZ -0.00133 0.00828 0.00354 -0.00200 -0.00167 102 4YZ 0.00352 -0.00012 -0.00057 -0.00272 0.00142 103 13 H 1S 0.02578 -0.12773 -0.05405 0.01223 -0.02406 104 2S 0.01204 -0.10025 -0.04366 0.00924 -0.01494 105 14 H 1S 0.03170 0.09954 0.02825 -0.06370 0.08254 106 2S 0.02294 0.06367 0.00949 -0.04918 0.07452 107 15 C 1S 0.00000 0.01987 -0.02040 -0.00014 0.00000 108 2S 0.00000 -0.04360 0.04007 0.00102 0.00000 109 2PX 0.00000 0.00869 0.29899 -0.03915 0.00000 110 2PY 0.19149 0.00000 0.00000 0.00000 -0.00993 111 2PZ 0.00000 -0.19838 0.06923 0.01122 0.00000 112 3S 0.00000 -0.05147 0.05404 0.00650 0.00000 113 3PX 0.00000 -0.00573 0.10989 -0.00775 0.00000 114 3PY 0.08924 0.00000 0.00000 0.00000 0.00178 115 3PZ 0.00000 -0.08660 0.01956 0.01502 0.00000 116 4XX 0.00000 -0.00316 0.02270 -0.00375 0.00000 117 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 118 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 119 4XY -0.00391 0.00000 0.00000 0.00000 -0.00212 120 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 121 4YZ -0.00850 0.00000 0.00000 0.00000 0.00433 122 16 C 1S 0.04334 0.00848 -0.00357 -0.00432 -0.00571 123 2S -0.08673 -0.02294 0.01067 0.00807 0.00806 124 2PX 0.13357 -0.09450 0.13120 -0.02800 0.01138 125 2PY 0.07242 0.02205 -0.00090 0.01148 -0.00264 126 2PZ 0.20086 -0.03050 0.16379 -0.02587 -0.02553 127 3S -0.13910 -0.00856 0.01254 0.01683 0.04802 128 3PX 0.03563 -0.03420 0.04727 -0.00534 0.00372 129 3PY 0.00527 0.00616 -0.00329 -0.00033 0.01917 130 3PZ 0.05306 -0.00399 0.06048 -0.00698 -0.01614 131 4XX 0.01110 0.00027 0.00659 -0.00395 0.00160 132 4YY -0.00182 0.00045 -0.00230 0.00138 -0.00149 133 4ZZ -0.00420 0.00122 -0.00650 0.00176 -0.00185 134 4XY -0.01347 0.00069 -0.00450 0.00022 -0.00121 135 4XZ 0.00595 -0.00537 0.00273 -0.00138 -0.00025 136 4YZ -0.02186 0.00207 -0.00452 0.00011 0.00320 137 17 C 1S -0.04334 0.00848 -0.00357 -0.00432 0.00571 138 2S 0.08673 -0.02293 0.01067 0.00807 -0.00806 139 2PX -0.13357 -0.09450 0.13120 -0.02800 -0.01138 140 2PY 0.07242 -0.02205 0.00089 -0.01148 -0.00264 141 2PZ -0.20086 -0.03050 0.16379 -0.02587 0.02553 142 3S 0.13910 -0.00856 0.01254 0.01683 -0.04802 143 3PX -0.03563 -0.03420 0.04727 -0.00534 -0.00372 144 3PY 0.00527 -0.00616 0.00329 0.00033 0.01917 145 3PZ -0.05306 -0.00399 0.06048 -0.00698 0.01614 146 4XX -0.01110 0.00027 0.00659 -0.00395 -0.00160 147 4YY 0.00182 0.00045 -0.00230 0.00138 0.00149 148 4ZZ 0.00420 0.00122 -0.00650 0.00176 0.00185 149 4XY -0.01347 -0.00069 0.00450 -0.00022 -0.00121 150 4XZ -0.00595 -0.00537 0.00274 -0.00138 0.00025 151 4YZ -0.02186 -0.00207 0.00452 -0.00011 0.00320 152 18 H 1S 0.00000 -0.00166 0.19586 -0.02668 0.00000 153 2S 0.00000 0.00843 0.14793 -0.02503 0.00000 154 19 H 1S -0.18978 0.01004 -0.08954 0.01443 0.01387 155 2S -0.14822 0.01116 -0.07278 0.00771 0.00332 156 20 H 1S 0.18978 0.01004 -0.08954 0.01443 -0.01387 157 2S 0.14822 0.01116 -0.07278 0.00771 -0.00332 158 21 H 1S 0.00000 -0.12925 0.03821 0.00245 0.00000 159 2S 0.00000 -0.07776 0.03193 -0.01652 0.00000 160 22 O 1S 0.01680 -0.01267 0.02331 -0.00419 0.00047 161 2S -0.03654 0.02832 -0.05156 0.00895 -0.00286 162 2PX 0.20194 0.12881 -0.15373 0.02089 -0.04590 163 2PY -0.02965 0.00068 0.02248 0.01389 0.02104 164 2PZ 0.12174 0.05267 -0.18960 0.04673 0.05294 165 3S -0.08737 0.04951 -0.10461 0.01780 0.00121 166 3PX 0.10901 0.07175 -0.08058 0.01162 -0.03278 167 3PY -0.00786 0.00892 0.00851 0.00961 0.01278 168 3PZ 0.05879 0.02980 -0.10566 0.03040 0.03687 169 4XX -0.00009 -0.00067 0.00830 -0.00066 0.00101 170 4YY 0.00227 -0.00028 -0.00208 -0.00071 -0.00156 171 4ZZ 0.00539 -0.00301 0.00038 -0.00005 -0.00122 172 4XY -0.00858 -0.00645 0.00493 -0.00083 0.00145 173 4XZ 0.00199 -0.00354 0.00343 -0.00036 -0.00144 174 4YZ -0.00511 -0.00045 0.00949 -0.00241 -0.00199 175 23 O 1S -0.01680 -0.01267 0.02331 -0.00419 -0.00047 176 2S 0.03654 0.02832 -0.05156 0.00895 0.00286 177 2PX -0.20194 0.12881 -0.15373 0.02089 0.04590 178 2PY -0.02965 -0.00068 -0.02247 -0.01389 0.02104 179 2PZ -0.12175 0.05267 -0.18960 0.04673 -0.05294 180 3S 0.08737 0.04951 -0.10461 0.01780 -0.00121 181 3PX -0.10901 0.07175 -0.08058 0.01162 0.03278 182 3PY -0.00786 -0.00892 -0.00850 -0.00961 0.01278 183 3PZ -0.05879 0.02980 -0.10566 0.03040 -0.03687 184 4XX 0.00009 -0.00067 0.00830 -0.00066 -0.00101 185 4YY -0.00227 -0.00028 -0.00208 -0.00071 0.00156 186 4ZZ -0.00539 -0.00301 0.00038 -0.00005 0.00122 187 4XY -0.00858 0.00645 -0.00493 0.00083 0.00145 188 4XZ -0.00199 -0.00354 0.00343 -0.00036 0.00144 189 4YZ -0.00511 0.00045 -0.00949 0.00241 -0.00199 31 32 33 34 35 O O O O O Eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S -0.00338 -0.00256 -0.00623 0.00443 -0.00778 2 2S 0.00582 0.00655 0.01853 -0.01276 0.01954 3 2PX -0.00251 0.01301 0.05236 -0.01323 -0.09596 4 2PY -0.01290 0.05038 0.13675 -0.05874 0.02132 5 2PZ 0.01549 0.03912 -0.03081 0.01262 0.06733 6 3S 0.01606 0.01081 -0.01223 0.01657 0.01465 7 3PX -0.00158 -0.01051 0.05379 -0.02956 -0.05666 8 3PY -0.00480 0.00966 0.01682 -0.00962 0.00986 9 3PZ 0.00693 -0.01470 -0.01455 0.00025 0.04226 10 4XX -0.00094 0.00035 0.00514 -0.00165 0.00137 11 4YY 0.00197 -0.00346 -0.00662 0.00265 -0.00410 12 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 13 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 14 4XZ 0.00133 0.00138 0.00401 -0.00235 0.00624 15 4YZ -0.00223 0.01022 -0.00122 0.00048 0.00250 16 2 H 1S 0.01387 -0.03208 -0.07863 0.03237 -0.02009 17 2S 0.01012 -0.03590 -0.08717 0.02909 -0.02221 18 3 C 1S -0.00999 0.01764 -0.01083 0.00563 -0.00511 19 2S 0.02443 -0.04016 0.02195 -0.00836 0.01106 20 2PX 0.02173 -0.07887 0.05002 -0.02594 -0.06475 21 2PY 0.11436 -0.19123 0.00069 0.00045 -0.08214 22 2PZ 0.06210 -0.09335 0.01746 -0.01614 0.08543 23 3S 0.01834 -0.06650 0.07765 -0.05453 0.01056 24 3PX 0.00345 -0.03125 0.03147 -0.02535 -0.03996 25 3PY 0.03863 -0.05037 0.01268 -0.00306 -0.03213 26 3PZ 0.02361 -0.02975 0.01973 -0.01900 0.04540 27 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 28 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 29 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 30 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 31 4XZ -0.00264 0.00609 0.00205 -0.00113 0.00290 32 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 33 4 H 1S -0.06114 0.11467 -0.01200 0.01065 0.01681 34 2S -0.05781 0.11959 -0.00973 0.00874 0.01666 35 5 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 36 2S 0.02443 -0.04016 -0.02195 0.00836 0.01106 37 2PX 0.02173 -0.07887 -0.05002 0.02594 -0.06475 38 2PY -0.11437 0.19124 0.00069 0.00045 0.08214 39 2PZ 0.06210 -0.09334 -0.01746 0.01614 0.08543 40 3S 0.01834 -0.06650 -0.07765 0.05453 0.01056 41 3PX 0.00345 -0.03125 -0.03147 0.02535 -0.03996 42 3PY -0.03863 0.05037 0.01268 -0.00307 0.03213 43 3PZ 0.02361 -0.02975 -0.01973 0.01900 0.04540 44 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 45 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 46 4ZZ -0.00360 0.00916 0.00062 -0.00079 0.00378 47 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 48 4XZ -0.00264 0.00609 -0.00205 0.00113 0.00290 49 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 50 6 H 1S -0.06114 0.11467 0.01200 -0.01065 0.01681 51 2S -0.05781 0.11959 0.00973 -0.00874 0.01666 52 7 C 1S -0.00338 -0.00256 0.00623 -0.00443 -0.00778 53 2S 0.00582 0.00655 -0.01853 0.01276 0.01954 54 2PX -0.00251 0.01301 -0.05236 0.01323 -0.09596 55 2PY 0.01290 -0.05039 0.13675 -0.05874 -0.02133 56 2PZ 0.01550 0.03912 0.03081 -0.01262 0.06733 57 3S 0.01606 0.01081 0.01223 -0.01657 0.01465 58 3PX -0.00158 -0.01051 -0.05379 0.02957 -0.05666 59 3PY 0.00480 -0.00966 0.01682 -0.00962 -0.00986 60 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04226 61 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 62 4YY 0.00197 -0.00346 0.00662 -0.00265 -0.00410 63 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 64 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 65 4XZ 0.00133 0.00138 -0.00401 0.00235 0.00624 66 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 67 8 H 1S 0.01387 -0.03208 0.07863 -0.03237 -0.02009 68 2S 0.01012 -0.03590 0.08717 -0.02909 -0.02221 69 9 C 1S 0.00306 -0.02069 -0.00248 0.00130 -0.00272 70 2S -0.00755 0.04516 -0.00036 -0.00386 0.00793 71 2PX 0.08122 -0.04526 0.15595 -0.08167 0.08062 72 2PY -0.07396 0.21892 0.01046 -0.00257 -0.04209 73 2PZ 0.00720 -0.16428 -0.09245 0.04279 -0.06564 74 3S -0.00372 0.08486 0.04621 0.00035 -0.00102 75 3PX 0.03275 -0.01866 0.06140 -0.02252 0.03263 76 3PY -0.03468 0.09033 0.04180 -0.01346 -0.01866 77 3PZ 0.01609 -0.08314 -0.06035 0.02689 -0.02495 78 4XX 0.00435 -0.01048 0.00122 -0.00088 0.00329 79 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 80 4ZZ -0.00110 -0.00220 -0.00012 0.00014 -0.00286 81 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 82 4XZ 0.00447 0.00227 0.00668 -0.00433 0.00978 83 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 84 10 H 1S -0.02004 -0.07973 -0.11099 0.05668 -0.05822 85 2S -0.02532 -0.07535 -0.09567 0.05380 -0.06182 86 11 H 1S 0.06090 -0.08551 0.08472 -0.04665 0.05425 87 2S 0.04165 -0.08607 0.09766 -0.06874 0.05668 88 12 C 1S 0.00306 -0.02069 0.00248 -0.00130 -0.00272 89 2S -0.00755 0.04516 0.00036 0.00386 0.00793 90 2PX 0.08122 -0.04527 -0.15595 0.08167 0.08062 91 2PY 0.07396 -0.21891 0.01045 -0.00256 0.04209 92 2PZ 0.00720 -0.16429 0.09245 -0.04279 -0.06564 93 3S -0.00372 0.08486 -0.04621 -0.00035 -0.00102 94 3PX 0.03275 -0.01866 -0.06140 0.02252 0.03263 95 3PY 0.03468 -0.09033 0.04180 -0.01346 0.01866 96 3PZ 0.01609 -0.08315 0.06036 -0.02689 -0.02495 97 4XX 0.00435 -0.01048 -0.00122 0.00088 0.00329 98 4YY -0.00171 0.00682 0.00236 -0.00079 -0.00059 99 4ZZ -0.00110 -0.00220 0.00012 -0.00014 -0.00286 100 4XY 0.00073 -0.00052 -0.01121 0.00586 0.00004 101 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 102 4YZ -0.00023 -0.00023 0.00379 -0.00186 -0.00002 103 13 H 1S -0.02004 -0.07973 0.11099 -0.05668 -0.05822 104 2S -0.02532 -0.07535 0.09567 -0.05380 -0.06182 105 14 H 1S 0.06090 -0.08551 -0.08472 0.04665 0.05425 106 2S 0.04165 -0.08607 -0.09766 0.06874 0.05668 107 15 C 1S -0.03130 -0.01593 0.00000 0.00000 0.02086 108 2S 0.07640 0.03965 0.00000 0.00000 -0.05254 109 2PX -0.15448 -0.07159 0.00000 0.00000 -0.06521 110 2PY 0.00000 0.00000 -0.06919 -0.17971 0.00000 111 2PZ -0.01810 0.00012 0.00000 0.00000 0.17945 112 3S 0.08254 0.04564 0.00000 0.00000 -0.06787 113 3PX -0.06702 -0.03035 0.00000 0.00000 -0.00660 114 3PY 0.00000 0.00000 -0.02101 -0.00551 0.00000 115 3PZ -0.02680 0.00025 0.00000 0.00000 0.04819 116 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 117 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 118 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01775 119 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 120 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00392 121 4YZ 0.00000 0.00000 -0.00761 0.01714 0.00000 122 16 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 123 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 124 2PX 0.11955 0.02817 -0.05552 0.07432 0.12387 125 2PY -0.23108 -0.11832 -0.00836 0.00354 0.18251 126 2PZ -0.09962 -0.03292 0.08252 0.04468 -0.12771 127 3S -0.05887 -0.02341 0.07144 0.10610 0.00159 128 3PX 0.05942 0.01762 -0.05556 -0.00859 0.08671 129 3PY -0.05968 -0.02882 0.01932 0.05217 0.05864 130 3PZ -0.04602 -0.00577 0.03759 -0.01251 -0.08091 131 4XX 0.01016 0.00359 -0.00612 0.00543 0.00039 132 4YY -0.00909 -0.00439 -0.00395 -0.01151 0.00544 133 4ZZ 0.00693 0.00473 0.00789 0.00274 -0.00897 134 4XY 0.00675 0.00170 0.00604 0.00330 0.00188 135 4XZ 0.00732 0.00269 0.00251 0.00900 -0.00648 136 4YZ 0.00407 0.00262 -0.00412 0.00351 -0.00620 137 17 C 1S 0.01689 0.00694 0.01729 0.03094 -0.00027 138 2S -0.03769 -0.01690 -0.03518 -0.07034 0.00351 139 2PX 0.11955 0.02817 0.05552 -0.07432 0.12387 140 2PY 0.23108 0.11832 -0.00835 0.00355 -0.18251 141 2PZ -0.09961 -0.03292 -0.08252 -0.04468 -0.12771 142 3S -0.05887 -0.02341 -0.07144 -0.10610 0.00159 143 3PX 0.05942 0.01762 0.05556 0.00859 0.08671 144 3PY 0.05969 0.02882 0.01932 0.05216 -0.05864 145 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 146 4XX 0.01016 0.00359 0.00612 -0.00543 0.00039 147 4YY -0.00909 -0.00439 0.00395 0.01151 0.00544 148 4ZZ 0.00693 0.00473 -0.00789 -0.00274 -0.00897 149 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 150 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 151 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 152 18 H 1S -0.05864 -0.02633 0.00000 0.00000 -0.10328 153 2S -0.06677 -0.02973 0.00000 0.00000 -0.09892 154 19 H 1S 0.10332 0.05197 -0.00695 0.00528 -0.04078 155 2S 0.09582 0.05555 -0.01356 -0.00958 -0.05590 156 20 H 1S 0.10332 0.05197 0.00695 -0.00528 -0.04078 157 2S 0.09582 0.05555 0.01356 0.00958 -0.05590 158 21 H 1S 0.05619 0.02390 0.00000 0.00000 0.12007 159 2S 0.05455 0.01111 0.00000 0.00000 0.15196 160 22 O 1S 0.03751 0.01425 -0.01760 -0.03612 -0.01841 161 2S -0.07462 -0.02608 0.03965 0.07270 0.03595 162 2PX -0.04359 -0.02396 0.17543 0.06750 0.13863 163 2PY -0.20892 -0.08342 0.09719 0.41166 0.10604 164 2PZ -0.11691 -0.03178 -0.20953 0.03330 -0.09786 165 3S -0.17860 -0.07433 0.06345 0.13343 0.08452 166 3PX -0.02994 -0.01451 0.12787 0.04961 0.09597 167 3PY -0.12845 -0.05037 0.06190 0.27480 0.06920 168 3PZ -0.07705 -0.02162 -0.13953 0.02380 -0.06027 169 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 170 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 171 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 172 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00211 173 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 174 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 175 23 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 176 2S -0.07462 -0.02608 -0.03965 -0.07270 0.03595 177 2PX -0.04359 -0.02396 -0.17543 -0.06750 0.13863 178 2PY 0.20892 0.08342 0.09718 0.41166 -0.10603 179 2PZ -0.11691 -0.03177 0.20953 -0.03328 -0.09787 180 3S -0.17860 -0.07433 -0.06345 -0.13343 0.08452 181 3PX -0.02994 -0.01451 -0.12787 -0.04961 0.09597 182 3PY 0.12845 0.05037 0.06189 0.27480 -0.06920 183 3PZ -0.07705 -0.02162 0.13953 -0.02379 -0.06027 184 4XX -0.00403 -0.00040 0.00514 -0.00060 -0.01004 185 4YY 0.01542 0.00641 0.00349 0.02028 -0.00698 186 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 187 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 188 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 189 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 1 1 C 1S -0.01043 0.00118 -0.00072 0.01248 -0.01316 2 2S 0.02696 0.00313 0.00765 -0.02322 0.02809 3 2PX 0.08860 0.10026 -0.06197 -0.12502 0.25642 4 2PY 0.05355 0.02348 0.18182 -0.07743 0.08082 5 2PZ 0.10171 0.23178 0.05581 0.04045 -0.15997 6 3S 0.02196 -0.05077 -0.02049 -0.06289 0.04141 7 3PX 0.04268 0.04288 -0.02755 -0.07269 0.19394 8 3PY 0.01134 -0.02972 0.04897 -0.05953 0.02272 9 3PZ 0.03861 0.09630 0.02303 0.03569 -0.14703 10 4XX -0.00064 -0.00142 0.00777 0.01107 -0.00723 11 4YY -0.00225 -0.00267 -0.02072 0.00379 -0.00184 12 4ZZ 0.00156 0.00579 0.00930 -0.01078 0.00813 13 4XY 0.00278 0.00455 0.00177 -0.00378 0.00203 14 4XZ 0.00614 -0.00381 0.00470 -0.00194 -0.00293 15 4YZ 0.00326 0.00689 -0.00267 0.00447 -0.00138 16 2 H 1S -0.02692 -0.02561 -0.15224 0.03721 -0.02188 17 2S -0.04164 -0.03571 -0.16879 0.04308 -0.05193 18 3 C 1S -0.00476 0.00272 0.00196 -0.01120 0.00590 19 2S 0.00545 -0.01588 -0.00791 0.02347 -0.01966 20 2PX -0.04989 -0.14856 -0.00088 -0.19345 0.11968 21 2PY 0.00448 0.01667 -0.21061 0.00889 0.02877 22 2PZ -0.05528 -0.12129 0.02499 0.20517 -0.15114 23 3S 0.04961 0.07021 0.00324 0.05552 0.04888 24 3PX -0.00354 -0.02662 0.00318 -0.12751 0.12084 25 3PY 0.02035 0.04055 -0.07792 -0.00527 0.07360 26 3PZ -0.00506 -0.00322 0.02232 0.13574 -0.09142 27 4XX 0.00022 -0.00152 0.00351 -0.00665 0.01019 28 4YY -0.00207 -0.00040 -0.00856 0.00362 -0.00345 29 4ZZ 0.00243 0.00732 0.00764 0.00066 -0.00537 30 4XY 0.00501 0.01190 0.00292 -0.00789 -0.00667 31 4XZ 0.00311 0.00451 0.00649 -0.00105 0.00071 32 4YZ 0.00530 0.00993 0.00311 0.00356 0.01174 33 4 H 1S 0.05627 0.12072 0.06929 -0.02891 0.02584 34 2S 0.06641 0.15113 0.08112 -0.03231 0.05062 35 5 C 1S 0.00476 -0.00272 0.00196 -0.01120 -0.00590 36 2S -0.00545 0.01588 -0.00791 0.02347 0.01966 37 2PX 0.04989 0.14856 -0.00088 -0.19345 -0.11968 38 2PY 0.00448 0.01666 0.21061 -0.00890 0.02876 39 2PZ 0.05528 0.12129 0.02500 0.20517 0.15114 40 3S -0.04961 -0.07021 0.00324 0.05552 -0.04888 41 3PX 0.00354 0.02662 0.00318 -0.12751 -0.12084 42 3PY 0.02035 0.04055 0.07792 0.00527 0.07359 43 3PZ 0.00507 0.00322 0.02232 0.13574 0.09142 44 4XX -0.00022 0.00152 0.00351 -0.00665 -0.01019 45 4YY 0.00207 0.00040 -0.00856 0.00362 0.00345 46 4ZZ -0.00243 -0.00732 0.00764 0.00066 0.00537 47 4XY 0.00501 0.01190 -0.00292 0.00789 -0.00667 48 4XZ -0.00311 -0.00451 0.00649 -0.00105 -0.00071 49 4YZ 0.00530 0.00993 -0.00311 -0.00356 0.01174 50 6 H 1S -0.05627 -0.12072 0.06929 -0.02891 -0.02584 51 2S -0.06641 -0.15113 0.08112 -0.03231 -0.05062 52 7 C 1S 0.01043 -0.00118 -0.00072 0.01248 0.01316 53 2S -0.02696 -0.00313 0.00765 -0.02322 -0.02809 54 2PX -0.08860 -0.10026 -0.06197 -0.12502 -0.25642 55 2PY 0.05356 0.02348 -0.18182 0.07743 0.08081 56 2PZ -0.10171 -0.23178 0.05580 0.04046 0.15998 57 3S -0.02196 0.05077 -0.02049 -0.06289 -0.04142 58 3PX -0.04268 -0.04288 -0.02755 -0.07269 -0.19394 59 3PY 0.01134 -0.02971 -0.04897 0.05952 0.02271 60 3PZ -0.03861 -0.09630 0.02302 0.03570 0.14703 61 4XX 0.00064 0.00142 0.00777 0.01107 0.00723 62 4YY 0.00225 0.00267 -0.02072 0.00379 0.00184 63 4ZZ -0.00156 -0.00579 0.00930 -0.01078 -0.00813 64 4XY 0.00278 0.00455 -0.00177 0.00378 0.00203 65 4XZ -0.00614 0.00381 0.00470 -0.00194 0.00293 66 4YZ 0.00326 0.00689 0.00267 -0.00447 -0.00138 67 8 H 1S 0.02692 0.02561 -0.15224 0.03721 0.02188 68 2S 0.04164 0.03571 -0.16879 0.04308 0.05193 69 9 C 1S -0.00999 -0.00302 0.00649 0.00204 -0.00752 70 2S 0.02397 0.00984 -0.01910 -0.00731 0.00933 71 2PX 0.14177 -0.16971 0.00755 0.05504 -0.07888 72 2PY -0.01370 -0.01037 -0.27372 0.09270 0.01321 73 2PZ -0.17315 -0.18133 -0.03440 0.01722 0.03513 74 3S 0.05248 0.02786 -0.00792 -0.01556 0.09907 75 3PX 0.07492 -0.08644 0.00320 0.01734 -0.04012 76 3PY -0.01213 0.00216 -0.13289 0.06110 0.01254 77 3PZ -0.06067 -0.11415 -0.03285 -0.01013 0.01887 78 4XX -0.00130 -0.00941 0.00760 0.00246 -0.00620 79 4YY -0.00038 0.00084 -0.01218 0.00278 -0.00399 80 4ZZ -0.00066 0.00559 0.00678 -0.00717 0.00915 81 4XY -0.00981 0.01125 -0.00067 0.00033 0.00312 82 4XZ 0.00982 -0.00252 0.00308 0.00570 -0.01276 83 4YZ 0.01005 0.01132 -0.00382 0.00204 -0.00325 84 10 H 1S -0.14061 -0.00339 0.03761 -0.04876 0.08657 85 2S -0.14961 0.00227 0.04294 -0.04233 0.10180 86 11 H 1S 0.06151 -0.13918 0.06452 0.01833 -0.06722 87 2S 0.01784 -0.12495 0.06740 0.04702 -0.11833 88 12 C 1S 0.00999 0.00302 0.00649 0.00204 0.00752 89 2S -0.02397 -0.00984 -0.01910 -0.00731 -0.00933 90 2PX -0.14177 0.16971 0.00755 0.05504 0.07888 91 2PY -0.01370 -0.01038 0.27372 -0.09270 0.01321 92 2PZ 0.17315 0.18133 -0.03439 0.01722 -0.03513 93 3S -0.05248 -0.02786 -0.00792 -0.01556 -0.09907 94 3PX -0.07492 0.08644 0.00320 0.01734 0.04012 95 3PY -0.01213 0.00216 0.13289 -0.06110 0.01255 96 3PZ 0.06067 0.11415 -0.03284 -0.01013 -0.01887 97 4XX 0.00130 0.00941 0.00760 0.00246 0.00620 98 4YY 0.00038 -0.00084 -0.01218 0.00278 0.00399 99 4ZZ 0.00066 -0.00559 0.00679 -0.00717 -0.00915 100 4XY -0.00981 0.01125 0.00067 -0.00033 0.00312 101 4XZ -0.00982 0.00252 0.00308 0.00570 0.01276 102 4YZ 0.01005 0.01132 0.00382 -0.00204 -0.00325 103 13 H 1S 0.14061 0.00339 0.03761 -0.04876 -0.08657 104 2S 0.14961 -0.00227 0.04294 -0.04233 -0.10180 105 14 H 1S -0.06151 0.13918 0.06452 0.01833 0.06722 106 2S -0.01784 0.12495 0.06740 0.04702 0.11833 107 15 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 108 2S 0.00000 0.00000 0.01383 0.00372 0.00000 109 2PX 0.00000 0.00000 0.03289 0.07150 0.00000 110 2PY -0.01509 -0.00163 0.00000 0.00000 0.00731 111 2PZ 0.00000 0.00000 -0.08194 -0.11323 0.00000 112 3S 0.00000 0.00000 0.01435 0.00062 0.00000 113 3PX 0.00000 0.00000 0.00510 0.00276 0.00000 114 3PY 0.01075 -0.00629 0.00000 0.00000 0.01242 115 3PZ 0.00000 0.00000 -0.02067 -0.01324 0.00000 116 4XX 0.00000 0.00000 0.00861 0.01578 0.00000 117 4YY 0.00000 0.00000 0.00007 0.00386 0.00000 118 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00000 119 4XY -0.00912 0.00346 0.00000 0.00000 -0.00582 120 4XZ 0.00000 0.00000 0.00054 -0.00057 0.00000 121 4YZ 0.01719 -0.00728 0.00000 0.00000 0.00599 122 16 C 1S 0.00393 -0.00532 -0.00346 -0.01309 0.00047 123 2S -0.01436 0.00844 0.00540 0.03296 -0.00361 124 2PX 0.06828 -0.04151 -0.04074 -0.03638 -0.07531 125 2PY 0.02132 -0.01540 -0.07046 -0.02276 0.01352 126 2PZ -0.03286 0.00483 0.01754 -0.00900 0.10138 127 3S 0.03894 0.03292 0.01008 0.03756 -0.00177 128 3PX 0.06157 -0.01581 -0.02908 -0.01482 -0.08052 129 3PY 0.04199 -0.00391 -0.02061 -0.01829 -0.01803 130 3PZ -0.00485 0.02486 0.01762 0.00808 0.07061 131 4XX 0.01180 -0.00671 -0.00323 -0.01368 0.00967 132 4YY -0.00250 0.00149 -0.00236 0.00225 -0.00210 133 4ZZ -0.00724 0.00410 0.00537 0.00947 -0.00514 134 4XY -0.00318 0.00175 -0.00108 0.00084 0.00517 135 4XZ -0.00161 -0.00018 0.00258 0.00409 -0.00505 136 4YZ 0.00352 -0.00072 0.00251 0.00145 -0.00741 137 17 C 1S -0.00393 0.00532 -0.00346 -0.01309 -0.00047 138 2S 0.01436 -0.00844 0.00540 0.03296 0.00361 139 2PX -0.06828 0.04151 -0.04074 -0.03638 0.07531 140 2PY 0.02131 -0.01540 0.07046 0.02276 0.01353 141 2PZ 0.03286 -0.00483 0.01754 -0.00900 -0.10138 142 3S -0.03894 -0.03292 0.01008 0.03756 0.00177 143 3PX -0.06157 0.01581 -0.02908 -0.01482 0.08052 144 3PY 0.04199 -0.00391 0.02061 0.01829 -0.01802 145 3PZ 0.00485 -0.02486 0.01762 0.00808 -0.07062 146 4XX -0.01180 0.00671 -0.00323 -0.01368 -0.00967 147 4YY 0.00250 -0.00149 -0.00236 0.00225 0.00210 148 4ZZ 0.00724 -0.00410 0.00537 0.00947 0.00514 149 4XY -0.00318 0.00175 0.00108 -0.00084 0.00517 150 4XZ 0.00161 0.00018 0.00258 0.00409 0.00505 151 4YZ 0.00352 -0.00072 -0.00251 -0.00145 -0.00741 152 18 H 1S 0.00000 0.00000 0.04716 0.08539 0.00000 153 2S 0.00000 0.00000 0.05042 0.11069 0.00000 154 19 H 1S -0.01308 0.01728 0.03246 0.04364 -0.06508 155 2S -0.00241 0.01914 0.03077 0.03395 -0.06999 156 20 H 1S 0.01308 -0.01728 0.03246 0.04364 0.06508 157 2S 0.00241 -0.01914 0.03077 0.03395 0.06999 158 21 H 1S 0.00000 0.00000 -0.05915 -0.10844 0.00000 159 2S 0.00000 0.00000 -0.07279 -0.14170 0.00000 160 22 O 1S -0.00440 0.00152 0.00621 0.00387 0.00233 161 2S 0.00432 -0.00463 -0.01234 -0.00699 -0.00184 162 2PX -0.17415 0.06324 -0.06114 -0.10720 -0.07182 163 2PY 0.09842 -0.05455 -0.03246 -0.00042 0.00158 164 2PZ 0.24697 -0.11974 0.06058 0.16847 0.07459 165 3S 0.03610 0.00559 -0.02749 -0.02268 -0.02602 166 3PX -0.13312 0.04309 -0.04360 -0.07748 -0.06051 167 3PY 0.06163 -0.03945 -0.02184 0.00022 0.00652 168 3PZ 0.16747 -0.08424 0.04202 0.12560 0.06611 169 4XX 0.00451 -0.00313 0.00401 0.00662 -0.00115 170 4YY -0.00626 0.00197 0.00166 0.00057 0.00071 171 4ZZ -0.00321 0.00022 -0.00221 -0.00374 0.00435 172 4XY 0.00615 -0.00148 0.00085 0.00285 0.00244 173 4XZ -0.00110 0.00037 -0.00081 -0.00131 0.00043 174 4YZ -0.01005 0.00528 -0.00312 -0.00633 -0.00287 175 23 O 1S 0.00440 -0.00152 0.00621 0.00387 -0.00233 176 2S -0.00432 0.00463 -0.01234 -0.00699 0.00184 177 2PX 0.17415 -0.06324 -0.06114 -0.10720 0.07182 178 2PY 0.09843 -0.05455 0.03246 0.00041 0.00158 179 2PZ -0.24697 0.11973 0.06058 0.16847 -0.07459 180 3S -0.03610 -0.00559 -0.02749 -0.02268 0.02602 181 3PX 0.13312 -0.04309 -0.04360 -0.07748 0.06051 182 3PY 0.06164 -0.03945 0.02184 -0.00022 0.00652 183 3PZ -0.16747 0.08424 0.04202 0.12560 -0.06611 184 4XX -0.00451 0.00313 0.00401 0.00662 0.00115 185 4YY 0.00626 -0.00197 0.00166 0.00057 -0.00071 186 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 -0.00435 187 4XY 0.00615 -0.00148 -0.00085 -0.00285 0.00244 188 4XZ 0.00110 -0.00037 -0.00081 -0.00131 -0.00043 189 4YZ -0.01005 0.00528 0.00312 0.00633 -0.00287 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08378 0.11232 1 1 C 1S -0.00472 -0.02868 -0.00880 0.02362 -0.04188 2 2S 0.02221 0.05167 0.04382 -0.04894 0.06230 3 2PX -0.03706 0.29285 0.00771 -0.00129 0.03379 4 2PY -0.00638 0.09313 0.01678 0.07480 -0.08531 5 2PZ 0.02564 -0.18156 -0.01168 0.00262 -0.01082 6 3S -0.04326 0.21347 -0.08589 -0.26264 0.59799 7 3PX -0.01518 0.37272 0.00126 0.00398 0.12812 8 3PY -0.03919 0.10311 -0.02706 0.16936 -0.23974 9 3PZ 0.04473 -0.21538 -0.03728 0.04883 0.06929 10 4XX -0.01126 0.00018 -0.01993 -0.00062 -0.00327 11 4YY 0.00295 -0.00195 0.00423 0.00824 -0.00911 12 4ZZ 0.00571 -0.00746 0.01353 -0.00332 0.00293 13 4XY -0.00115 -0.00500 -0.00004 -0.00251 0.00055 14 4XZ 0.00523 0.00385 0.00879 -0.00656 -0.00084 15 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 16 2 H 1S 0.01303 -0.01334 0.01335 0.02888 -0.02885 17 2S 0.00689 -0.05554 0.01293 0.42889 -0.62078 18 3 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02044 19 2S 0.00985 -0.00465 -0.01376 -0.05095 0.02313 20 2PX 0.15347 -0.12043 0.20343 0.03994 -0.07620 21 2PY 0.02330 -0.03532 0.00586 0.03603 -0.05711 22 2PZ -0.11253 0.10313 -0.15777 0.02657 -0.09757 23 3S 0.02460 -0.03351 0.00389 -0.24361 0.42064 24 3PX 0.12909 -0.17273 0.30031 0.08830 -0.15505 25 3PY 0.00710 -0.02149 0.06007 0.06202 -0.11731 26 3PZ -0.08402 0.14990 -0.17049 0.09425 -0.19304 27 4XX -0.00252 0.01610 0.00010 -0.00056 0.00123 28 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00098 29 4ZZ 0.00269 -0.00941 0.00076 0.00528 -0.00295 30 4XY 0.00496 -0.00830 -0.01074 0.00493 -0.00731 31 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00121 32 4YZ -0.00559 0.01374 0.00904 0.00596 -0.00807 33 4 H 1S -0.00340 0.02130 0.01092 0.02993 -0.02733 34 2S -0.00397 0.06247 0.06752 0.37818 -0.61045 35 5 C 1S -0.00195 0.00460 -0.00662 0.02285 -0.02044 36 2S 0.00985 -0.00465 0.01376 -0.05095 0.02313 37 2PX 0.15347 -0.12043 -0.20343 0.03994 -0.07620 38 2PY -0.02329 0.03532 0.00585 -0.03603 0.05711 39 2PZ -0.11253 0.10313 0.15777 0.02657 -0.09757 40 3S 0.02460 -0.03351 -0.00389 -0.24361 0.42064 41 3PX 0.12909 -0.17273 -0.30030 0.08830 -0.15505 42 3PY -0.00710 0.02148 0.06006 -0.06202 0.11732 43 3PZ -0.08402 0.14991 0.17049 0.09425 -0.19304 44 4XX -0.00252 0.01610 -0.00010 -0.00056 0.00123 45 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00098 46 4ZZ 0.00269 -0.00941 -0.00076 0.00528 -0.00295 47 4XY -0.00496 0.00830 -0.01074 -0.00493 0.00731 48 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00121 49 4YZ 0.00559 -0.01374 0.00904 -0.00596 0.00807 50 6 H 1S -0.00340 0.02130 -0.01092 0.02993 -0.02733 51 2S -0.00397 0.06247 -0.06752 0.37818 -0.61045 52 7 C 1S -0.00472 -0.02868 0.00880 0.02362 -0.04188 53 2S 0.02221 0.05167 -0.04382 -0.04894 0.06230 54 2PX -0.03706 0.29285 -0.00771 -0.00129 0.03379 55 2PY 0.00638 -0.09313 0.01678 -0.07480 0.08531 56 2PZ 0.02564 -0.18156 0.01168 0.00262 -0.01081 57 3S -0.04326 0.21347 0.08589 -0.26265 0.59799 58 3PX -0.01518 0.37272 -0.00126 0.00398 0.12812 59 3PY 0.03919 -0.10310 -0.02706 -0.16936 0.23974 60 3PZ 0.04473 -0.21539 0.03729 0.04882 0.06930 61 4XX -0.01126 0.00018 0.01993 -0.00062 -0.00327 62 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00911 63 4ZZ 0.00571 -0.00746 -0.01353 -0.00332 0.00293 64 4XY 0.00115 0.00500 -0.00004 0.00251 -0.00055 65 4XZ 0.00523 0.00385 -0.00879 -0.00656 -0.00084 66 4YZ 0.00006 -0.00467 0.00027 -0.00384 -0.00171 67 8 H 1S 0.01303 -0.01334 -0.01335 0.02888 -0.02885 68 2S 0.00689 -0.05554 -0.01293 0.42889 -0.62078 69 9 C 1S -0.01157 0.01411 -0.01542 0.05242 0.00921 70 2S 0.02705 -0.02558 0.03231 -0.07738 -0.00303 71 2PX -0.00739 0.01030 -0.02050 -0.09419 -0.10188 72 2PY 0.00756 -0.01790 -0.02726 0.05154 0.02532 73 2PZ -0.04302 0.02628 -0.05413 -0.08096 0.00525 74 3S 0.03916 -0.12990 0.14380 -0.73829 -0.26489 75 3PX -0.01335 0.01224 -0.05388 -0.18144 -0.21140 76 3PY 0.00260 0.01352 -0.04797 0.19720 0.15839 77 3PZ -0.03373 0.01985 -0.04196 -0.16101 0.07283 78 4XX -0.00183 -0.00650 -0.00244 0.01073 0.00045 79 4YY 0.00255 -0.00565 0.00081 -0.00369 -0.00067 80 4ZZ -0.00267 0.01495 0.00075 0.00228 -0.00187 81 4XY -0.00040 -0.00587 0.00101 -0.00322 -0.00055 82 4XZ 0.00393 -0.01388 0.00244 0.00026 0.00083 83 4YZ 0.00100 -0.00202 0.00226 -0.00682 0.00837 84 10 H 1S -0.01965 0.06087 -0.01284 0.01247 -0.01631 85 2S -0.04990 0.20038 -0.09828 0.34460 -0.17658 86 11 H 1S 0.00223 -0.02835 -0.00550 0.03639 0.00739 87 2S 0.02552 -0.04313 -0.00650 0.67004 0.35021 88 12 C 1S -0.01157 0.01411 0.01542 0.05242 0.00921 89 2S 0.02705 -0.02558 -0.03231 -0.07738 -0.00303 90 2PX -0.00739 0.01030 0.02050 -0.09419 -0.10188 91 2PY -0.00756 0.01790 -0.02726 -0.05154 -0.02532 92 2PZ -0.04302 0.02628 0.05413 -0.08097 0.00525 93 3S 0.03916 -0.12991 -0.14380 -0.73829 -0.26489 94 3PX -0.01335 0.01224 0.05388 -0.18144 -0.21140 95 3PY -0.00260 -0.01352 -0.04797 -0.19720 -0.15839 96 3PZ -0.03373 0.01985 0.04196 -0.16102 0.07282 97 4XX -0.00183 -0.00650 0.00244 0.01073 0.00045 98 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 99 4ZZ -0.00267 0.01495 -0.00075 0.00228 -0.00187 100 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 101 4XZ 0.00393 -0.01388 -0.00244 0.00026 0.00083 102 4YZ -0.00100 0.00202 0.00226 0.00682 -0.00837 103 13 H 1S -0.01965 0.06087 0.01284 0.01247 -0.01631 104 2S -0.04990 0.20038 0.09827 0.34460 -0.17658 105 14 H 1S 0.00223 -0.02835 0.00550 0.03639 0.00739 106 2S 0.02552 -0.04313 0.00650 0.67004 0.35021 107 15 C 1S 0.00839 -0.00001 0.00000 0.05870 0.04879 108 2S -0.02048 -0.00328 0.00000 -0.10857 -0.07178 109 2PX 0.07239 0.00106 0.00000 -0.05292 -0.05267 110 2PY 0.00000 0.00000 0.06576 0.00000 0.00000 111 2PZ -0.02596 0.02195 0.00000 -0.19215 -0.16881 112 3S -0.04373 0.02257 0.00000 -0.80831 -0.80857 113 3PX 0.01174 0.01859 0.00000 -0.17738 -0.14500 114 3PY 0.00000 0.00000 0.11933 0.00001 0.00001 115 3PZ 0.05639 0.04091 0.00000 -0.48220 -0.43517 116 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 117 4YY 0.00231 0.00338 0.00000 0.00118 -0.00217 118 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 119 4XY 0.00000 0.00000 0.01363 0.00000 0.00000 120 4XZ 0.00047 0.00053 0.00000 -0.00823 -0.00557 121 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 122 16 C 1S 0.01561 0.01166 0.05212 0.01390 -0.00960 123 2S -0.02636 -0.03783 -0.11165 -0.04164 0.00097 124 2PX 0.22000 0.15868 0.23731 0.01567 -0.06760 125 2PY 0.08634 0.03384 0.07431 0.03085 -0.05608 126 2PZ -0.17710 -0.09908 -0.20977 0.03481 -0.11984 127 3S -0.11584 0.00283 -0.27489 -0.14093 0.29372 128 3PX 0.14336 0.20305 0.31510 0.07927 -0.14865 129 3PY 0.07612 0.00777 0.23625 0.04995 -0.12634 130 3PZ -0.13606 -0.08002 -0.11707 0.10463 -0.27847 131 4XX -0.00838 0.00551 0.00422 0.00188 0.00358 132 4YY 0.00092 -0.00097 0.00407 -0.00079 -0.00558 133 4ZZ 0.01024 0.00183 0.00641 0.00347 -0.00128 134 4XY 0.01162 0.01368 -0.01144 0.00154 -0.00287 135 4XZ 0.00281 -0.01141 0.00575 -0.00155 0.00412 136 4YZ -0.01258 -0.01066 0.00816 0.00258 -0.01277 137 17 C 1S 0.01561 0.01166 -0.05213 0.01390 -0.00960 138 2S -0.02636 -0.03783 0.11165 -0.04164 0.00097 139 2PX 0.22000 0.15868 -0.23731 0.01567 -0.06760 140 2PY -0.08633 -0.03383 0.07430 -0.03085 0.05608 141 2PZ -0.17710 -0.09908 0.20978 0.03480 -0.11984 142 3S -0.11584 0.00283 0.27489 -0.14093 0.29372 143 3PX 0.14336 0.20305 -0.31510 0.07927 -0.14865 144 3PY -0.07612 -0.00776 0.23624 -0.04995 0.12635 145 3PZ -0.13606 -0.08002 0.11708 0.10462 -0.27847 146 4XX -0.00838 0.00551 -0.00422 0.00188 0.00358 147 4YY 0.00091 -0.00097 -0.00407 -0.00079 -0.00558 148 4ZZ 0.01024 0.00183 -0.00641 0.00347 -0.00128 149 4XY -0.01162 -0.01368 -0.01144 -0.00154 0.00287 150 4XZ 0.00281 -0.01141 -0.00575 -0.00155 0.00413 151 4YZ 0.01258 0.01066 0.00816 -0.00258 0.01277 152 18 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 153 2S 0.14832 0.00357 0.00000 0.46144 0.42988 154 19 H 1S 0.00984 -0.02415 0.06324 0.00918 -0.03359 155 2S 0.04017 -0.05985 0.35373 0.28070 -0.60422 156 20 H 1S 0.00984 -0.02415 -0.06324 0.00918 -0.03359 157 2S 0.04017 -0.05985 -0.35373 0.28070 -0.60422 158 21 H 1S -0.08859 -0.01615 0.00000 0.02914 0.04104 159 2S -0.16277 -0.08594 0.00000 0.84935 0.84396 160 22 O 1S -0.00598 0.00574 0.01755 0.01154 -0.00908 161 2S 0.00548 -0.00824 -0.04327 -0.03193 0.00992 162 2PX -0.18581 -0.01613 0.12507 0.01592 -0.06026 163 2PY 0.02665 0.01482 0.01590 0.01248 -0.02723 164 2PZ 0.21710 0.08072 -0.08196 0.00359 -0.00483 165 3S 0.06524 -0.07379 -0.11189 -0.11294 0.12145 166 3PX -0.15619 -0.00520 0.10863 0.03681 -0.07010 167 3PY 0.01187 0.02618 0.00819 0.07041 -0.05140 168 3PZ 0.17793 0.09788 -0.09527 0.04666 0.02237 169 4XX -0.00410 -0.00187 0.01483 -0.00271 -0.00460 170 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 171 4ZZ -0.00104 0.00593 -0.00725 -0.00047 -0.00323 172 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00354 173 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 174 4YZ -0.00294 0.00122 0.00246 0.00326 0.00296 175 23 O 1S -0.00598 0.00574 -0.01755 0.01154 -0.00908 176 2S 0.00548 -0.00824 0.04327 -0.03193 0.00992 177 2PX -0.18581 -0.01613 -0.12507 0.01592 -0.06026 178 2PY -0.02665 -0.01482 0.01590 -0.01248 0.02723 179 2PZ 0.21710 0.08072 0.08196 0.00359 -0.00483 180 3S 0.06523 -0.07379 0.11190 -0.11294 0.12145 181 3PX -0.15619 -0.00520 -0.10863 0.03681 -0.07010 182 3PY -0.01188 -0.02619 0.00819 -0.07041 0.05140 183 3PZ 0.17793 0.09788 0.09527 0.04666 0.02238 184 4XX -0.00410 -0.00187 -0.01483 -0.00271 -0.00460 185 4YY -0.00348 0.00090 0.00163 -0.00300 -0.00383 186 4ZZ -0.00104 0.00593 0.00725 -0.00047 -0.00323 187 4XY -0.00705 0.00053 -0.00326 0.00059 0.00354 188 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 189 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12246 0.12316 0.13517 0.14424 1 1 C 1S -0.01241 0.01043 0.00405 -0.00801 -0.01006 2 2S 0.02187 -0.01822 -0.01702 0.02439 0.01471 3 2PX 0.20669 -0.13155 -0.04458 0.02642 0.03317 4 2PY 0.06486 -0.07509 -0.06377 -0.02523 0.00244 5 2PZ -0.09824 0.06751 -0.02118 -0.02584 0.01731 6 3S 0.13119 -0.09174 -0.00530 0.04218 0.14327 7 3PX 0.26575 -0.25691 -0.07838 0.11187 -0.05449 8 3PY 0.13977 -0.21345 -0.13781 -0.09395 -0.01967 9 3PZ -0.14775 0.00954 0.04880 -0.18964 -0.00187 10 4XX 0.00751 -0.00131 0.00520 -0.00037 -0.00387 11 4YY 0.00257 -0.00273 -0.00864 -0.00710 0.00507 12 4ZZ -0.01374 0.00790 0.00157 0.00657 -0.00245 13 4XY -0.00786 0.00716 0.01057 -0.00574 0.00282 14 4XZ 0.00242 -0.00426 0.00487 0.00070 0.00048 15 4YZ 0.00725 -0.00381 0.00074 0.00433 -0.00346 16 2 H 1S 0.01968 -0.01721 -0.02651 -0.02468 0.01510 17 2S 0.09658 -0.19927 -0.19804 -0.22098 -0.05306 18 3 C 1S -0.01472 0.01343 -0.03545 -0.01152 0.01725 19 2S 0.02930 -0.03708 0.05297 0.02271 -0.04594 20 2PX -0.20626 0.06449 -0.03815 -0.04251 -0.01094 21 2PY 0.01533 -0.01217 -0.04984 -0.01765 0.02897 22 2PZ 0.17835 -0.06582 -0.10322 0.00496 0.07776 23 3S 0.08409 -0.07656 0.54931 0.13733 -0.28578 24 3PX -0.36939 0.17338 -0.09595 -0.06050 0.04038 25 3PY -0.00936 0.03595 -0.19846 -0.03520 0.12839 26 3PZ 0.25885 -0.09450 -0.21209 -0.02201 0.10552 27 4XX 0.00910 -0.00564 -0.00671 -0.00170 0.00609 28 4YY -0.00704 0.00491 0.00453 0.00139 -0.00422 29 4ZZ -0.00669 0.00219 -0.00542 -0.00081 -0.00409 30 4XY 0.00974 -0.00311 -0.00605 -0.00814 0.00192 31 4XZ 0.00165 -0.00401 -0.00391 -0.00211 -0.00251 32 4YZ -0.00497 0.00068 -0.00978 0.00140 0.00319 33 4 H 1S -0.01556 -0.00639 -0.05052 -0.02522 0.00284 34 2S -0.04241 0.04720 -0.70994 -0.19455 0.35528 35 5 C 1S 0.01472 -0.01343 -0.03545 -0.01152 0.01725 36 2S -0.02930 0.03708 0.05296 0.02271 -0.04594 37 2PX 0.20626 -0.06449 -0.03815 -0.04251 -0.01094 38 2PY 0.01534 -0.01217 0.04985 0.01765 -0.02898 39 2PZ -0.17835 0.06582 -0.10323 0.00496 0.07776 40 3S -0.08410 0.07658 0.54931 0.13733 -0.28578 41 3PX 0.36939 -0.17338 -0.09594 -0.06050 0.04039 42 3PY -0.00936 0.03596 0.19847 0.03520 -0.12839 43 3PZ -0.25885 0.09450 -0.21209 -0.02201 0.10552 44 4XX -0.00910 0.00564 -0.00671 -0.00170 0.00609 45 4YY 0.00704 -0.00491 0.00453 0.00139 -0.00422 46 4ZZ 0.00669 -0.00219 -0.00542 -0.00081 -0.00409 47 4XY 0.00974 -0.00311 0.00605 0.00814 -0.00192 48 4XZ -0.00165 0.00401 -0.00391 -0.00211 -0.00251 49 4YZ -0.00497 0.00068 0.00978 -0.00140 -0.00319 50 6 H 1S 0.01556 0.00639 -0.05052 -0.02522 0.00284 51 2S 0.04242 -0.04722 -0.70993 -0.19455 0.35529 52 7 C 1S 0.01241 -0.01043 0.00405 -0.00801 -0.01006 53 2S -0.02187 0.01822 -0.01702 0.02439 0.01471 54 2PX -0.20669 0.13155 -0.04458 0.02642 0.03317 55 2PY 0.06485 -0.07508 0.06377 0.02523 -0.00244 56 2PZ 0.09824 -0.06751 -0.02118 -0.02584 0.01731 57 3S -0.13119 0.09174 -0.00531 0.04218 0.14326 58 3PX -0.26575 0.25691 -0.07839 0.11187 -0.05449 59 3PY 0.13976 -0.21345 0.13781 0.09396 0.01966 60 3PZ 0.14776 -0.00955 0.04881 -0.18963 -0.00187 61 4XX -0.00751 0.00131 0.00520 -0.00037 -0.00387 62 4YY -0.00257 0.00273 -0.00864 -0.00710 0.00507 63 4ZZ 0.01374 -0.00790 0.00157 0.00657 -0.00245 64 4XY -0.00786 0.00716 -0.01057 0.00574 -0.00282 65 4XZ -0.00242 0.00426 0.00487 0.00070 0.00048 66 4YZ 0.00725 -0.00381 -0.00074 -0.00433 0.00346 67 8 H 1S -0.01968 0.01721 -0.02651 -0.02468 0.01510 68 2S -0.09658 0.19926 -0.19805 -0.22098 -0.05304 69 9 C 1S -0.00825 -0.02081 0.01871 -0.03954 -0.00565 70 2S 0.00744 0.00494 -0.01716 0.04340 0.00173 71 2PX 0.04527 0.02643 0.11927 -0.11347 0.09430 72 2PY 0.05815 -0.05295 0.02589 -0.06765 -0.01919 73 2PZ 0.02604 0.01172 -0.14053 0.08815 0.01756 74 3S 0.13069 0.44719 -0.40099 0.70585 0.14617 75 3PX 0.14920 0.08565 0.34160 -0.30785 0.28076 76 3PY 0.15453 -0.10064 0.13720 -0.19200 -0.03920 77 3PZ 0.04693 -0.01257 -0.36405 0.20461 0.03936 78 4XX -0.00360 -0.00004 0.00593 -0.00341 -0.00483 79 4YY -0.00718 0.00134 0.00094 -0.00205 -0.00170 80 4ZZ 0.00924 -0.00875 -0.00219 -0.00287 0.00399 81 4XY -0.00508 0.00122 0.01139 -0.00253 0.00577 82 4XZ -0.00816 0.00741 -0.01280 -0.00043 0.00028 83 4YZ -0.00192 0.00064 -0.00399 0.00403 0.00053 84 10 H 1S 0.04440 -0.03860 0.06346 -0.02405 0.01624 85 2S 0.19348 -0.20929 0.88265 -0.81914 0.17493 86 11 H 1S -0.02404 0.01409 -0.03251 0.00355 -0.02959 87 2S -0.18896 -0.24195 -0.18539 -0.04943 -0.45199 88 12 C 1S 0.00825 0.02081 0.01871 -0.03954 -0.00565 89 2S -0.00744 -0.00494 -0.01716 0.04340 0.00173 90 2PX -0.04527 -0.02643 0.11927 -0.11347 0.09430 91 2PY 0.05816 -0.05295 -0.02588 0.06765 0.01919 92 2PZ -0.02604 -0.01173 -0.14053 0.08816 0.01756 93 3S -0.13069 -0.44720 -0.40097 0.70585 0.14617 94 3PX -0.14921 -0.08564 0.34160 -0.30785 0.28076 95 3PY 0.15453 -0.10064 -0.13718 0.19199 0.03920 96 3PZ -0.04693 0.01256 -0.36406 0.20462 0.03936 97 4XX 0.00360 0.00004 0.00593 -0.00341 -0.00483 98 4YY 0.00718 -0.00134 0.00094 -0.00205 -0.00170 99 4ZZ -0.00924 0.00875 -0.00219 -0.00287 0.00399 100 4XY -0.00508 0.00122 -0.01139 0.00253 -0.00577 101 4XZ 0.00816 -0.00741 -0.01280 -0.00043 0.00028 102 4YZ -0.00192 0.00064 0.00399 -0.00403 -0.00053 103 13 H 1S -0.04440 0.03860 0.06346 -0.02405 0.01624 104 2S -0.19349 0.20932 0.88264 -0.81913 0.17493 105 14 H 1S 0.02404 -0.01409 -0.03251 0.00355 -0.02959 106 2S 0.18896 0.24195 -0.18539 -0.04943 -0.45199 107 15 C 1S 0.00000 0.00000 0.00922 0.05793 0.06459 108 2S 0.00000 0.00000 -0.04200 -0.09731 -0.09102 109 2PX 0.00000 0.00000 -0.09026 -0.07814 -0.24185 110 2PY 0.22815 0.34653 -0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00001 0.03440 0.03544 0.13722 112 3S 0.00000 0.00000 -0.08865 -0.79186 -0.99103 113 3PX 0.00000 -0.00001 -0.33436 -0.13290 -0.61815 114 3PY 0.62472 0.89006 -0.00001 0.00000 -0.00001 115 3PZ 0.00001 0.00002 0.07127 0.07096 0.31583 116 4XX 0.00000 0.00000 0.00475 0.00394 0.01355 117 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 118 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 119 4XY 0.01713 0.01392 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 -0.00444 0.00494 0.00598 121 4YZ 0.01048 0.02310 0.00000 0.00000 0.00000 122 16 C 1S 0.04794 -0.00479 0.00435 0.02435 0.04021 123 2S -0.10827 0.00048 -0.02722 -0.02954 -0.08335 124 2PX 0.06053 -0.25259 0.06298 0.06636 -0.11905 125 2PY 0.09222 0.04988 0.00973 0.09772 0.05145 126 2PZ -0.10919 0.05714 0.08009 0.17974 -0.10592 127 3S -0.37773 0.13580 -0.07331 -0.54018 -0.46698 128 3PX 0.18604 -0.44210 0.14763 0.22749 -0.28787 129 3PY 0.15627 0.23152 0.04386 0.24362 0.21887 130 3PZ 0.02105 0.07077 0.19158 0.38935 -0.20634 131 4XX 0.00752 -0.00244 -0.00621 0.00002 0.00834 132 4YY -0.00149 -0.00781 -0.00050 0.00530 -0.01141 133 4ZZ 0.00679 0.00148 0.00663 0.00097 0.00473 134 4XY 0.00013 0.01185 0.00432 0.01083 -0.01372 135 4XZ 0.00120 0.00907 -0.00759 0.00081 0.01366 136 4YZ 0.00254 -0.00011 0.01331 0.01507 -0.01041 137 17 C 1S -0.04794 0.00479 0.00434 0.02435 0.04022 138 2S 0.10827 -0.00048 -0.02722 -0.02954 -0.08335 139 2PX -0.06053 0.25259 0.06297 0.06636 -0.11905 140 2PY 0.09222 0.04988 -0.00974 -0.09773 -0.05144 141 2PZ 0.10919 -0.05713 0.08009 0.17973 -0.10592 142 3S 0.37773 -0.13581 -0.07330 -0.54018 -0.46699 143 3PX -0.18604 0.44210 0.14761 0.22749 -0.28787 144 3PY 0.15627 0.23152 -0.04387 -0.24363 -0.21886 145 3PZ -0.02104 -0.07075 0.19158 0.38935 -0.20634 146 4XX -0.00752 0.00244 -0.00621 0.00002 0.00834 147 4YY 0.00149 0.00781 -0.00050 0.00530 -0.01141 148 4ZZ -0.00679 -0.00148 0.00663 0.00097 0.00473 149 4XY 0.00013 0.01185 -0.00432 -0.01083 0.01372 150 4XZ -0.00120 -0.00907 -0.00759 0.00081 0.01366 151 4YZ 0.00254 -0.00011 -0.01331 -0.01507 0.01041 152 18 H 1S 0.00000 0.00000 0.01443 0.00763 0.07892 153 2S 0.00000 0.00001 0.46073 0.59994 1.41908 154 19 H 1S 0.04685 0.03231 0.03819 0.05617 -0.00896 155 2S 0.41312 0.11799 0.35409 0.94718 0.08382 156 20 H 1S -0.04685 -0.03231 0.03819 0.05617 -0.00896 157 2S -0.41312 -0.11798 0.35409 0.94718 0.08383 158 21 H 1S 0.00000 0.00000 -0.01377 0.00902 0.02088 159 2S 0.00000 0.00000 -0.15933 0.24446 -0.09554 160 22 O 1S 0.04225 0.06536 0.01860 0.00218 -0.04984 161 2S -0.06944 -0.08841 -0.03272 -0.01870 0.07547 162 2PX -0.00186 -0.09455 0.07722 0.07939 -0.09374 163 2PY 0.07136 0.08563 0.04931 -0.00007 -0.07173 164 2PZ -0.07571 -0.04195 0.01108 0.03753 -0.10707 165 3S -0.44627 -0.81418 -0.23667 -0.00227 0.59809 166 3PX -0.05134 -0.13201 0.12565 0.14091 -0.12568 167 3PY 0.13407 0.21682 0.10621 0.02041 -0.15245 168 3PZ -0.13526 -0.06377 0.01442 0.05125 -0.19972 169 4XX 0.02419 0.02281 0.00578 -0.00588 -0.02160 170 4YY 0.00311 0.01306 -0.00001 -0.00294 -0.01109 171 4ZZ 0.01339 0.03606 0.00574 -0.00764 -0.01768 172 4XY 0.00078 -0.00037 0.00395 0.00725 0.00875 173 4XZ 0.00908 0.00782 -0.00539 -0.00310 -0.00242 174 4YZ 0.00293 0.00179 -0.00258 0.00064 -0.00283 175 23 O 1S -0.04225 -0.06536 0.01860 0.00218 -0.04984 176 2S 0.06944 0.08841 -0.03273 -0.01870 0.07547 177 2PX 0.00186 0.09455 0.07722 0.07939 -0.09374 178 2PY 0.07136 0.08563 -0.04931 0.00007 0.07173 179 2PZ 0.07571 0.04195 0.01108 0.03753 -0.10706 180 3S 0.44627 0.81417 -0.23669 -0.00227 0.59809 181 3PX 0.05134 0.13201 0.12564 0.14091 -0.12568 182 3PY 0.13407 0.21681 -0.10621 -0.02041 0.15246 183 3PZ 0.13527 0.06378 0.01441 0.05125 -0.19971 184 4XX -0.02419 -0.02281 0.00578 -0.00588 -0.02160 185 4YY -0.00311 -0.01306 -0.00001 -0.00294 -0.01109 186 4ZZ -0.01339 -0.03606 0.00575 -0.00764 -0.01768 187 4XY 0.00078 -0.00037 -0.00395 -0.00725 -0.00875 188 4XZ -0.00908 -0.00782 -0.00539 -0.00310 -0.00242 189 4YZ 0.00293 0.00179 0.00258 -0.00064 0.00283 51 52 53 54 55 V V V V V Eigenvalues -- 0.14525 0.16394 0.17144 0.17764 0.19270 1 1 C 1S 0.04503 -0.01274 -0.08277 -0.00567 0.01577 2 2S -0.06344 0.01535 0.09999 0.03023 -0.05213 3 2PX -0.07403 -0.05077 -0.02173 -0.03492 -0.00216 4 2PY 0.20027 -0.00294 -0.07369 -0.05769 -0.07589 5 2PZ 0.04238 0.03333 0.10836 -0.03265 0.03257 6 3S -0.86602 0.25148 1.44152 -0.00780 0.00384 7 3PX -0.12918 -0.09746 -0.09350 -0.07812 0.09260 8 3PY 0.60181 0.06294 -0.25381 -0.33128 -0.02697 9 3PZ 0.00891 0.04851 0.22287 -0.36981 0.04453 10 4XX 0.00488 0.00114 -0.00527 0.00106 0.00506 11 4YY 0.00187 0.00042 -0.00065 0.00267 -0.01113 12 4ZZ 0.00171 -0.00449 -0.01047 -0.00257 0.00737 13 4XY -0.00122 -0.00341 0.00076 0.00455 -0.00474 14 4XZ -0.00652 -0.00018 -0.00084 -0.00032 0.00377 15 4YZ 0.00442 -0.00439 -0.00510 0.01351 -0.00338 16 2 H 1S 0.02117 0.00172 -0.02367 0.01788 -0.04066 17 2S 1.13255 -0.02829 -0.85870 -0.32447 -0.14195 18 3 C 1S 0.02425 0.01342 0.03540 0.04225 -0.05795 19 2S -0.03790 0.03153 -0.03291 -0.06380 0.07419 20 2PX 0.06623 0.07772 0.04042 -0.02960 -0.07377 21 2PY 0.06666 0.04462 0.08609 -0.01234 -0.06308 22 2PZ 0.06127 0.00047 0.03381 0.05977 -0.06877 23 3S -0.58882 -0.40579 -0.73675 -0.58851 0.87173 24 3PX 0.25313 0.05587 0.05154 0.06332 -0.24374 25 3PY -0.06282 0.14060 0.35770 0.05289 -0.20161 26 3PZ 0.23345 0.02445 0.02642 0.27864 -0.43098 27 4XX 0.00007 -0.00263 -0.00019 -0.00112 -0.00857 28 4YY -0.00806 0.00632 -0.00049 0.01160 -0.00477 29 4ZZ 0.00483 0.00783 0.00684 0.00000 -0.00218 30 4XY -0.00076 0.00554 0.00138 0.00028 0.00198 31 4XZ -0.00005 0.00677 0.00325 -0.00108 -0.00454 32 4YZ -0.00102 -0.00218 -0.00822 -0.00325 0.00261 33 4 H 1S 0.00644 0.03754 0.01574 0.00140 -0.04622 34 2S 0.59135 0.33135 0.60681 0.47282 -1.01053 35 5 C 1S -0.02425 0.01342 0.03540 -0.04225 0.05795 36 2S 0.03790 0.03153 -0.03291 0.06380 -0.07419 37 2PX -0.06623 0.07772 0.04042 0.02960 0.07377 38 2PY 0.06666 -0.04462 -0.08609 -0.01234 -0.06309 39 2PZ -0.06127 0.00047 0.03381 -0.05977 0.06877 40 3S 0.58881 -0.40579 -0.73675 0.58851 -0.87173 41 3PX -0.25313 0.05587 0.05154 -0.06332 0.24374 42 3PY -0.06281 -0.14060 -0.35770 0.05290 -0.20163 43 3PZ -0.23345 0.02445 0.02641 -0.27864 0.43098 44 4XX -0.00007 -0.00263 -0.00019 0.00112 0.00857 45 4YY 0.00806 0.00632 -0.00049 -0.01160 0.00477 46 4ZZ -0.00483 0.00783 0.00684 0.00000 0.00218 47 4XY -0.00076 -0.00554 -0.00138 0.00028 0.00198 48 4XZ 0.00005 0.00677 0.00325 0.00108 0.00454 49 4YZ -0.00102 0.00218 0.00822 -0.00325 0.00261 50 6 H 1S -0.00644 0.03754 0.01574 -0.00140 0.04622 51 2S -0.59135 0.33135 0.60681 -0.47282 1.01053 52 7 C 1S -0.04503 -0.01274 -0.08277 0.00567 -0.01577 53 2S 0.06344 0.01535 0.09999 -0.03023 0.05213 54 2PX 0.07403 -0.05077 -0.02173 0.03492 0.00216 55 2PY 0.20027 0.00294 0.07369 -0.05769 -0.07589 56 2PZ -0.04237 0.03333 0.10837 0.03265 -0.03257 57 3S 0.86603 0.25148 1.44152 0.00780 -0.00384 58 3PX 0.12918 -0.09746 -0.09350 0.07812 -0.09260 59 3PY 0.60181 -0.06294 0.25380 -0.33129 -0.02697 60 3PZ -0.00889 0.04850 0.22288 0.36980 -0.04453 61 4XX -0.00488 0.00114 -0.00527 -0.00106 -0.00506 62 4YY -0.00187 0.00042 -0.00065 -0.00267 0.01113 63 4ZZ -0.00171 -0.00449 -0.01047 0.00257 -0.00737 64 4XY -0.00122 0.00341 -0.00076 0.00455 -0.00474 65 4XZ 0.00652 -0.00018 -0.00084 0.00032 -0.00377 66 4YZ 0.00442 0.00439 0.00510 0.01351 -0.00338 67 8 H 1S -0.02117 0.00172 -0.02367 -0.01788 0.04066 68 2S -1.13255 -0.02829 -0.85870 0.32447 0.14195 69 9 C 1S 0.00352 -0.00213 0.03762 -0.11465 0.00882 70 2S 0.02170 -0.01216 -0.03722 0.09204 0.00021 71 2PX -0.03254 -0.01432 0.09149 0.00513 -0.01488 72 2PY 0.07349 -0.00882 0.04079 0.04689 -0.09718 73 2PZ -0.05407 0.08230 0.06547 0.10605 -0.01341 74 3S -0.25080 0.12599 -0.62768 2.23056 -0.21054 75 3PX -0.11661 0.05139 0.31201 -0.07395 -0.16639 76 3PY -0.05574 -0.03149 0.28546 0.46142 -0.31939 77 3PZ -0.09319 0.16446 0.27482 0.21922 0.05665 78 4XX 0.00716 0.00076 -0.00269 -0.00209 -0.00103 79 4YY -0.00723 -0.00271 -0.00300 -0.01886 0.00931 80 4ZZ 0.00476 -0.00095 0.01230 -0.00191 -0.00650 81 4XY 0.00052 0.00303 0.01179 0.00046 0.00074 82 4XZ 0.00385 -0.00085 0.00567 0.00039 -0.00394 83 4YZ -0.00037 0.00453 0.01439 -0.00167 0.00249 84 10 H 1S -0.00951 -0.00344 -0.00525 -0.00688 -0.01237 85 2S 0.07287 -0.20797 0.31208 -0.87871 -0.19383 86 11 H 1S 0.02072 -0.01306 -0.03990 -0.00289 -0.00957 87 2S 0.26002 -0.16324 -0.16958 -0.67485 -0.00794 88 12 C 1S -0.00352 -0.00213 0.03762 0.11465 -0.00882 89 2S -0.02170 -0.01216 -0.03722 -0.09204 -0.00021 90 2PX 0.03254 -0.01432 0.09149 -0.00513 0.01488 91 2PY 0.07349 0.00882 -0.04079 0.04689 -0.09718 92 2PZ 0.05407 0.08230 0.06547 -0.10605 0.01340 93 3S 0.25080 0.12599 -0.62768 -2.23055 0.21054 94 3PX 0.11662 0.05139 0.31201 0.07395 0.16639 95 3PY -0.05574 0.03148 -0.28547 0.46143 -0.31938 96 3PZ 0.09319 0.16446 0.27481 -0.21920 -0.05666 97 4XX -0.00716 0.00076 -0.00269 0.00209 0.00103 98 4YY 0.00723 -0.00271 -0.00300 0.01886 -0.00931 99 4ZZ -0.00476 -0.00095 0.01230 0.00191 0.00650 100 4XY 0.00052 -0.00303 -0.01179 0.00046 0.00074 101 4XZ -0.00385 -0.00085 0.00567 -0.00039 0.00394 102 4YZ -0.00037 -0.00453 -0.01440 -0.00167 0.00249 103 13 H 1S 0.00951 -0.00344 -0.00525 0.00688 0.01237 104 2S -0.07287 -0.20797 0.31208 0.87871 0.19383 105 14 H 1S -0.02072 -0.01306 -0.03990 0.00289 0.00957 106 2S -0.26003 -0.16324 -0.16958 0.67484 0.00794 107 15 C 1S 0.00000 -0.01528 0.03925 0.00000 0.00000 108 2S 0.00000 0.02414 -0.06070 0.00000 0.00000 109 2PX 0.00000 -0.32141 0.16689 0.00000 0.00000 110 2PY -0.00271 0.00000 0.00000 -0.14840 -0.09949 111 2PZ 0.00000 0.03833 -0.04018 0.00000 0.00000 112 3S -0.00001 -0.02681 -0.49151 0.00000 0.00000 113 3PX 0.00000 -0.87053 0.49214 0.00000 0.00000 114 3PY -0.00467 0.00000 0.00000 -0.27942 -0.20322 115 3PZ 0.00000 0.03006 -0.04321 -0.00001 0.00000 116 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 117 4YY 0.00000 0.00357 0.01187 0.00000 0.00000 118 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 119 4XY 0.00082 0.00000 0.00000 -0.01056 -0.00499 120 4XZ 0.00000 -0.01428 0.00540 0.00000 0.00000 121 4YZ 0.00493 0.00000 0.00000 -0.00687 0.00108 122 16 C 1S 0.03254 -0.05606 -0.00411 0.01465 0.06492 123 2S -0.03711 0.09082 0.01993 -0.01499 -0.09273 124 2PX -0.05903 0.06274 0.05491 0.02288 -0.02879 125 2PY 0.01604 -0.12471 -0.02485 -0.03175 0.01152 126 2PZ 0.13292 0.01298 0.08417 0.07702 0.20250 127 3S -0.64245 0.90719 -0.10965 -0.25876 -1.08645 128 3PX 0.00643 0.24252 0.12469 0.14352 0.17591 129 3PY -0.04390 -0.44255 0.09534 0.02058 0.01108 130 3PZ 0.45762 0.03545 0.16420 0.30113 0.68653 131 4XX 0.00607 -0.00893 -0.00391 0.00026 0.00874 132 4YY 0.00410 0.00892 -0.00009 0.01066 0.01365 133 4ZZ -0.00078 -0.00113 0.00303 -0.00264 -0.00178 134 4XY 0.00230 0.00448 0.00853 -0.00277 0.00029 135 4XZ 0.00459 -0.01416 -0.00530 0.00129 0.00699 136 4YZ -0.00612 0.01154 0.00978 -0.00383 -0.01065 137 17 C 1S -0.03254 -0.05606 -0.00411 -0.01465 -0.06492 138 2S 0.03711 0.09082 0.01993 0.01499 0.09273 139 2PX 0.05903 0.06274 0.05491 -0.02288 0.02879 140 2PY 0.01605 0.12471 0.02485 -0.03175 0.01153 141 2PZ -0.13292 0.01299 0.08417 -0.07702 -0.20250 142 3S 0.64244 0.90719 -0.10965 0.25877 1.08645 143 3PX -0.00643 0.24252 0.12469 -0.14352 -0.17591 144 3PY -0.04389 0.44255 -0.09535 0.02059 0.01110 145 3PZ -0.45763 0.03547 0.16419 -0.30113 -0.68653 146 4XX -0.00607 -0.00893 -0.00391 -0.00026 -0.00874 147 4YY -0.00410 0.00892 -0.00009 -0.01066 -0.01365 148 4ZZ 0.00078 -0.00113 0.00303 0.00264 0.00178 149 4XY 0.00230 -0.00448 -0.00853 -0.00277 0.00029 150 4XZ -0.00459 -0.01416 -0.00531 -0.00129 -0.00699 151 4YZ -0.00612 -0.01154 -0.00978 -0.00383 -0.01065 152 18 H 1S 0.00000 0.01457 -0.03335 0.00000 0.00000 153 2S 0.00001 1.06609 -0.40328 0.00000 0.00000 154 19 H 1S -0.00141 -0.00535 0.04189 -0.00119 0.01945 155 2S 0.65975 -0.66009 0.32104 0.36208 1.14813 156 20 H 1S 0.00141 -0.00535 0.04189 0.00119 -0.01945 157 2S -0.65975 -0.66009 0.32104 -0.36208 -1.14813 158 21 H 1S 0.00000 -0.02508 -0.00109 0.00000 0.00000 159 2S 0.00000 -0.41251 0.49974 0.00000 0.00000 160 22 O 1S -0.00159 0.05755 -0.00666 -0.01644 -0.01098 161 2S -0.00091 -0.07982 0.00193 0.00468 0.00175 162 2PX -0.01520 0.12680 0.05153 0.04746 0.02944 163 2PY 0.03311 0.10929 -0.03793 -0.04562 0.01502 164 2PZ 0.05337 0.05958 0.08771 0.00971 0.07351 165 3S 0.05083 -0.76977 0.12921 0.29204 0.22676 166 3PX -0.04414 0.28569 0.07353 0.02559 -0.00315 167 3PY 0.00795 0.23065 -0.10401 -0.08179 -0.04547 168 3PZ 0.07021 0.10990 0.13187 0.04114 0.11090 169 4XX -0.00041 0.01876 0.00121 -0.01400 -0.00845 170 4YY -0.00369 0.01340 -0.00496 -0.00846 -0.00865 171 4ZZ 0.00378 0.02486 -0.00496 -0.00872 0.00014 172 4XY 0.00258 -0.00366 0.00285 0.00136 0.00432 173 4XZ 0.00418 -0.00495 0.00568 -0.00709 0.00278 174 4YZ -0.00054 -0.00850 0.00259 0.00567 0.00325 175 23 O 1S 0.00159 0.05755 -0.00666 0.01644 0.01098 176 2S 0.00091 -0.07982 0.00193 -0.00468 -0.00175 177 2PX 0.01520 0.12680 0.05153 -0.04746 -0.02944 178 2PY 0.03312 -0.10929 0.03793 -0.04562 0.01502 179 2PZ -0.05337 0.05957 0.08771 -0.00971 -0.07351 180 3S -0.05082 -0.76977 0.12921 -0.29204 -0.22676 181 3PX 0.04414 0.28569 0.07353 -0.02559 0.00315 182 3PY 0.00796 -0.23065 0.10400 -0.08179 -0.04547 183 3PZ -0.07022 0.10989 0.13188 -0.04114 -0.11090 184 4XX 0.00041 0.01876 0.00121 0.01400 0.00845 185 4YY 0.00369 0.01340 -0.00496 0.00846 0.00865 186 4ZZ -0.00378 0.02486 -0.00496 0.00872 -0.00014 187 4XY 0.00258 0.00366 -0.00285 0.00136 0.00432 188 4XZ -0.00418 -0.00495 0.00568 0.00709 -0.00278 189 4YZ -0.00053 0.00850 -0.00259 0.00567 0.00325 56 57 58 59 60 V V V V V Eigenvalues -- 0.19777 0.20300 0.22888 0.23611 0.24272 1 1 C 1S -0.03046 -0.05349 0.01361 0.01868 0.04418 2 2S 0.04316 0.08635 -0.01749 -0.04377 -0.05056 3 2PX 0.01100 0.00093 0.00263 -0.02470 -0.03683 4 2PY -0.05151 -0.10985 0.09753 -0.00660 -0.18659 5 2PZ 0.01419 0.00154 0.07719 -0.00958 -0.19017 6 3S 0.45748 0.53124 -0.24706 -0.23448 -0.78783 7 3PX 0.11776 0.07109 0.00446 -0.38213 -0.21734 8 3PY -0.24764 -0.72526 0.46853 0.09193 -0.92158 9 3PZ 0.08110 -0.08547 0.25185 -0.03435 -0.84014 10 4XX -0.00320 0.00112 0.00294 0.00542 0.00220 11 4YY -0.00205 -0.00461 -0.00279 -0.00545 -0.00023 12 4ZZ -0.00167 -0.00894 0.00262 0.00161 0.00442 13 4XY -0.00206 0.00611 0.00355 0.01081 0.00141 14 4XZ -0.00275 -0.00723 0.00845 0.01199 0.00161 15 4YZ 0.00097 0.00099 -0.00728 -0.00211 0.00509 16 2 H 1S -0.01807 -0.06789 0.00171 -0.02131 -0.00966 17 2S -0.47584 -1.09001 0.63469 0.17176 -0.74437 18 3 C 1S 0.00898 0.05859 -0.01515 0.01034 0.00707 19 2S -0.03619 -0.13601 0.05891 -0.00292 0.00098 20 2PX -0.01192 0.02093 0.00005 0.04968 0.06867 21 2PY 0.01274 0.01849 -0.02989 -0.05794 0.09804 22 2PZ 0.02813 0.07637 0.02509 -0.02012 0.09176 23 3S -0.05631 -0.42281 0.21086 -0.49174 -0.42262 24 3PX 0.04411 0.39514 -0.03036 0.03041 0.24380 25 3PY 0.08881 0.33963 -0.20728 -0.27307 0.33857 26 3PZ 0.06027 0.60410 -0.09381 -0.10214 0.42501 27 4XX 0.00059 -0.00135 0.00295 -0.00345 -0.00450 28 4YY -0.00388 0.01273 0.00463 0.00661 0.01301 29 4ZZ 0.00042 -0.00281 -0.00173 -0.00600 -0.00900 30 4XY -0.00419 -0.00326 0.00700 -0.00146 -0.00905 31 4XZ -0.00138 -0.00016 0.00314 -0.00588 -0.01242 32 4YZ -0.00224 -0.00691 0.00326 0.00123 0.00233 33 4 H 1S -0.00958 0.01867 0.01229 -0.02153 -0.03805 34 2S 0.17253 1.03846 -0.22792 -0.06086 0.72432 35 5 C 1S 0.00898 -0.05859 -0.01515 -0.01034 0.00707 36 2S -0.03619 0.13601 0.05891 0.00292 0.00098 37 2PX -0.01192 -0.02093 0.00005 -0.04968 0.06867 38 2PY -0.01274 0.01850 0.02989 -0.05794 -0.09805 39 2PZ 0.02813 -0.07637 0.02509 0.02012 0.09175 40 3S -0.05631 0.42281 0.21086 0.49174 -0.42262 41 3PX 0.04411 -0.39514 -0.03036 -0.03041 0.24380 42 3PY -0.08881 0.33965 0.20728 -0.27307 -0.33859 43 3PZ 0.06026 -0.60409 -0.09380 0.10213 0.42500 44 4XX 0.00059 0.00135 0.00295 0.00345 -0.00450 45 4YY -0.00388 -0.01273 0.00463 -0.00661 0.01301 46 4ZZ 0.00042 0.00281 -0.00173 0.00600 -0.00900 47 4XY 0.00419 -0.00326 -0.00700 -0.00146 0.00905 48 4XZ -0.00138 0.00016 0.00314 0.00588 -0.01241 49 4YZ 0.00224 -0.00691 -0.00326 0.00123 -0.00232 50 6 H 1S -0.00958 -0.01867 0.01229 0.02153 -0.03805 51 2S 0.17252 -1.03846 -0.22792 0.06086 0.72432 52 7 C 1S -0.03046 0.05349 0.01361 -0.01868 0.04418 53 2S 0.04316 -0.08635 -0.01749 0.04378 -0.05056 54 2PX 0.01100 -0.00093 0.00263 0.02470 -0.03683 55 2PY 0.05151 -0.10985 -0.09754 -0.00660 0.18660 56 2PZ 0.01419 -0.00155 0.07718 0.00958 -0.19016 57 3S 0.45748 -0.53124 -0.24706 0.23448 -0.78783 58 3PX 0.11776 -0.07109 0.00446 0.38213 -0.21734 59 3PY 0.24763 -0.72526 -0.46854 0.09193 0.92161 60 3PZ 0.08111 0.08544 0.25183 0.03436 -0.84010 61 4XX -0.00320 -0.00112 0.00294 -0.00542 0.00220 62 4YY -0.00205 0.00461 -0.00280 0.00545 -0.00023 63 4ZZ -0.00167 0.00894 0.00262 -0.00161 0.00442 64 4XY 0.00206 0.00611 -0.00355 0.01081 -0.00141 65 4XZ -0.00275 0.00724 0.00845 -0.01199 0.00161 66 4YZ -0.00097 0.00099 0.00728 -0.00211 -0.00509 67 8 H 1S -0.01807 0.06789 0.00171 0.02131 -0.00966 68 2S -0.47584 1.09001 0.63469 -0.17176 -0.74437 69 9 C 1S 0.01303 0.06054 -0.03013 -0.01377 -0.06151 70 2S -0.02079 -0.09495 0.05545 0.02944 0.05135 71 2PX -0.03120 0.01282 0.10572 0.29932 0.01857 72 2PY 0.00830 0.00091 -0.06479 -0.01533 -0.07097 73 2PZ 0.03355 -0.03290 0.07420 -0.13087 -0.09933 74 3S -0.24258 -0.66901 0.47336 0.12125 1.28495 75 3PX -0.06011 -0.05726 0.48435 1.18883 -0.08941 76 3PY 0.14211 0.13811 -0.19270 -0.13305 -0.33106 77 3PZ 0.06356 -0.24734 0.33329 -0.49766 -0.81831 78 4XX 0.00236 0.00183 -0.01521 0.00176 0.01028 79 4YY -0.00335 0.01049 0.00250 -0.00078 0.00190 80 4ZZ 0.00078 0.00519 0.00889 -0.00321 -0.02399 81 4XY 0.00133 0.00160 0.01774 -0.00760 0.00053 82 4XZ 0.00081 0.00284 -0.00776 -0.00144 -0.01388 83 4YZ 0.00610 0.00323 0.00290 0.00410 -0.01217 84 10 H 1S -0.00472 0.01118 0.03959 0.02671 0.06590 85 2S -0.02490 0.52550 -0.10400 1.20372 0.08346 86 11 H 1S -0.00007 0.02509 -0.12090 -0.03223 0.02491 87 2S 0.16818 0.45025 -1.02971 -1.22633 -0.29098 88 12 C 1S 0.01303 -0.06054 -0.03013 0.01377 -0.06151 89 2S -0.02079 0.09495 0.05545 -0.02944 0.05135 90 2PX -0.03120 -0.01282 0.10572 -0.29932 0.01857 91 2PY -0.00830 0.00091 0.06479 -0.01533 0.07097 92 2PZ 0.03355 0.03290 0.07420 0.13087 -0.09933 93 3S -0.24258 0.66902 0.47336 -0.12125 1.28495 94 3PX -0.06011 0.05726 0.48435 -1.18883 -0.08942 95 3PY -0.14211 0.13810 0.19269 -0.13307 0.33109 96 3PZ 0.06356 0.24735 0.33330 0.49765 -0.81830 97 4XX 0.00236 -0.00183 -0.01521 -0.00176 0.01028 98 4YY -0.00335 -0.01049 0.00250 0.00078 0.00190 99 4ZZ 0.00078 -0.00519 0.00889 0.00322 -0.02399 100 4XY -0.00133 0.00160 -0.01774 -0.00760 -0.00053 101 4XZ 0.00081 -0.00284 -0.00776 0.00144 -0.01388 102 4YZ -0.00610 0.00323 -0.00290 0.00410 0.01217 103 13 H 1S -0.00472 -0.01118 0.03959 -0.02671 0.06590 104 2S -0.02490 -0.52550 -0.10400 -1.20372 0.08346 105 14 H 1S -0.00007 -0.02509 -0.12090 0.03223 0.02491 106 2S 0.16818 -0.45025 -1.02971 1.22633 -0.29098 107 15 C 1S -0.13287 0.00000 0.00659 0.00000 0.01037 108 2S 0.21013 0.00000 0.02144 0.00000 -0.03317 109 2PX -0.15656 0.00000 -0.02944 0.00000 0.03801 110 2PY 0.00000 0.00207 0.00001 -0.12175 0.00000 111 2PZ -0.15356 0.00000 -0.33518 0.00000 -0.14489 112 3S 1.81184 0.00000 -0.42574 0.00000 -0.21399 113 3PX -0.64691 0.00000 0.08759 0.00000 0.07370 114 3PY 0.00001 -0.15174 0.00002 -0.09342 0.00001 115 3PZ -0.60758 0.00000 -0.96031 0.00000 -0.35294 116 4XX 0.01719 0.00000 -0.00420 0.00000 -0.00520 117 4YY -0.03106 0.00000 -0.00884 0.00000 -0.00538 118 4ZZ 0.00853 0.00000 0.02074 0.00000 0.00606 119 4XY 0.00000 0.00318 0.00000 -0.01285 0.00000 120 4XZ -0.02413 0.00000 -0.00910 0.00000 -0.00454 121 4YZ 0.00000 0.00101 0.00000 -0.00586 0.00000 122 16 C 1S 0.04178 0.03037 -0.00031 -0.00395 -0.01075 123 2S -0.08464 -0.07266 -0.02232 0.00833 0.01290 124 2PX -0.05172 -0.00311 -0.02244 0.02252 -0.00385 125 2PY 0.12664 0.03616 0.00699 -0.02660 -0.02176 126 2PZ -0.00530 0.08505 -0.00849 0.03452 -0.02703 127 3S -0.53917 -0.21766 0.07224 -0.01570 0.18148 128 3PX -0.08827 0.10867 0.04747 -0.00894 -0.02846 129 3PY 0.20051 0.38272 -0.05288 -0.08081 -0.06315 130 3PZ -0.03352 0.37430 0.00281 0.06914 -0.00096 131 4XX 0.00132 0.00559 -0.00473 -0.00671 -0.00382 132 4YY 0.00335 0.00683 0.00172 0.00170 0.00111 133 4ZZ 0.00173 -0.00097 0.00022 0.00121 0.00003 134 4XY -0.01155 0.00104 -0.00284 -0.00373 0.00425 135 4XZ -0.00065 0.00172 -0.00252 -0.00325 0.00117 136 4YZ -0.01108 -0.00490 -0.00438 -0.00103 -0.00162 137 17 C 1S 0.04178 -0.03037 -0.00031 0.00395 -0.01075 138 2S -0.08464 0.07266 -0.02232 -0.00833 0.01290 139 2PX -0.05172 0.00311 -0.02244 -0.02252 -0.00385 140 2PY -0.12664 0.03616 -0.00699 -0.02660 0.02176 141 2PZ -0.00530 -0.08505 -0.00849 -0.03452 -0.02703 142 3S -0.53917 0.21767 0.07224 0.01570 0.18148 143 3PX -0.08827 -0.10867 0.04747 0.00894 -0.02846 144 3PY -0.20050 0.38274 0.05288 -0.08080 0.06315 145 3PZ -0.03353 -0.37428 0.00281 -0.06914 -0.00095 146 4XX 0.00132 -0.00559 -0.00473 0.00671 -0.00382 147 4YY 0.00335 -0.00683 0.00172 -0.00170 0.00111 148 4ZZ 0.00173 0.00097 0.00022 -0.00121 0.00003 149 4XY 0.01155 0.00104 0.00284 -0.00373 -0.00425 150 4XZ -0.00065 -0.00172 -0.00252 0.00325 0.00117 151 4YZ 0.01108 -0.00490 0.00438 -0.00103 0.00162 152 18 H 1S 0.05445 0.00000 -0.02906 0.00000 -0.01541 153 2S -0.30248 0.00000 -0.22065 0.00000 -0.13184 154 19 H 1S -0.03843 0.01577 -0.00971 -0.00110 0.00208 155 2S 0.39787 0.72269 -0.02309 0.03229 -0.19433 156 20 H 1S -0.03843 -0.01577 -0.00971 0.00110 0.00208 157 2S 0.39787 -0.72270 -0.02309 -0.03229 -0.19433 158 21 H 1S 0.02872 0.00000 0.11739 0.00000 0.04447 159 2S -0.41063 0.00000 1.47336 0.00000 0.62683 160 22 O 1S 0.03754 -0.00430 0.01617 -0.00885 0.00527 161 2S -0.03956 -0.00495 -0.01840 0.01049 -0.01019 162 2PX -0.15564 0.01289 -0.08246 0.02231 -0.00965 163 2PY 0.22888 0.01101 0.09686 -0.05040 0.03001 164 2PZ -0.14120 0.05271 0.06622 -0.01945 0.02167 165 3S -0.57423 0.12538 -0.25921 0.10884 -0.07851 166 3PX -0.29284 0.01056 -0.10254 0.00063 -0.01005 167 3PY 0.49008 -0.05531 0.16625 -0.03401 0.03137 168 3PZ -0.27041 0.08392 0.09309 0.00126 0.04714 169 4XX 0.01433 -0.00336 0.00695 -0.01039 0.00302 170 4YY 0.01413 -0.00250 0.01073 -0.00270 0.00063 171 4ZZ 0.01612 -0.00484 -0.00058 -0.00183 -0.00040 172 4XY -0.00568 0.00008 -0.00763 0.00085 -0.00252 173 4XZ -0.01376 0.00552 -0.00621 -0.00775 -0.00281 174 4YZ -0.00570 -0.00204 -0.00121 0.00675 0.00218 175 23 O 1S 0.03754 0.00430 0.01617 0.00885 0.00527 176 2S -0.03956 0.00495 -0.01840 -0.01049 -0.01019 177 2PX -0.15564 -0.01289 -0.08246 -0.02231 -0.00965 178 2PY -0.22887 0.01101 -0.09686 -0.05040 -0.03001 179 2PZ -0.14121 -0.05271 0.06621 0.01945 0.02167 180 3S -0.57423 -0.12538 -0.25921 -0.10884 -0.07851 181 3PX -0.29284 -0.01056 -0.10254 -0.00063 -0.01005 182 3PY -0.49007 -0.05531 -0.16625 -0.03401 -0.03137 183 3PZ -0.27043 -0.08392 0.09308 -0.00126 0.04714 184 4XX 0.01433 0.00336 0.00695 0.01039 0.00302 185 4YY 0.01413 0.00250 0.01073 0.00269 0.00063 186 4ZZ 0.01612 0.00484 -0.00058 0.00183 -0.00040 187 4XY 0.00568 0.00008 0.00763 0.00085 0.00252 188 4XZ -0.01376 -0.00552 -0.00621 0.00775 -0.00281 189 4YZ 0.00570 -0.00204 0.00121 0.00675 -0.00218 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31363 0.32662 0.37013 1 1 C 1S -0.00502 0.05458 0.04993 0.01183 -0.00112 2 2S -0.01910 -0.06382 -0.05071 -0.01457 -0.03162 3 2PX -0.03121 0.03930 0.16617 0.08599 -0.01370 4 2PY -0.04681 -0.04805 -0.13033 0.02966 -0.00220 5 2PZ 0.03007 -0.15529 0.17504 -0.02967 0.00024 6 3S 0.41606 -1.37438 -1.44222 -0.20221 0.12326 7 3PX -0.26619 0.06225 1.06987 -0.07215 0.13163 8 3PY -0.13592 -0.13861 -0.85991 0.07399 0.14649 9 3PZ -0.13967 -0.67791 1.01350 -0.10932 0.14441 10 4XX -0.00287 0.00928 0.01015 -0.00493 0.00617 11 4YY 0.00719 -0.02212 -0.00263 0.00404 -0.00162 12 4ZZ -0.00575 0.01851 -0.00222 0.00470 -0.00847 13 4XY 0.01179 0.01093 -0.01300 0.00593 0.00777 14 4XZ -0.00619 0.01088 0.00236 -0.00062 0.00587 15 4YZ 0.01996 0.01501 -0.01318 -0.00466 -0.00688 16 2 H 1S 0.04858 -0.09263 -0.02683 0.01844 0.00913 17 2S -0.14694 0.07471 -0.43579 0.18359 0.11046 18 3 C 1S 0.00769 0.04918 -0.06115 -0.00227 -0.00128 19 2S -0.01974 -0.05121 0.03526 -0.00790 0.02212 20 2PX -0.06482 -0.02938 0.10791 -0.06932 0.02059 21 2PY -0.01801 -0.19977 -0.04488 0.03378 -0.03084 22 2PZ -0.15615 0.04041 0.10440 0.05971 0.00494 23 3S -0.13973 -1.39769 1.97743 -0.08222 -0.13809 24 3PX -0.35997 0.00150 0.90328 -0.13319 0.04294 25 3PY -0.17707 -1.37836 -0.73211 -0.09863 -0.22936 26 3PZ -0.57674 0.29823 0.79019 -0.00009 -0.03203 27 4XX -0.00610 -0.00237 -0.01765 0.01091 -0.00253 28 4YY 0.00104 0.02470 0.00742 -0.01043 0.00338 29 4ZZ 0.00483 -0.01758 -0.00116 -0.00623 0.00019 30 4XY 0.00241 -0.00353 0.02269 0.00382 0.00019 31 4XZ -0.00234 -0.01440 -0.01145 -0.00795 0.00113 32 4YZ 0.00641 0.00071 0.02428 -0.00019 -0.00158 33 4 H 1S -0.00070 -0.06447 0.08431 -0.04222 0.00085 34 2S -0.70174 -0.13193 0.19510 -0.06215 -0.05947 35 5 C 1S -0.00769 -0.04918 -0.06115 0.00227 0.00128 36 2S 0.01974 0.05121 0.03526 0.00790 -0.02212 37 2PX 0.06482 0.02938 0.10791 0.06932 -0.02059 38 2PY -0.01802 -0.19977 0.04488 0.03378 -0.03084 39 2PZ 0.15614 -0.04041 0.10440 -0.05971 -0.00494 40 3S 0.13973 1.39769 1.97743 0.08222 0.13809 41 3PX 0.35997 -0.00150 0.90328 0.13319 -0.04294 42 3PY -0.17710 -1.37834 0.73208 -0.09863 -0.22936 43 3PZ 0.57673 -0.29828 0.79022 0.00009 0.03202 44 4XX 0.00610 0.00237 -0.01765 -0.01091 0.00253 45 4YY -0.00104 -0.02470 0.00742 0.01043 -0.00338 46 4ZZ -0.00482 0.01758 -0.00116 0.00623 -0.00019 47 4XY 0.00241 -0.00353 -0.02269 0.00382 0.00019 48 4XZ 0.00234 0.01440 -0.01145 0.00795 -0.00113 49 4YZ 0.00641 0.00071 -0.02428 -0.00019 -0.00158 50 6 H 1S 0.00070 0.06447 0.08431 0.04222 -0.00085 51 2S 0.70174 0.13193 0.19510 0.06215 0.05947 52 7 C 1S 0.00502 -0.05458 0.04993 -0.01183 0.00112 53 2S 0.01910 0.06382 -0.05071 0.01457 0.03162 54 2PX 0.03121 -0.03930 0.16617 -0.08599 0.01370 55 2PY -0.04681 -0.04806 0.13032 0.02966 -0.00220 56 2PZ -0.03007 0.15529 0.17504 0.02967 -0.00024 57 3S -0.41606 1.37438 -1.44223 0.20221 -0.12326 58 3PX 0.26619 -0.06225 1.06988 0.07215 -0.13162 59 3PY -0.13592 -0.13864 0.85987 0.07398 0.14650 60 3PZ 0.13966 0.67791 1.01353 0.10932 -0.14441 61 4XX 0.00287 -0.00928 0.01015 0.00493 -0.00617 62 4YY -0.00719 0.02212 -0.00263 -0.00404 0.00162 63 4ZZ 0.00575 -0.01851 -0.00222 -0.00470 0.00847 64 4XY 0.01179 0.01093 0.01300 0.00593 0.00777 65 4XZ 0.00619 -0.01088 0.00236 0.00062 -0.00587 66 4YZ 0.01996 0.01501 0.01318 -0.00466 -0.00688 67 8 H 1S -0.04858 0.09263 -0.02683 -0.01844 -0.00913 68 2S 0.14694 -0.07472 -0.43579 -0.18359 -0.11046 69 9 C 1S -0.04247 -0.02516 0.01175 -0.00099 0.00753 70 2S 0.04861 0.02439 -0.00762 0.00883 0.00490 71 2PX -0.03238 -0.14627 0.02917 0.00402 -0.00999 72 2PY 0.32591 -0.14212 0.07102 -0.06989 -0.01891 73 2PZ -0.12549 -0.20180 0.02883 -0.00685 0.05846 74 3S 0.69553 0.42732 -0.49268 0.01370 -0.20470 75 3PX -0.14533 -0.58980 -0.15245 0.00259 -0.00974 76 3PY 1.37292 -0.47700 0.29474 -0.28804 -0.14401 77 3PZ -0.45314 -0.90095 0.04835 -0.03164 0.24742 78 4XX 0.01494 -0.00164 -0.00573 -0.00479 0.00054 79 4YY -0.02628 0.00810 0.01240 0.00498 0.00126 80 4ZZ 0.00596 -0.01032 -0.00591 0.00218 0.00275 81 4XY 0.00264 0.00240 -0.00662 0.00051 0.00136 82 4XZ 0.00093 -0.01344 -0.00627 -0.00208 -0.01220 83 4YZ 0.00508 0.00512 0.02348 -0.00169 -0.00198 84 10 H 1S 0.03645 0.01799 -0.04194 -0.00550 0.02145 85 2S 0.53284 -0.09843 0.07689 -0.09632 -0.19821 86 11 H 1S 0.05918 -0.00898 -0.03395 -0.01518 -0.03026 87 2S 0.65899 0.47089 0.15168 -0.11689 -0.11295 88 12 C 1S 0.04247 0.02516 0.01175 0.00099 -0.00753 89 2S -0.04861 -0.02439 -0.00762 -0.00883 -0.00490 90 2PX 0.03238 0.14627 0.02917 -0.00402 0.00999 91 2PY 0.32591 -0.14213 -0.07102 -0.06989 -0.01891 92 2PZ 0.12550 0.20179 0.02883 0.00685 -0.05847 93 3S -0.69553 -0.42732 -0.49268 -0.01370 0.20470 94 3PX 0.14533 0.58979 -0.15245 -0.00259 0.00974 95 3PY 1.37290 -0.47704 -0.29474 -0.28805 -0.14400 96 3PZ 0.45319 0.90093 0.04833 0.03163 -0.24742 97 4XX -0.01494 0.00164 -0.00573 0.00479 -0.00054 98 4YY 0.02628 -0.00810 0.01240 -0.00498 -0.00126 99 4ZZ -0.00596 0.01032 -0.00591 -0.00218 -0.00275 100 4XY 0.00264 0.00240 0.00662 0.00051 0.00136 101 4XZ -0.00093 0.01344 -0.00627 0.00208 0.01220 102 4YZ 0.00509 0.00512 -0.02348 -0.00169 -0.00198 103 13 H 1S -0.03645 -0.01799 -0.04194 0.00550 -0.02145 104 2S -0.53284 0.09843 0.07689 0.09632 0.19821 105 14 H 1S -0.05918 0.00898 -0.03395 0.01518 0.03026 106 2S -0.65899 -0.47089 0.15168 0.11689 0.11295 107 15 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 108 2S 0.00000 0.00000 -0.02252 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00888 0.00000 0.00000 110 2PY 0.09125 0.07179 0.00000 -0.03526 0.31611 111 2PZ 0.00000 0.00000 0.02874 0.00000 0.00001 112 3S 0.00000 0.00000 -0.05185 0.00000 0.00000 113 3PX 0.00000 0.00000 0.03585 0.00000 0.00000 114 3PY -0.07852 0.09355 0.00000 -0.95929 -0.10081 115 3PZ 0.00000 0.00000 0.05967 -0.00002 0.00000 116 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 119 4XY 0.00726 0.00631 0.00000 -0.00644 0.01097 120 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 121 4YZ 0.00156 0.00332 0.00000 -0.00987 0.01510 122 16 C 1S -0.00707 -0.00782 -0.00108 -0.02272 -0.11316 123 2S -0.00513 0.00678 -0.00359 -0.00747 0.12507 124 2PX -0.02774 0.03855 -0.00297 -0.12827 0.15943 125 2PY 0.04318 -0.00895 0.00520 0.24083 0.14950 126 2PZ 0.00627 -0.05664 0.01930 -0.08469 0.22708 127 3S 0.28474 0.09040 -0.02080 1.25384 2.60207 128 3PX -0.05063 0.02082 -0.03795 -0.70811 1.07755 129 3PY 0.29442 -0.17659 0.02074 1.79274 1.77016 130 3PZ 0.02143 -0.08866 -0.02233 -0.29493 0.98288 131 4XX 0.00157 0.00080 -0.00318 0.00393 0.00537 132 4YY -0.00600 -0.00273 0.00030 -0.02512 -0.02342 133 4ZZ 0.00244 -0.00104 0.00005 0.00402 0.01367 134 4XY 0.00176 0.00144 0.00388 0.00482 0.00227 135 4XZ 0.00086 -0.00204 0.00058 0.01351 -0.01115 136 4YZ 0.00090 0.00266 -0.00372 -0.00093 -0.00423 137 17 C 1S 0.00707 0.00782 -0.00108 0.02272 0.11316 138 2S 0.00513 -0.00678 -0.00359 0.00747 -0.12507 139 2PX 0.02774 -0.03855 -0.00297 0.12827 -0.15943 140 2PY 0.04318 -0.00895 -0.00520 0.24083 0.14951 141 2PZ -0.00627 0.05664 0.01930 0.08470 -0.22707 142 3S -0.28474 -0.09040 -0.02080 -1.25384 -2.60207 143 3PX 0.05063 -0.02082 -0.03795 0.70811 -1.07755 144 3PY 0.29442 -0.17659 -0.02074 1.79273 1.77020 145 3PZ -0.02142 0.08865 -0.02233 0.29499 -0.98281 146 4XX -0.00157 -0.00080 -0.00318 -0.00393 -0.00537 147 4YY 0.00600 0.00273 0.00030 0.02512 0.02342 148 4ZZ -0.00244 0.00104 0.00005 -0.00402 -0.01367 149 4XY 0.00176 0.00144 -0.00388 0.00482 0.00227 150 4XZ -0.00086 0.00204 0.00058 -0.01351 0.01115 151 4YZ 0.00090 0.00266 0.00372 -0.00093 -0.00423 152 18 H 1S 0.00000 0.00000 -0.01419 0.00000 0.00000 153 2S 0.00000 0.00000 0.04273 0.00000 0.00000 154 19 H 1S 0.00774 -0.01323 -0.01278 0.02444 -0.06638 155 2S 0.09422 -0.28186 0.02670 0.34192 0.96147 156 20 H 1S -0.00774 0.01323 -0.01278 -0.02444 0.06638 157 2S -0.09422 0.28186 0.02669 -0.34192 -0.96147 158 21 H 1S 0.00000 0.00000 0.00723 0.00000 0.00000 159 2S 0.00000 0.00000 -0.06127 0.00000 0.00000 160 22 O 1S 0.00214 -0.00067 -0.00131 0.01840 -0.04211 161 2S -0.00236 0.01328 -0.02280 -0.05335 0.03818 162 2PX -0.01728 -0.03930 0.03685 0.18590 -0.17936 163 2PY 0.00799 0.02597 -0.03326 -0.08117 -0.01775 164 2PZ 0.03256 -0.00828 -0.01284 0.15781 -0.16682 165 3S -0.00740 -0.01948 0.09574 -0.17069 0.92177 166 3PX 0.01097 -0.04493 0.00254 0.44733 -0.39734 167 3PY -0.01788 0.03111 -0.03094 -0.21311 -0.29189 168 3PZ 0.04118 -0.04893 -0.00676 0.41045 -0.27634 169 4XX 0.00244 0.00765 -0.00359 -0.00468 -0.02430 170 4YY 0.00397 0.00386 -0.00885 0.00902 0.00078 171 4ZZ -0.00187 -0.00047 -0.01008 -0.00491 -0.01833 172 4XY -0.00587 0.00003 -0.00149 -0.02044 -0.02167 173 4XZ 0.00771 0.00505 -0.00142 -0.00122 0.01204 174 4YZ -0.00537 -0.00457 0.00267 -0.01789 -0.01720 175 23 O 1S -0.00214 0.00067 -0.00131 -0.01840 0.04211 176 2S 0.00236 -0.01328 -0.02280 0.05335 -0.03818 177 2PX 0.01728 0.03930 0.03685 -0.18590 0.17936 178 2PY 0.00799 0.02597 0.03326 -0.08117 -0.01776 179 2PZ -0.03256 0.00828 -0.01284 -0.15781 0.16682 180 3S 0.00740 0.01948 0.09574 0.17069 -0.92177 181 3PX -0.01097 0.04493 0.00254 -0.44733 0.39734 182 3PY -0.01787 0.03111 0.03094 -0.21310 -0.29190 183 3PZ -0.04118 0.04893 -0.00676 -0.41046 0.27633 184 4XX -0.00244 -0.00765 -0.00359 0.00468 0.02430 185 4YY -0.00397 -0.00386 -0.00885 -0.00902 -0.00077 186 4ZZ 0.00187 0.00047 -0.01008 0.00491 0.01832 187 4XY -0.00587 0.00003 0.00149 -0.02044 -0.02167 188 4XZ -0.00771 -0.00505 -0.00142 0.00122 -0.01204 189 4YZ -0.00537 -0.00457 -0.00267 -0.01789 -0.01720 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50830 1 1 C 1S 0.08006 0.00722 -0.04116 -0.00014 -0.00066 2 2S -0.05679 -0.09493 -0.01175 0.02361 -0.13254 3 2PX -0.11023 -0.04990 -0.05357 -0.24898 0.09737 4 2PY -0.12926 -0.06155 0.05972 -0.00807 -0.00596 5 2PZ -0.14488 -0.02280 -0.19038 -0.19371 0.07367 6 3S -2.35127 0.00823 2.13750 0.14983 -0.00473 7 3PX 0.28429 0.03966 -1.64568 0.47752 -0.05963 8 3PY -1.87569 0.04098 0.91920 -0.00710 -0.10323 9 3PZ -0.57166 0.19467 -1.79572 0.34749 -0.17709 10 4XX 0.00039 -0.00235 -0.02196 0.01143 -0.00869 11 4YY 0.00201 0.01230 0.00825 -0.00914 -0.00644 12 4ZZ -0.00843 -0.02264 0.01412 -0.01043 -0.00570 13 4XY -0.01699 0.01243 0.00694 -0.02815 0.01018 14 4XZ -0.01030 -0.00885 -0.01369 0.01366 -0.02765 15 4YZ -0.00523 -0.01337 0.01282 -0.02802 0.00001 16 2 H 1S 0.08373 0.07551 0.03348 -0.01005 -0.02086 17 2S -0.74069 0.00038 0.21711 -0.02504 -0.07773 18 3 C 1S -0.09297 -0.00201 0.03357 -0.00378 -0.00424 19 2S 0.03027 -0.05807 -0.01630 0.06496 -0.33227 20 2PX 0.04080 -0.09831 -0.16368 0.12707 -0.08379 21 2PY 0.15075 -0.04980 0.22077 -0.24790 -0.03594 22 2PZ 0.11608 0.12614 -0.11092 0.13662 -0.06440 23 3S 3.56246 0.19088 -1.45066 -0.00098 0.36895 24 3PX 1.02295 0.08342 -1.81194 -0.14165 0.06500 25 3PY 2.25615 -0.03305 1.70946 0.36906 0.01925 26 3PZ 1.26271 -0.11800 -1.45112 -0.15619 0.07953 27 4XX 0.00255 0.00697 0.01396 0.01030 -0.00993 28 4YY -0.00686 -0.00883 -0.02035 -0.02338 -0.04662 29 4ZZ 0.00742 -0.00205 -0.00210 0.01747 -0.01514 30 4XY -0.00892 0.00697 0.00316 -0.01909 0.00376 31 4XZ 0.00498 -0.00169 0.00251 0.01944 -0.03192 32 4YZ -0.00824 0.00592 0.00461 -0.01976 0.00081 33 4 H 1S -0.04078 0.00360 0.03607 -0.01154 -0.07765 34 2S 1.03640 -0.07838 -0.42445 0.04205 -0.04264 35 5 C 1S 0.09297 -0.00201 -0.03357 -0.00378 -0.00424 36 2S -0.03027 -0.05807 0.01630 0.06496 -0.33227 37 2PX -0.04080 -0.09831 0.16368 0.12707 -0.08379 38 2PY 0.15076 0.04980 0.22076 0.24789 0.03594 39 2PZ -0.11607 0.12614 0.11093 0.13663 -0.06440 40 3S -3.56246 0.19089 1.45066 -0.00098 0.36895 41 3PX -1.02295 0.08344 1.81194 -0.14165 0.06500 42 3PY 2.25620 0.03307 1.70940 -0.36906 -0.01925 43 3PZ -1.26262 -0.11799 1.45118 -0.15620 0.07953 44 4XX -0.00255 0.00697 -0.01396 0.01030 -0.00993 45 4YY 0.00686 -0.00882 0.02035 -0.02338 -0.04662 46 4ZZ -0.00742 -0.00205 0.00210 0.01747 -0.01514 47 4XY -0.00892 -0.00696 0.00316 0.01909 -0.00376 48 4XZ -0.00498 -0.00169 -0.00251 0.01944 -0.03192 49 4YZ -0.00824 -0.00592 0.00461 0.01975 -0.00081 50 6 H 1S 0.04078 0.00360 -0.03607 -0.01154 -0.07765 51 2S -1.03640 -0.07838 0.42445 0.04205 -0.04264 52 7 C 1S -0.08006 0.00722 0.04116 -0.00014 -0.00066 53 2S 0.05679 -0.09493 0.01175 0.02361 -0.13254 54 2PX 0.11023 -0.04990 0.05357 -0.24898 0.09737 55 2PY -0.12926 0.06155 0.05971 0.00808 0.00595 56 2PZ 0.14488 -0.02280 0.19038 -0.19371 0.07367 57 3S 2.35127 0.00822 -2.13750 0.14983 -0.00473 58 3PX -0.28429 0.03968 1.64568 0.47752 -0.05962 59 3PY -1.87571 -0.04098 0.91913 0.00709 0.10323 60 3PZ 0.57159 0.19468 1.79575 0.34749 -0.17709 61 4XX -0.00039 -0.00235 0.02196 0.01143 -0.00869 62 4YY -0.00201 0.01230 -0.00825 -0.00915 -0.00644 63 4ZZ 0.00843 -0.02264 -0.01412 -0.01042 -0.00570 64 4XY -0.01699 -0.01243 0.00694 0.02815 -0.01018 65 4XZ 0.01030 -0.00885 0.01369 0.01366 -0.02765 66 4YZ -0.00523 0.01337 0.01282 0.02802 -0.00001 67 8 H 1S -0.08373 0.07551 -0.03348 -0.01005 -0.02086 68 2S 0.74068 0.00038 -0.21711 -0.02504 -0.07773 69 9 C 1S -0.05781 -0.00519 0.00860 0.00041 0.00109 70 2S -0.02158 -0.06907 -0.00009 0.06024 0.00094 71 2PX 0.01439 -0.16205 -0.01035 0.07792 0.21391 72 2PY -0.02797 -0.05305 -0.18916 0.29529 0.02150 73 2PZ -0.08587 0.16455 -0.15363 0.04035 -0.00802 74 3S 1.82654 0.05271 -0.03545 -0.21165 0.08723 75 3PX -0.50898 0.23945 0.06436 -0.13889 -0.28036 76 3PY 0.40609 0.05056 -1.14336 -0.30661 -0.05959 77 3PZ -1.62430 -0.14298 -0.40060 -0.03672 -0.01694 78 4XX 0.01907 -0.00219 0.00425 -0.01283 0.00774 79 4YY 0.00215 -0.01654 0.00721 0.06121 0.00628 80 4ZZ -0.02746 -0.00827 -0.01039 -0.03538 -0.00314 81 4XY -0.00208 0.02135 0.00247 -0.01223 -0.02780 82 4XZ -0.01029 -0.02765 0.02007 -0.00821 0.04329 83 4YZ 0.00175 -0.01509 -0.00794 -0.01222 0.00195 84 10 H 1S 0.05923 0.13984 -0.06617 -0.02977 -0.17007 85 2S 0.28289 -0.06699 0.03726 0.04889 0.06074 86 11 H 1S 0.05309 -0.08391 0.07743 -0.02363 0.14629 87 2S 0.17286 -0.08893 -0.11364 0.07984 0.02159 88 12 C 1S 0.05781 -0.00519 -0.00860 0.00041 0.00109 89 2S 0.02158 -0.06907 0.00009 0.06024 0.00094 90 2PX -0.01439 -0.16205 0.01035 0.07792 0.21391 91 2PY -0.02797 0.05304 -0.18917 -0.29529 -0.02150 92 2PZ 0.08587 0.16455 0.15362 0.04034 -0.00802 93 3S -1.82654 0.05271 0.03545 -0.21165 0.08723 94 3PX 0.50898 0.23945 -0.06437 -0.13889 -0.28036 95 3PY 0.40603 -0.05057 -1.14337 0.30661 0.05959 96 3PZ 1.62432 -0.14298 0.40056 -0.03670 -0.01694 97 4XX -0.01907 -0.00219 -0.00425 -0.01283 0.00774 98 4YY -0.00215 -0.01655 -0.00721 0.06121 0.00628 99 4ZZ 0.02746 -0.00827 0.01039 -0.03537 -0.00314 100 4XY -0.00208 -0.02135 0.00247 0.01223 0.02780 101 4XZ 0.01029 -0.02765 -0.02007 -0.00821 0.04329 102 4YZ 0.00175 0.01509 -0.00795 0.01222 -0.00195 103 13 H 1S -0.05923 0.13984 0.06617 -0.02977 -0.17007 104 2S -0.28289 -0.06699 -0.03726 0.04889 0.06074 105 14 H 1S -0.05309 -0.08391 -0.07743 -0.02363 0.14629 106 2S -0.17286 -0.08893 0.11364 0.07984 0.02159 107 15 C 1S 0.00000 0.01004 0.00000 0.00756 -0.01609 108 2S 0.00000 -0.36575 0.00000 -0.00673 0.09793 109 2PX 0.00000 0.37671 0.00000 -0.13864 -0.29035 110 2PY 0.10843 -0.00001 0.00495 0.00000 0.00000 111 2PZ 0.00000 0.31870 0.00000 0.05627 0.03597 112 3S 0.00000 0.91964 0.00000 -0.07167 -0.12244 113 3PX 0.00000 -0.79804 0.00000 0.39768 0.43635 114 3PY -0.12639 0.00001 0.10561 0.00000 0.00001 115 3PZ 0.00000 -0.71020 0.00001 -0.12293 -0.34443 116 4XX 0.00000 -0.01088 0.00000 -0.02611 -0.03732 117 4YY 0.00000 0.03632 0.00000 0.00514 0.00493 118 4ZZ 0.00000 -0.01435 0.00000 0.02865 0.01858 119 4XY 0.00484 0.00000 -0.00375 0.00000 0.00000 120 4XZ 0.00000 -0.01529 0.00000 0.01364 -0.00822 121 4YZ 0.00822 0.00000 -0.00877 0.00000 0.00000 122 16 C 1S -0.00851 -0.00398 -0.00859 0.00102 -0.02782 123 2S 0.00020 -0.21680 0.06365 -0.08097 -0.01551 124 2PX 0.01228 0.05395 0.10261 -0.19445 0.16422 125 2PY 0.01548 -0.31632 -0.06959 0.02027 -0.20526 126 2PZ -0.02133 0.10351 0.11323 0.10946 0.29645 127 3S 0.24230 0.06161 -0.06708 0.02899 0.07285 128 3PX -0.06028 -0.04799 0.10796 0.22596 -0.16291 129 3PY 0.09739 0.42494 -0.15072 0.02392 0.19059 130 3PZ 0.03027 -0.22594 0.09966 -0.13176 -0.32422 131 4XX 0.00106 0.00757 0.00261 -0.00457 0.00939 132 4YY -0.00314 -0.07466 0.00906 -0.00698 -0.01799 133 4ZZ 0.00220 0.02591 -0.00882 -0.00177 -0.03214 134 4XY 0.00293 -0.00272 -0.00245 -0.01435 0.02750 135 4XZ 0.00122 -0.02770 -0.00470 -0.00534 -0.02621 136 4YZ 0.00143 -0.00264 0.00129 -0.02036 -0.00775 137 17 C 1S 0.00851 -0.00398 0.00859 0.00102 -0.02782 138 2S -0.00020 -0.21680 -0.06365 -0.08097 -0.01551 139 2PX -0.01228 0.05395 -0.10261 -0.19445 0.16422 140 2PY 0.01548 0.31631 -0.06959 -0.02028 0.20524 141 2PZ 0.02134 0.10352 -0.11324 0.10946 0.29645 142 3S -0.24230 0.06161 0.06708 0.02898 0.07285 143 3PX 0.06028 -0.04799 -0.10796 0.22596 -0.16291 144 3PY 0.09739 -0.42494 -0.15071 -0.02391 -0.19058 145 3PZ -0.03027 -0.22596 -0.09967 -0.13177 -0.32423 146 4XX -0.00106 0.00757 -0.00261 -0.00457 0.00939 147 4YY 0.00313 -0.07466 -0.00906 -0.00698 -0.01799 148 4ZZ -0.00220 0.02591 0.00882 -0.00177 -0.03214 149 4XY 0.00293 0.00272 -0.00245 0.01435 -0.02750 150 4XZ -0.00122 -0.02770 0.00470 -0.00534 -0.02621 151 4YZ 0.00143 0.00264 0.00129 0.02036 0.00775 152 18 H 1S 0.00000 0.05634 0.00000 -0.11197 -0.15010 153 2S 0.00000 0.05052 0.00000 -0.09423 -0.07488 154 19 H 1S -0.00191 -0.07820 -0.02194 -0.08484 -0.19783 155 2S -0.07238 -0.02443 0.03000 0.08761 -0.04188 156 20 H 1S 0.00191 -0.07819 0.02194 -0.08484 -0.19783 157 2S 0.07238 -0.02443 -0.03000 0.08761 -0.04188 158 21 H 1S 0.00000 0.03702 0.00000 0.07919 0.08964 159 2S 0.00000 0.00407 0.00000 0.07708 0.24458 160 22 O 1S -0.00186 0.01080 -0.00849 -0.00174 0.01452 161 2S 0.02440 0.05184 -0.01340 -0.03067 -0.13482 162 2PX -0.04319 0.06607 -0.01177 -0.02348 -0.00452 163 2PY 0.02800 -0.08564 -0.04252 -0.07266 0.11357 164 2PZ 0.01783 0.04853 -0.07972 0.00509 0.13820 165 3S 0.02136 -0.49419 0.13230 0.07026 0.26418 166 3PX 0.00347 -0.04423 -0.11388 -0.07298 -0.06763 167 3PY -0.01733 0.33907 0.01452 0.01388 -0.01205 168 3PZ 0.00914 -0.00440 -0.06746 0.07318 0.03809 169 4XX 0.00512 0.05358 -0.01305 -0.00815 -0.01021 170 4YY 0.01150 -0.05525 -0.01115 -0.01384 -0.02059 171 4ZZ 0.00653 0.04799 -0.01701 -0.02074 -0.02284 172 4XY -0.00422 0.02184 -0.00796 -0.01260 0.00404 173 4XZ 0.00977 -0.01921 -0.01774 -0.01579 0.03916 174 4YZ -0.00900 0.02334 0.00248 -0.00084 0.00754 175 23 O 1S 0.00186 0.01080 0.00849 -0.00174 0.01452 176 2S -0.02440 0.05184 0.01339 -0.03067 -0.13482 177 2PX 0.04319 0.06607 0.01177 -0.02348 -0.00452 178 2PY 0.02800 0.08564 -0.04252 0.07266 -0.11357 179 2PZ -0.01783 0.04853 0.07972 0.00509 0.13820 180 3S -0.02136 -0.49419 -0.13229 0.07026 0.26418 181 3PX -0.00347 -0.04423 0.11388 -0.07298 -0.06762 182 3PY -0.01733 -0.33907 0.01452 -0.01388 0.01205 183 3PZ -0.00914 -0.00442 0.06746 0.07318 0.03809 184 4XX -0.00512 0.05358 0.01305 -0.00815 -0.01021 185 4YY -0.01150 -0.05525 0.01115 -0.01384 -0.02059 186 4ZZ -0.00653 0.04799 0.01701 -0.02074 -0.02284 187 4XY -0.00422 -0.02184 -0.00796 0.01260 -0.00404 188 4XZ -0.00977 -0.01921 0.01774 -0.01579 0.03916 189 4YZ -0.00900 -0.02334 0.00248 0.00084 -0.00754 71 72 73 74 75 V V V V V Eigenvalues -- 0.52316 0.54653 0.54787 0.54867 0.56891 1 1 C 1S 0.00900 0.00573 -0.00059 0.00295 -0.01425 2 2S -0.00222 -0.04220 -0.05167 -0.00451 0.08408 3 2PX 0.10644 -0.08837 -0.06910 -0.10157 -0.31257 4 2PY 0.03799 -0.07514 -0.15444 -0.08880 -0.03790 5 2PZ -0.12384 -0.08030 -0.04275 0.04520 -0.10966 6 3S -0.34157 0.12849 0.16744 0.27600 1.12945 7 3PX -0.14056 0.16517 0.18601 0.04849 0.10004 8 3PY -0.32860 0.13195 0.27380 0.41120 0.75572 9 3PZ 0.35716 -0.01521 0.02024 -0.03814 -0.21562 10 4XX 0.01346 -0.00386 -0.02919 0.00063 -0.00196 11 4YY 0.01941 0.00485 0.05566 -0.00786 0.01824 12 4ZZ -0.02599 -0.00239 -0.03662 0.01730 0.00645 13 4XY -0.00179 0.00195 -0.00007 0.01283 -0.00478 14 4XZ -0.01481 0.00896 -0.00274 0.02603 0.04072 15 4YZ -0.03558 0.01209 0.01249 0.01925 0.02385 16 2 H 1S 0.04054 0.05754 0.26301 -0.01772 0.11271 17 2S -0.13430 0.00640 -0.08709 0.20366 0.24333 18 3 C 1S -0.00606 -0.00087 0.00970 -0.00162 0.04594 19 2S -0.17991 0.02064 0.09715 0.18999 0.09134 20 2PX 0.01262 -0.01977 0.01763 -0.19935 -0.01974 21 2PY -0.18846 -0.05074 -0.00119 0.09630 -0.23842 22 2PZ 0.04497 0.03793 -0.16548 0.26822 0.07352 23 3S 0.37945 0.05698 -0.15468 -0.27867 -0.97573 24 3PX 0.09677 0.01579 -0.00233 0.05830 -0.66281 25 3PY 0.22957 0.14576 -0.03780 -0.19678 0.32656 26 3PZ -0.04088 0.00552 0.14510 -0.27128 -0.61404 27 4XX 0.01531 -0.00515 -0.00696 0.00157 -0.01362 28 4YY -0.04916 0.01491 0.01352 0.04496 0.06037 29 4ZZ 0.00329 -0.00251 0.02890 -0.01507 0.00266 30 4XY 0.00936 -0.00418 0.03011 -0.01831 -0.00515 31 4XZ -0.00370 0.00465 0.04123 -0.00959 0.03635 32 4YZ 0.00032 -0.00401 0.03193 0.00176 -0.00601 33 4 H 1S -0.01074 0.01985 0.26219 -0.05718 0.16823 34 2S -0.04800 0.06549 -0.11991 0.01411 -0.20197 35 5 C 1S -0.00606 0.00087 0.00970 -0.00162 -0.04594 36 2S -0.17991 -0.02064 0.09715 0.18999 -0.09134 37 2PX 0.01262 0.01977 0.01763 -0.19935 0.01975 38 2PY 0.18846 -0.05074 0.00120 -0.09631 -0.23842 39 2PZ 0.04498 -0.03793 -0.16548 0.26822 -0.07353 40 3S 0.37945 -0.05698 -0.15468 -0.27867 0.97573 41 3PX 0.09677 -0.01579 -0.00234 0.05830 0.66281 42 3PY -0.22957 0.14576 0.03779 0.19679 0.32653 43 3PZ -0.04089 -0.00552 0.14510 -0.27127 0.61406 44 4XX 0.01531 0.00515 -0.00696 0.00157 0.01362 45 4YY -0.04916 -0.01491 0.01352 0.04496 -0.06037 46 4ZZ 0.00329 0.00251 0.02889 -0.01507 -0.00266 47 4XY -0.00936 -0.00417 -0.03011 0.01831 -0.00515 48 4XZ -0.00370 -0.00465 0.04122 -0.00959 -0.03635 49 4YZ -0.00032 -0.00401 -0.03194 -0.00176 -0.00602 50 6 H 1S -0.01074 -0.01985 0.26219 -0.05718 -0.16823 51 2S -0.04800 -0.06549 -0.11991 0.01411 0.20197 52 7 C 1S 0.00900 -0.00573 -0.00059 0.00295 0.01425 53 2S -0.00222 0.04220 -0.05167 -0.00451 -0.08408 54 2PX 0.10644 0.08836 -0.06910 -0.10157 0.31257 55 2PY -0.03799 -0.07514 0.15445 0.08879 -0.03790 56 2PZ -0.12385 0.08029 -0.04275 0.04520 0.10966 57 3S -0.34157 -0.12849 0.16744 0.27600 -1.12945 58 3PX -0.14056 -0.16517 0.18601 0.04849 -0.10004 59 3PY 0.32859 0.13194 -0.27380 -0.41120 0.75571 60 3PZ 0.35717 0.01521 0.02022 -0.03815 0.21565 61 4XX 0.01346 0.00386 -0.02919 0.00063 0.00196 62 4YY 0.01941 -0.00485 0.05566 -0.00786 -0.01824 63 4ZZ -0.02599 0.00239 -0.03662 0.01730 -0.00645 64 4XY 0.00179 0.00195 0.00007 -0.01283 -0.00478 65 4XZ -0.01481 -0.00896 -0.00274 0.02603 -0.04072 66 4YZ 0.03558 0.01209 -0.01249 -0.01925 0.02385 67 8 H 1S 0.04054 -0.05754 0.26301 -0.01772 -0.11271 68 2S -0.13430 -0.00640 -0.08709 0.20366 -0.24333 69 9 C 1S 0.00316 -0.00388 0.00068 0.00096 -0.00265 70 2S -0.11648 0.04277 -0.06186 0.09981 0.11667 71 2PX 0.01445 -0.10523 0.06428 -0.23210 -0.04357 72 2PY 0.07439 0.07390 -0.19291 0.06805 -0.05801 73 2PZ 0.27277 -0.11205 0.09825 -0.27091 -0.16941 74 3S 0.15267 -0.28498 -0.17602 -0.21721 -0.56041 75 3PX 0.00047 -0.04622 -0.11771 0.26119 0.31136 76 3PY -0.04454 -0.15977 0.25147 -0.12018 -0.31018 77 3PZ -0.32960 0.08424 -0.05938 0.35103 0.42709 78 4XX 0.00287 0.00994 0.02643 -0.03048 -0.00338 79 4YY -0.00476 -0.00935 -0.04676 0.02871 0.00367 80 4ZZ -0.01540 -0.00898 -0.00718 0.01714 -0.00004 81 4XY 0.00627 -0.00236 -0.02245 0.01529 0.00001 82 4XZ -0.02149 -0.00649 0.00206 -0.01423 -0.01262 83 4YZ -0.00579 -0.00419 -0.03314 -0.01480 -0.00833 84 10 H 1S 0.06271 0.00692 0.06192 0.05795 0.06038 85 2S -0.05191 -0.04576 -0.01776 -0.02803 0.01689 86 11 H 1S -0.00184 0.01441 0.15749 -0.13232 -0.08359 87 2S -0.01814 0.15945 0.00892 0.10856 -0.22198 88 12 C 1S 0.00316 0.00388 0.00068 0.00096 0.00265 89 2S -0.11648 -0.04277 -0.06186 0.09981 -0.11667 90 2PX 0.01445 0.10522 0.06428 -0.23210 0.04357 91 2PY -0.07440 0.07390 0.19290 -0.06804 -0.05801 92 2PZ 0.27277 0.11205 0.09826 -0.27091 0.16941 93 3S 0.15267 0.28498 -0.17602 -0.21721 0.56040 94 3PX 0.00047 0.04622 -0.11771 0.26119 -0.31136 95 3PY 0.04455 -0.15976 -0.25146 0.12017 -0.31016 96 3PZ -0.32959 -0.08424 -0.05939 0.35103 -0.42710 97 4XX 0.00287 -0.00994 0.02643 -0.03048 0.00338 98 4YY -0.00477 0.00935 -0.04676 0.02871 -0.00367 99 4ZZ -0.01540 0.00898 -0.00717 0.01714 0.00004 100 4XY -0.00627 -0.00236 0.02245 -0.01529 0.00001 101 4XZ -0.02149 0.00649 0.00206 -0.01423 0.01262 102 4YZ 0.00579 -0.00419 0.03314 0.01480 -0.00833 103 13 H 1S 0.06271 -0.00692 0.06192 0.05795 -0.06038 104 2S -0.05191 0.04576 -0.01776 -0.02803 -0.01689 105 14 H 1S -0.00184 -0.01441 0.15749 -0.13232 0.08359 106 2S -0.01814 -0.15945 0.00892 0.10856 0.22198 107 15 C 1S -0.01514 0.00000 -0.00363 -0.02239 0.00000 108 2S 0.14615 0.00000 0.13375 0.25146 0.00000 109 2PX -0.06754 0.00000 -0.17583 -0.28112 0.00000 110 2PY 0.00001 -0.85348 0.00000 0.00001 0.25765 111 2PZ -0.45846 -0.00002 -0.22651 -0.30817 0.00001 112 3S -0.30178 0.00000 -0.23283 -0.34894 0.00000 113 3PX 0.11479 0.00000 0.63416 0.66044 0.00000 114 3PY -0.00002 1.46684 -0.00001 -0.00002 -0.53811 115 3PZ 0.94780 0.00003 0.72885 0.94603 -0.00001 116 4XX 0.02772 0.00000 0.00798 0.01270 0.00000 117 4YY -0.03416 0.00000 -0.02558 -0.01960 0.00000 118 4ZZ -0.03183 0.00000 0.00555 -0.02083 0.00000 119 4XY 0.00000 -0.04312 0.00000 0.00000 0.03034 120 4XZ 0.00054 0.00000 0.03059 0.01646 0.00000 121 4YZ 0.00000 -0.05049 0.00000 0.00000 0.02434 122 16 C 1S -0.00944 -0.04597 -0.00661 -0.02133 0.01978 123 2S 0.01700 0.04464 -0.16620 0.00689 -0.08455 124 2PX 0.33505 -0.14722 -0.29037 0.00119 -0.43675 125 2PY -0.06250 0.18018 -0.13176 -0.18633 0.07034 126 2PZ -0.13090 0.03244 0.02835 0.07926 -0.05742 127 3S -0.14340 1.08407 0.00830 -0.13919 -0.12615 128 3PX -0.40212 0.68418 0.54104 0.14204 0.89788 129 3PY 0.19256 0.72427 0.38037 0.35562 -0.13513 130 3PZ 0.17636 0.27190 0.15222 -0.03101 0.07754 131 4XX -0.02496 0.00942 -0.00439 0.00147 0.01655 132 4YY 0.00107 -0.02169 -0.03088 -0.00931 -0.00731 133 4ZZ 0.00252 0.00997 0.01537 -0.00806 0.02194 134 4XY 0.02333 -0.01326 -0.04772 -0.00788 0.00656 135 4XZ -0.01118 -0.01144 -0.01525 -0.02017 0.02834 136 4YZ 0.02613 -0.01531 -0.00189 -0.00882 -0.00055 137 17 C 1S -0.00944 0.04597 -0.00661 -0.02133 -0.01978 138 2S 0.01700 -0.04464 -0.16620 0.00689 0.08456 139 2PX 0.33505 0.14722 -0.29037 0.00118 0.43676 140 2PY 0.06251 0.18018 0.13176 0.18633 0.07034 141 2PZ -0.13090 -0.03243 0.02835 0.07927 0.05743 142 3S -0.14340 -1.08407 0.00829 -0.13918 0.12615 143 3PX -0.40212 -0.68418 0.54103 0.14205 -0.89788 144 3PY -0.19257 0.72428 -0.38038 -0.35563 -0.13513 145 3PZ 0.17635 -0.27187 0.15220 -0.03102 -0.07755 146 4XX -0.02496 -0.00942 -0.00439 0.00147 -0.01655 147 4YY 0.00107 0.02170 -0.03088 -0.00931 0.00731 148 4ZZ 0.00252 -0.00997 0.01537 -0.00806 -0.02194 149 4XY -0.02333 -0.01326 0.04772 0.00788 0.00656 150 4XZ -0.01118 0.01143 -0.01525 -0.02017 -0.02834 151 4YZ -0.02613 -0.01531 0.00189 0.00882 -0.00055 152 18 H 1S 0.06054 0.00000 -0.09371 -0.06885 0.00000 153 2S 0.03874 0.00000 -0.19609 -0.13655 0.00000 154 19 H 1S 0.09121 -0.08755 0.00242 -0.12373 0.04089 155 2S 0.08668 0.39141 0.31275 0.18558 0.03408 156 20 H 1S 0.09121 0.08755 0.00242 -0.12373 -0.04089 157 2S 0.08668 -0.39141 0.31275 0.18558 -0.03408 158 21 H 1S -0.16536 0.00000 -0.13073 -0.22985 0.00000 159 2S -0.22762 0.00000 -0.20071 -0.31329 0.00000 160 22 O 1S -0.00214 -0.00737 0.00120 0.00434 0.00342 161 2S -0.13984 0.09617 -0.01294 -0.15654 -0.07782 162 2PX 0.10179 0.02723 -0.07679 0.02814 0.10068 163 2PY 0.15663 -0.21102 0.03977 0.11663 0.14945 164 2PZ -0.08792 0.05690 -0.03774 -0.04650 0.04623 165 3S 0.61701 -0.27750 0.08037 0.56872 0.54585 166 3PX 0.00952 -0.21854 0.05018 -0.01000 0.04144 167 3PY -0.19743 0.01610 -0.02208 -0.15442 -0.09890 168 3PZ -0.12207 -0.25867 0.06391 0.01248 -0.02109 169 4XX -0.04010 0.02058 -0.01285 -0.03972 0.00342 170 4YY 0.00213 -0.00018 0.02099 -0.00640 -0.01381 171 4ZZ -0.04400 0.01480 -0.01039 -0.04210 0.00359 172 4XY 0.00353 0.05392 -0.01830 -0.01254 -0.00365 173 4XZ 0.03596 -0.01610 -0.01296 0.02836 0.05647 174 4YZ -0.00379 0.05931 -0.02258 -0.01779 0.00426 175 23 O 1S -0.00214 0.00737 0.00120 0.00434 -0.00342 176 2S -0.13984 -0.09617 -0.01294 -0.15654 0.07782 177 2PX 0.10179 -0.02723 -0.07679 0.02814 -0.10068 178 2PY -0.15663 -0.21102 -0.03977 -0.11662 0.14945 179 2PZ -0.08792 -0.05691 -0.03775 -0.04650 -0.04623 180 3S 0.61701 0.27751 0.08037 0.56872 -0.54585 181 3PX 0.00952 0.21854 0.05018 -0.01000 -0.04144 182 3PY 0.19744 0.01609 0.02208 0.15442 -0.09890 183 3PZ -0.12206 0.25868 0.06392 0.01248 0.02108 184 4XX -0.04010 -0.02058 -0.01285 -0.03972 -0.00342 185 4YY 0.00213 0.00018 0.02099 -0.00641 0.01381 186 4ZZ -0.04400 -0.01480 -0.01039 -0.04210 -0.00359 187 4XY -0.00353 0.05392 0.01830 0.01254 -0.00365 188 4XZ 0.03596 0.01610 -0.01296 0.02836 -0.05647 189 4YZ 0.00379 0.05931 0.02258 0.01780 0.00426 76 77 78 79 80 V V V V V Eigenvalues -- 0.57934 0.60743 0.61335 0.61823 0.63631 1 1 C 1S -0.04632 0.03205 0.00299 0.02864 -0.00125 2 2S 0.00217 0.03533 0.14763 -0.06679 0.05547 3 2PX 0.02266 -0.01880 -0.15826 -0.19102 -0.12212 4 2PY 0.11245 -0.11477 0.06944 0.08336 -0.01320 5 2PZ 0.00281 0.12854 0.05822 0.22819 0.47156 6 3S -0.11874 0.08069 -0.47103 -0.23631 -0.47045 7 3PX -0.30233 0.45286 0.09815 0.42904 0.18797 8 3PY -0.07632 0.24746 -0.41807 -0.77735 -0.26976 9 3PZ -0.12633 0.32268 -0.05049 -0.09680 -0.60598 10 4XX 0.02318 -0.01962 0.01649 0.03104 0.01820 11 4YY -0.03221 0.03853 0.02960 -0.03257 -0.01886 12 4ZZ -0.04532 0.03158 -0.02861 0.01866 0.00444 13 4XY 0.03578 -0.02178 -0.02096 -0.01419 -0.02065 14 4XZ -0.06397 0.05133 -0.02246 0.00526 -0.01099 15 4YZ -0.01035 0.03618 0.02631 0.01176 0.01810 16 2 H 1S -0.23796 0.16237 0.10862 -0.05960 -0.02498 17 2S 0.00854 0.03248 -0.24776 -0.31271 -0.05903 18 3 C 1S 0.02297 -0.01987 0.00852 -0.02372 -0.02650 19 2S -0.06308 0.14436 0.12639 -0.22301 0.02181 20 2PX -0.22302 -0.05258 -0.48239 0.08583 -0.26954 21 2PY 0.28144 -0.11548 -0.06863 -0.17283 0.07863 22 2PZ -0.12522 0.25481 0.26128 0.06420 0.15251 23 3S -0.04685 -0.00758 -0.11504 0.67908 0.29968 24 3PX 0.19928 0.31611 0.61772 0.09400 0.61327 25 3PY -0.30223 -0.24880 0.23420 0.19764 0.08378 26 3PZ 0.02639 0.02209 -0.09248 0.11237 0.09995 27 4XX -0.01057 -0.00316 -0.01415 -0.02515 -0.02656 28 4YY 0.02671 0.01809 0.00210 -0.04658 -0.01844 29 4ZZ 0.00416 -0.00134 0.06270 0.00919 0.02956 30 4XY -0.01575 0.00192 -0.02490 -0.01468 0.01089 31 4XZ 0.01698 -0.01540 0.04334 -0.03473 -0.01491 32 4YZ -0.02143 0.00097 0.02861 -0.02741 -0.00041 33 4 H 1S 0.01110 -0.04074 0.20332 -0.23023 -0.06942 34 2S 0.00019 0.13972 0.08623 0.12277 0.16897 35 5 C 1S 0.02297 0.01987 0.00852 -0.02372 0.02650 36 2S -0.06308 -0.14436 0.12639 -0.22301 -0.02181 37 2PX -0.22302 0.05259 -0.48239 0.08584 0.26954 38 2PY -0.28143 -0.11548 0.06862 0.17283 0.07863 39 2PZ -0.12523 -0.25482 0.26129 0.06421 -0.15251 40 3S -0.04685 0.00757 -0.11504 0.67908 -0.29969 41 3PX 0.19928 -0.31611 0.61772 0.09399 -0.61327 42 3PY 0.30223 -0.24880 -0.23420 -0.19764 0.08379 43 3PZ 0.02640 -0.02210 -0.09249 0.11237 -0.09995 44 4XX -0.01057 0.00316 -0.01415 -0.02515 0.02656 45 4YY 0.02671 -0.01809 0.00210 -0.04658 0.01844 46 4ZZ 0.00416 0.00134 0.06270 0.00919 -0.02956 47 4XY 0.01575 0.00192 0.02490 0.01468 0.01089 48 4XZ 0.01698 0.01540 0.04334 -0.03473 0.01491 49 4YZ 0.02143 0.00097 -0.02861 0.02741 -0.00041 50 6 H 1S 0.01110 0.04074 0.20332 -0.23023 0.06942 51 2S 0.00019 -0.13972 0.08623 0.12276 -0.16897 52 7 C 1S -0.04632 -0.03205 0.00299 0.02864 0.00125 53 2S 0.00217 -0.03533 0.14763 -0.06679 -0.05547 54 2PX 0.02266 0.01881 -0.15826 -0.19102 0.12212 55 2PY -0.11245 -0.11477 -0.06945 -0.08337 -0.01318 56 2PZ 0.00281 -0.12854 0.05822 0.22819 -0.47156 57 3S -0.11875 -0.08069 -0.47103 -0.23631 0.47045 58 3PX -0.30233 -0.45287 0.09815 0.42903 -0.18797 59 3PY 0.07633 0.24746 0.41807 0.77736 -0.26978 60 3PZ -0.12632 -0.32267 -0.05048 -0.09677 0.60597 61 4XX 0.02318 0.01962 0.01649 0.03104 -0.01821 62 4YY -0.03221 -0.03854 0.02960 -0.03257 0.01886 63 4ZZ -0.04532 -0.03158 -0.02861 0.01866 -0.00444 64 4XY -0.03577 -0.02178 0.02096 0.01419 -0.02065 65 4XZ -0.06397 -0.05133 -0.02246 0.00526 0.01099 66 4YZ 0.01035 0.03618 -0.02631 -0.01176 0.01810 67 8 H 1S -0.23796 -0.16237 0.10862 -0.05961 0.02498 68 2S 0.00854 -0.03248 -0.24776 -0.31271 0.05903 69 9 C 1S 0.01475 -0.00271 0.00444 -0.00859 0.02528 70 2S -0.12541 0.14552 -0.01705 -0.01993 -0.23406 71 2PX 0.00938 -0.09582 0.16360 0.06159 0.07822 72 2PY 0.24630 0.04729 -0.05457 -0.33689 -0.31951 73 2PZ 0.33540 -0.38613 0.05337 0.02695 -0.01530 74 3S 0.33035 -0.51277 0.01857 -0.10273 1.00038 75 3PX 0.05092 0.20297 -0.29580 -0.19856 -0.18670 76 3PY -0.35145 0.01241 0.17820 0.64584 0.75649 77 3PZ -0.39518 1.03853 -0.28615 -0.19740 -0.11157 78 4XX -0.00545 -0.01705 0.02315 0.03489 -0.03157 79 4YY 0.01432 0.00224 -0.02671 -0.06354 0.03133 80 4ZZ -0.00033 0.02032 0.00270 0.00944 0.00900 81 4XY 0.01813 -0.00334 -0.01066 0.00902 0.00516 82 4XZ -0.00125 0.00808 0.00997 -0.01345 0.02600 83 4YZ 0.00832 0.00058 -0.00253 0.04210 0.01762 84 10 H 1S 0.02453 -0.02254 0.06166 0.03830 0.04349 85 2S 0.03053 -0.10393 0.06993 0.06538 0.16980 86 11 H 1S -0.01266 -0.06813 0.15691 0.00619 0.03312 87 2S -0.01759 -0.01854 0.09268 0.12521 0.13494 88 12 C 1S 0.01475 0.00271 0.00444 -0.00859 -0.02528 89 2S -0.12541 -0.14552 -0.01706 -0.01993 0.23406 90 2PX 0.00938 0.09582 0.16360 0.06160 -0.07822 91 2PY -0.24632 0.04727 0.05457 0.33689 -0.31951 92 2PZ 0.33539 0.38613 0.05337 0.02697 0.01528 93 3S 0.33035 0.51277 0.01857 -0.10273 -1.00038 94 3PX 0.05092 -0.20296 -0.29580 -0.19856 0.18670 95 3PY 0.35146 0.01246 -0.17819 -0.64583 0.75649 96 3PZ -0.39517 -1.03853 -0.28616 -0.19744 0.11160 97 4XX -0.00545 0.01705 0.02315 0.03489 0.03157 98 4YY 0.01432 -0.00224 -0.02671 -0.06353 -0.03133 99 4ZZ -0.00033 -0.02032 0.00270 0.00943 -0.00900 100 4XY -0.01813 -0.00334 0.01066 -0.00902 0.00516 101 4XZ -0.00125 -0.00808 0.00997 -0.01345 -0.02600 102 4YZ -0.00832 0.00058 0.00253 -0.04210 0.01762 103 13 H 1S 0.02453 0.02254 0.06166 0.03830 -0.04349 104 2S 0.03053 0.10393 0.06993 0.06538 -0.16980 105 14 H 1S -0.01266 0.06813 0.15691 0.00619 -0.03312 106 2S -0.01758 0.01854 0.09268 0.12521 -0.13494 107 15 C 1S 0.00672 0.00000 0.00311 0.00174 0.00000 108 2S -0.03542 0.00000 -0.00718 -0.03273 0.00000 109 2PX -0.08769 0.00000 0.02110 0.02759 0.00000 110 2PY 0.00000 0.04604 0.00000 0.00000 -0.00713 111 2PZ -0.04551 0.00000 0.08460 -0.12307 0.00000 112 3S -0.01864 0.00000 -0.07418 0.07526 0.00000 113 3PX 0.46549 0.00000 -0.14449 0.05273 0.00000 114 3PY -0.00001 -0.09956 0.00001 -0.00001 0.07582 115 3PZ 0.29339 0.00000 -0.34189 0.51990 0.00000 116 4XX 0.00060 0.00000 -0.01688 0.00841 0.00000 117 4YY -0.00665 0.00000 0.01210 0.01986 0.00000 118 4ZZ 0.00259 0.00000 0.01034 -0.02784 0.00000 119 4XY 0.00000 -0.02055 0.00000 0.00000 0.01142 120 4XZ 0.03118 0.00000 -0.01176 0.03020 0.00000 121 4YZ 0.00000 -0.00655 0.00000 0.00000 -0.00525 122 16 C 1S -0.00533 0.01846 0.01199 -0.00897 -0.01499 123 2S -0.34790 0.22840 0.13636 -0.21676 0.14387 124 2PX -0.10734 0.17634 0.12778 -0.03991 -0.01433 125 2PY 0.06060 -0.33690 0.16183 0.06952 0.23757 126 2PZ -0.12503 0.23663 -0.04716 -0.12707 -0.11712 127 3S 0.64564 -0.66049 0.03055 0.46163 -0.68293 128 3PX 0.26522 -0.53544 -0.14765 0.14145 0.17576 129 3PY -0.16203 0.33524 -0.39304 -0.20992 -0.76951 130 3PZ 0.19561 -0.51818 -0.00423 0.06525 -0.15672 131 4XX 0.01625 -0.02777 0.02564 0.00534 0.05020 132 4YY -0.03595 0.06435 0.03863 -0.01183 -0.04352 133 4ZZ -0.01962 -0.00801 -0.02286 -0.02911 0.00401 134 4XY -0.01725 0.00329 0.01259 -0.01358 0.00558 135 4XZ -0.01730 -0.00245 0.01811 -0.01521 -0.00563 136 4YZ -0.04666 0.00509 0.00046 -0.05780 -0.00839 137 17 C 1S -0.00533 -0.01846 0.01199 -0.00897 0.01499 138 2S -0.34790 -0.22840 0.13636 -0.21676 -0.14387 139 2PX -0.10734 -0.17634 0.12777 -0.03991 0.01433 140 2PY -0.06060 -0.33689 -0.16183 -0.06952 0.23756 141 2PZ -0.12503 -0.23664 -0.04717 -0.12708 0.11713 142 3S 0.64564 0.66049 0.03056 0.46164 0.68293 143 3PX 0.26522 0.53544 -0.14765 0.14146 -0.17576 144 3PY 0.16202 0.33522 0.39304 0.20991 -0.76952 145 3PZ 0.19562 0.51819 -0.00422 0.06527 0.15669 146 4XX 0.01625 0.02777 0.02564 0.00534 -0.05020 147 4YY -0.03596 -0.06435 0.03863 -0.01183 0.04352 148 4ZZ -0.01961 0.00801 -0.02286 -0.02911 -0.00401 149 4XY 0.01725 0.00329 -0.01259 0.01358 0.00558 150 4XZ -0.01730 0.00245 0.01811 -0.01521 0.00563 151 4YZ 0.04666 0.00508 -0.00046 0.05780 -0.00839 152 18 H 1S -0.08722 0.00000 -0.00111 -0.02243 0.00000 153 2S -0.20517 0.00000 0.09487 -0.00104 0.00000 154 19 H 1S -0.17118 0.09522 0.00263 -0.28336 -0.20249 155 2S 0.04863 -0.04654 -0.18007 0.01021 -0.24492 156 20 H 1S -0.17118 -0.09522 0.00263 -0.28336 0.20249 157 2S 0.04863 0.04654 -0.18007 0.01021 0.24492 158 21 H 1S -0.08734 0.00000 0.10551 -0.19891 0.00000 159 2S -0.05846 0.00000 0.14882 -0.19904 0.00000 160 22 O 1S 0.00312 0.00518 0.00036 0.00267 -0.00252 161 2S -0.02575 -0.02868 0.01996 -0.06318 0.05441 162 2PX -0.05919 -0.07569 -0.00534 0.03001 0.01939 163 2PY -0.10318 -0.09278 -0.03117 -0.13872 0.02635 164 2PZ -0.03143 -0.05434 0.04677 -0.04792 -0.04086 165 3S -0.12433 -0.39300 -0.09159 0.00188 -0.03974 166 3PX 0.10640 0.16421 0.02295 0.05357 -0.02377 167 3PY 0.01755 0.07621 -0.03010 0.02714 0.03783 168 3PZ 0.10300 0.11047 0.00078 0.02976 -0.03688 169 4XX -0.03161 -0.04999 -0.00150 -0.03264 0.03822 170 4YY -0.00103 0.00503 0.00501 -0.02291 0.00362 171 4ZZ -0.00323 -0.00952 0.00513 -0.01441 0.00613 172 4XY -0.01986 -0.01736 -0.00224 -0.02095 -0.00114 173 4XZ -0.03223 -0.05520 0.00745 -0.01457 0.01013 174 4YZ -0.00810 -0.01179 0.00721 -0.00977 -0.00319 175 23 O 1S 0.00312 -0.00518 0.00036 0.00267 0.00252 176 2S -0.02575 0.02868 0.01996 -0.06318 -0.05441 177 2PX -0.05919 0.07569 -0.00534 0.03002 -0.01939 178 2PY 0.10318 -0.09278 0.03117 0.13873 0.02635 179 2PZ -0.03143 0.05434 0.04677 -0.04791 0.04087 180 3S -0.12433 0.39300 -0.09159 0.00188 0.03974 181 3PX 0.10640 -0.16421 0.02295 0.05357 0.02376 182 3PY -0.01756 0.07621 0.03010 -0.02714 0.03783 183 3PZ 0.10300 -0.11047 0.00078 0.02976 0.03688 184 4XX -0.03161 0.04999 -0.00150 -0.03264 -0.03822 185 4YY -0.00103 -0.00503 0.00501 -0.02291 -0.00362 186 4ZZ -0.00323 0.00952 0.00513 -0.01441 -0.00613 187 4XY 0.01987 -0.01736 0.00224 0.02095 -0.00113 188 4XZ -0.03223 0.05520 0.00745 -0.01457 -0.01013 189 4YZ 0.00810 -0.01179 -0.00721 0.00976 -0.00319 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S -0.01596 0.00039 0.01539 0.00177 -0.01016 2 2S 0.13196 0.19974 -0.31506 -0.15357 -0.06522 3 2PX -0.20700 -0.02791 0.22041 0.27941 0.33085 4 2PY 0.09175 0.22001 -0.38880 0.10199 0.03101 5 2PZ -0.16104 -0.02604 0.03766 -0.57864 -0.07852 6 3S -0.52193 -0.56575 0.75166 0.51805 -0.17621 7 3PX -0.05441 0.06070 -0.79417 -0.18682 -0.62111 8 3PY -0.31356 -0.59589 0.95242 -0.28777 -0.04451 9 3PZ 0.20148 0.12253 -0.14159 1.37130 0.13364 10 4XX 0.03423 0.01574 -0.00044 0.00462 0.00739 11 4YY -0.02156 0.01496 0.02483 -0.04485 0.00827 12 4ZZ -0.01794 -0.02117 -0.01898 0.02188 -0.03448 13 4XY 0.01044 -0.01117 0.00613 0.01329 0.01578 14 4XZ -0.03370 0.00780 0.01102 0.00163 -0.00902 15 4YZ 0.02063 -0.02493 -0.01127 0.01102 -0.00452 16 2 H 1S -0.14274 0.13516 0.05768 -0.09197 0.02553 17 2S 0.00298 -0.13458 0.31161 -0.05808 -0.02092 18 3 C 1S 0.04388 0.04067 -0.02179 -0.00066 -0.02249 19 2S -0.18409 0.01599 -0.19129 0.03950 0.11325 20 2PX -0.42792 0.01924 -0.02952 -0.14865 -0.36930 21 2PY -0.24116 -0.19982 -0.19004 0.00905 0.10197 22 2PZ 0.16977 0.06716 0.12718 0.11302 0.23454 23 3S 0.68019 0.05610 -0.49770 0.33061 -0.36036 24 3PX 0.68472 -0.01981 -0.17982 0.43528 0.95771 25 3PY 0.61401 -0.00946 0.28706 -0.08001 -0.15892 26 3PZ -0.27653 -0.18085 -0.44492 -0.17987 -0.40898 27 4XX -0.01810 0.00021 -0.01718 -0.00204 0.00082 28 4YY 0.05569 0.03386 -0.03660 0.00921 -0.01785 29 4ZZ 0.00472 0.01635 -0.01255 0.00318 0.01676 30 4XY -0.00623 0.00961 0.05108 -0.03837 0.00901 31 4XZ 0.04063 0.04481 -0.05956 0.00282 -0.01294 32 4YZ -0.01271 0.00701 0.03756 -0.01357 0.00663 33 4 H 1S 0.15104 0.17450 -0.03546 -0.04069 -0.03721 34 2S 0.04250 -0.24949 -0.17671 0.10211 0.11779 35 5 C 1S -0.04388 -0.04067 -0.02179 -0.00066 0.02249 36 2S 0.18409 -0.01599 -0.19129 0.03950 -0.11324 37 2PX 0.42792 -0.01924 -0.02952 -0.14865 0.36930 38 2PY -0.24115 -0.19982 0.19003 -0.00906 0.10198 39 2PZ -0.16978 -0.06716 0.12718 0.11301 -0.23453 40 3S -0.68019 -0.05610 -0.49770 0.33061 0.36036 41 3PX -0.68472 0.01981 -0.17982 0.43528 -0.95772 42 3PY 0.61400 -0.00947 -0.28704 0.08001 -0.15894 43 3PZ 0.27656 0.18085 -0.44493 -0.17987 0.40897 44 4XX 0.01810 -0.00021 -0.01718 -0.00204 -0.00082 45 4YY -0.05569 -0.03386 -0.03660 0.00921 0.01785 46 4ZZ -0.00472 -0.01635 -0.01256 0.00319 -0.01676 47 4XY -0.00623 0.00961 -0.05108 0.03837 0.00900 48 4XZ -0.04063 -0.04481 -0.05956 0.00282 0.01294 49 4YZ -0.01271 0.00701 -0.03756 0.01357 0.00663 50 6 H 1S -0.15104 -0.17450 -0.03546 -0.04069 0.03721 51 2S -0.04250 0.24949 -0.17670 0.10211 -0.11779 52 7 C 1S 0.01596 -0.00039 0.01539 0.00177 0.01016 53 2S -0.13196 -0.19974 -0.31506 -0.15357 0.06522 54 2PX 0.20700 0.02791 0.22042 0.27940 -0.33084 55 2PY 0.09175 0.22000 0.38880 -0.10197 0.03101 56 2PZ 0.16105 0.02605 0.03767 -0.57864 0.07852 57 3S 0.52194 0.56575 0.75166 0.51805 0.17620 58 3PX 0.05441 -0.06070 -0.79417 -0.18682 0.62110 59 3PY -0.31356 -0.59589 -0.95241 0.28772 -0.04450 60 3PZ -0.20149 -0.12255 -0.14163 1.37131 -0.13366 61 4XX -0.03423 -0.01574 -0.00044 0.00462 -0.00739 62 4YY 0.02156 -0.01496 0.02482 -0.04485 -0.00827 63 4ZZ 0.01794 0.02117 -0.01898 0.02188 0.03448 64 4XY 0.01044 -0.01117 -0.00613 -0.01329 0.01578 65 4XZ 0.03370 -0.00780 0.01102 0.00163 0.00902 66 4YZ 0.02063 -0.02493 0.01127 -0.01103 -0.00452 67 8 H 1S 0.14274 -0.13516 0.05768 -0.09197 -0.02553 68 2S -0.00298 0.13458 0.31161 -0.05808 0.02092 69 9 C 1S -0.01275 0.02763 0.00405 -0.02146 0.00407 70 2S 0.06145 -0.31579 -0.10742 0.11659 -0.02068 71 2PX 0.07094 -0.01414 -0.09426 -0.04718 -0.06432 72 2PY 0.29711 -0.45352 0.08290 -0.29161 0.06676 73 2PZ 0.11987 0.24323 -0.14119 -0.10991 0.12071 74 3S -0.24950 1.09484 0.30104 -0.91074 -0.10597 75 3PX -0.11575 -0.11576 0.30569 0.18953 0.20497 76 3PY -0.62682 1.47135 -0.38942 0.66659 -0.24685 77 3PZ -0.33523 -0.97870 0.40936 0.37652 -0.37412 78 4XX 0.01801 -0.00982 -0.02296 0.03434 0.00570 79 4YY -0.02989 0.03741 0.01020 -0.01434 -0.00687 80 4ZZ 0.00503 -0.02596 0.00646 -0.04539 0.00191 81 4XY 0.00144 -0.00092 0.01801 -0.02752 0.00017 82 4XZ -0.00003 -0.01834 -0.01213 -0.00582 -0.00855 83 4YZ -0.00862 0.00201 -0.06661 0.00364 -0.00240 84 10 H 1S -0.02150 0.19715 0.07256 -0.18927 -0.00229 85 2S -0.05709 0.36652 -0.28896 0.09130 0.09154 86 11 H 1S -0.02428 0.14085 -0.07612 0.01295 0.05509 87 2S -0.07960 0.35715 -0.19637 -0.08561 -0.07312 88 12 C 1S 0.01275 -0.02763 0.00405 -0.02146 -0.00407 89 2S -0.06145 0.31579 -0.10742 0.11659 0.02068 90 2PX -0.07094 0.01414 -0.09426 -0.04718 0.06432 91 2PY 0.29711 -0.45351 -0.08289 0.29161 0.06677 92 2PZ -0.11986 -0.24325 -0.14120 -0.10990 -0.12070 93 3S 0.24950 -1.09484 0.30105 -0.91074 0.10597 94 3PX 0.11575 0.11576 0.30568 0.18953 -0.20497 95 3PY -0.62684 1.47131 0.38940 -0.66661 -0.24686 96 3PZ 0.33521 0.97875 0.40938 0.37649 0.37410 97 4XX -0.01801 0.00982 -0.02296 0.03434 -0.00570 98 4YY 0.02989 -0.03741 0.01020 -0.01434 0.00687 99 4ZZ -0.00503 0.02596 0.00646 -0.04539 -0.00191 100 4XY 0.00144 -0.00092 -0.01801 0.02752 0.00017 101 4XZ 0.00003 0.01834 -0.01213 -0.00581 0.00855 102 4YZ -0.00861 0.00201 0.06661 -0.00364 -0.00240 103 13 H 1S 0.02150 -0.19715 0.07256 -0.18927 0.00229 104 2S 0.05709 -0.36652 -0.28896 0.09130 -0.09154 105 14 H 1S 0.02428 -0.14085 -0.07612 0.01295 -0.05509 106 2S 0.07960 -0.35715 -0.19637 -0.08561 0.07312 107 15 C 1S 0.00000 0.00000 -0.00782 -0.00062 0.00000 108 2S 0.00000 0.00000 -0.02791 0.03203 0.00000 109 2PX 0.00000 0.00000 -0.14211 0.04270 0.00000 110 2PY 0.00690 -0.11718 0.00000 0.00000 0.00318 111 2PZ 0.00000 0.00000 0.19919 -0.00971 0.00000 112 3S 0.00000 0.00000 0.07493 -0.03200 0.00000 113 3PX 0.00000 0.00000 0.55984 -0.11932 0.00000 114 3PY -0.02808 0.23172 0.00001 0.00000 0.09579 115 3PZ 0.00000 0.00000 -0.30149 0.09413 0.00000 116 4XX 0.00000 0.00000 -0.01675 0.00899 0.00000 117 4YY 0.00000 0.00000 0.00982 0.02204 0.00000 118 4ZZ 0.00000 0.00000 0.00294 -0.01697 0.00000 119 4XY -0.01311 -0.01827 0.00000 0.00000 0.02576 120 4XZ 0.00000 0.00000 0.03374 0.01119 0.00000 121 4YZ -0.00173 -0.01544 0.00000 0.00000 0.01047 122 16 C 1S -0.00159 0.01345 0.00636 -0.01662 -0.00627 123 2S 0.09429 -0.02709 -0.16149 -0.11922 -0.33761 124 2PX 0.29347 0.08911 0.01238 -0.09402 -0.31930 125 2PY 0.09448 -0.20691 0.16815 0.02574 -0.38109 126 2PZ -0.10988 0.05381 -0.22056 0.06931 -0.00956 127 3S -0.51542 0.34678 0.49818 0.50493 1.87008 128 3PX -0.68339 -0.25199 0.15936 0.02826 1.00546 129 3PY -0.32299 0.69189 -0.37793 -0.19784 1.04116 130 3PZ 0.05503 0.03162 0.45951 0.00728 0.60725 131 4XX 0.01615 -0.03512 0.03097 -0.02273 -0.01323 132 4YY -0.01973 0.03974 0.00460 -0.01106 0.05511 133 4ZZ -0.00312 0.00451 -0.03594 0.00305 -0.02735 134 4XY 0.00430 -0.00343 -0.03107 -0.02836 -0.01761 135 4XZ -0.00650 -0.00722 0.00863 -0.00055 0.00376 136 4YZ 0.00048 0.00722 0.00738 -0.00892 -0.00474 137 17 C 1S 0.00159 -0.01345 0.00636 -0.01662 0.00627 138 2S -0.09429 0.02709 -0.16149 -0.11922 0.33761 139 2PX -0.29347 -0.08911 0.01238 -0.09402 0.31930 140 2PY 0.09447 -0.20690 -0.16814 -0.02575 -0.38109 141 2PZ 0.10988 -0.05382 -0.22057 0.06931 0.00955 142 3S 0.51542 -0.34678 0.49818 0.50493 -1.87008 143 3PX 0.68339 0.25199 0.15936 0.02826 -1.00545 144 3PY -0.32299 0.69189 0.37791 0.19784 1.04118 145 3PZ -0.05504 -0.03159 0.45952 0.00729 -0.60721 146 4XX -0.01615 0.03512 0.03097 -0.02273 0.01323 147 4YY 0.01973 -0.03974 0.00460 -0.01106 -0.05511 148 4ZZ 0.00312 -0.00450 -0.03595 0.00306 0.02735 149 4XY 0.00430 -0.00343 0.03107 0.02836 -0.01761 150 4XZ 0.00650 0.00722 0.00863 -0.00055 -0.00376 151 4YZ 0.00048 0.00722 -0.00738 0.00892 -0.00475 152 18 H 1S 0.00000 0.00000 -0.21831 -0.02974 0.00000 153 2S 0.00000 0.00000 -0.28164 0.08683 0.00000 154 19 H 1S -0.02606 0.17400 0.04814 -0.06173 -0.07846 155 2S -0.06710 0.13584 0.01432 -0.06302 0.39540 156 20 H 1S 0.02606 -0.17400 0.04814 -0.06173 0.07846 157 2S 0.06710 -0.13584 0.01432 -0.06302 -0.39540 158 21 H 1S 0.00000 0.00000 -0.08968 -0.09415 0.00000 159 2S 0.00000 0.00000 0.25221 0.00829 0.00000 160 22 O 1S 0.00051 0.00501 0.00675 0.00640 -0.00806 161 2S 0.03358 -0.00152 -0.02277 0.00866 -0.04023 162 2PX -0.05318 -0.09552 -0.18945 -0.02535 0.09267 163 2PY -0.02601 -0.10269 -0.10304 -0.06966 0.07016 164 2PZ 0.00894 0.10322 0.08250 0.01071 -0.05269 165 3S -0.25039 -0.25315 -0.28643 -0.18803 0.61527 166 3PX 0.04273 0.08568 0.22129 0.10744 -0.24801 167 3PY 0.05042 0.05918 0.07820 0.06090 -0.16548 168 3PZ 0.06207 -0.02944 0.03329 0.01418 -0.09695 169 4XX 0.00802 -0.02370 -0.04356 0.00605 -0.00328 170 4YY 0.00429 0.01188 -0.00048 -0.00066 0.00726 171 4ZZ 0.00239 -0.00409 0.00701 0.00570 -0.02205 172 4XY -0.00575 0.00622 -0.00989 -0.00274 0.02694 173 4XZ -0.01986 -0.01618 -0.02284 -0.00369 0.03066 174 4YZ -0.02323 0.00584 -0.00950 -0.01710 0.04015 175 23 O 1S -0.00051 -0.00501 0.00675 0.00640 0.00806 176 2S -0.03358 0.00152 -0.02277 0.00866 0.04023 177 2PX 0.05318 0.09552 -0.18945 -0.02535 -0.09268 178 2PY -0.02601 -0.10268 0.10304 0.06966 0.07016 179 2PZ -0.00894 -0.10322 0.08250 0.01071 0.05270 180 3S 0.25039 0.25315 -0.28643 -0.18803 -0.61527 181 3PX -0.04273 -0.08568 0.22129 0.10744 0.24801 182 3PY 0.05043 0.05917 -0.07821 -0.06090 -0.16549 183 3PZ -0.06206 0.02944 0.03329 0.01418 0.09694 184 4XX -0.00802 0.02370 -0.04356 0.00605 0.00328 185 4YY -0.00429 -0.01188 -0.00048 -0.00066 -0.00726 186 4ZZ -0.00240 0.00409 0.00701 0.00571 0.02205 187 4XY -0.00576 0.00622 0.00989 0.00274 0.02694 188 4XZ 0.01986 0.01618 -0.02284 -0.00369 -0.03066 189 4YZ -0.02323 0.00583 0.00950 0.01710 0.04015 86 87 88 89 90 V V V V V Eigenvalues -- 0.75190 0.77536 0.79574 0.79877 0.81071 1 1 C 1S -0.00365 0.00521 -0.00441 -0.01244 -0.00370 2 2S -0.17610 0.08622 0.11668 0.14774 -0.00298 3 2PX -0.41639 -0.21901 0.10504 -0.33530 0.05451 4 2PY -0.22950 0.15290 0.07234 -0.01574 0.06703 5 2PZ -0.27854 -0.08732 -0.02445 0.12342 -0.05971 6 3S 0.19693 -0.49476 0.00105 0.06488 0.16034 7 3PX 0.69243 0.69066 -0.20520 0.06782 -0.08312 8 3PY 0.47345 -0.59505 0.02731 0.41741 -0.08709 9 3PZ 0.77547 0.49078 0.10574 -0.62843 0.13180 10 4XX -0.02387 0.01241 -0.01283 0.01377 0.00265 11 4YY -0.00046 -0.00932 0.02460 0.03469 0.00566 12 4ZZ -0.00088 -0.00541 -0.00010 -0.03135 -0.01210 13 4XY 0.03315 0.02530 -0.01055 0.02774 0.00227 14 4XZ -0.03610 0.00903 0.00063 0.01366 0.00640 15 4YZ 0.01606 0.00938 -0.00111 0.00122 -0.00263 16 2 H 1S -0.07059 -0.02058 0.08796 -0.06263 0.03392 17 2S 0.19748 -0.22028 -0.03813 0.13041 -0.09563 18 3 C 1S 0.02616 0.00436 0.01006 0.00283 0.00895 19 2S -0.18320 -0.00523 0.02152 0.10198 -0.01147 20 2PX 0.00046 -0.01297 0.15216 0.00872 0.07123 21 2PY 0.17750 0.09381 0.07404 0.41297 0.05478 22 2PZ -0.20908 -0.05867 -0.01439 -0.05193 0.00639 23 3S 0.63271 0.79554 -0.00510 -1.19713 0.04455 24 3PX 0.02017 0.23338 -0.20506 -0.73922 -0.09470 25 3PY -0.45079 -0.33677 -0.08840 -0.93609 -0.05500 26 3PZ 0.28730 0.28209 -0.06424 -0.46164 -0.08855 27 4XX 0.01613 0.00731 0.01224 0.02296 -0.00285 28 4YY 0.00610 0.01563 -0.00026 -0.05608 -0.00166 29 4ZZ -0.01693 -0.00735 -0.00271 0.02453 0.01069 30 4XY 0.00135 -0.03610 0.02547 -0.00657 0.01308 31 4XZ 0.03203 0.01443 0.02362 0.01563 0.01707 32 4YZ -0.01577 -0.05232 0.02053 -0.01726 0.01246 33 4 H 1S 0.18825 -0.11639 0.15091 -0.07365 0.09846 34 2S -0.12497 0.15301 -0.24620 -0.49968 -0.18190 35 5 C 1S 0.02616 0.00436 0.01006 -0.00283 0.00895 36 2S -0.18321 -0.00523 0.02152 -0.10198 -0.01147 37 2PX 0.00046 -0.01297 0.15216 -0.00872 0.07123 38 2PY -0.17749 -0.09381 -0.07404 0.41297 -0.05478 39 2PZ -0.20909 -0.05867 -0.01439 0.05194 0.00639 40 3S 0.63272 0.79554 -0.00511 1.19713 0.04455 41 3PX 0.02017 0.23338 -0.20506 0.73922 -0.09470 42 3PY 0.45078 0.33676 0.08841 -0.93611 0.05500 43 3PZ 0.28732 0.28210 -0.06424 0.46161 -0.08855 44 4XX 0.01613 0.00731 0.01224 -0.02296 -0.00285 45 4YY 0.00610 0.01563 -0.00026 0.05608 -0.00166 46 4ZZ -0.01693 -0.00734 -0.00271 -0.02453 0.01069 47 4XY -0.00135 0.03610 -0.02547 -0.00657 -0.01308 48 4XZ 0.03203 0.01443 0.02362 -0.01563 0.01707 49 4YZ 0.01577 0.05232 -0.02053 -0.01725 -0.01246 50 6 H 1S 0.18826 -0.11639 0.15091 0.07365 0.09846 51 2S -0.12497 0.15301 -0.24621 0.49968 -0.18190 52 7 C 1S -0.00365 0.00521 -0.00441 0.01244 -0.00370 53 2S -0.17610 0.08622 0.11668 -0.14774 -0.00298 54 2PX -0.41639 -0.21901 0.10504 0.33530 0.05451 55 2PY 0.22951 -0.15289 -0.07234 -0.01574 -0.06702 56 2PZ -0.27853 -0.08732 -0.02445 -0.12342 -0.05971 57 3S 0.19693 -0.49476 0.00106 -0.06488 0.16034 58 3PX 0.69244 0.69066 -0.20520 -0.06782 -0.08312 59 3PY -0.47347 0.59504 -0.02732 0.41739 0.08709 60 3PZ 0.77545 0.49080 0.10574 0.62845 0.13180 61 4XX -0.02387 0.01241 -0.01283 -0.01377 0.00265 62 4YY -0.00045 -0.00932 0.02460 -0.03469 0.00566 63 4ZZ -0.00088 -0.00542 -0.00010 0.03135 -0.01210 64 4XY -0.03314 -0.02530 0.01055 0.02774 -0.00227 65 4XZ -0.03610 0.00903 0.00063 -0.01366 0.00640 66 4YZ -0.01606 -0.00938 0.00112 0.00121 0.00263 67 8 H 1S -0.07059 -0.02058 0.08796 0.06263 0.03392 68 2S 0.19748 -0.22028 -0.03813 -0.13042 -0.09563 69 9 C 1S -0.01431 -0.00145 0.01023 0.00337 0.00161 70 2S -0.07859 -0.05336 0.08783 -0.05462 0.13045 71 2PX 0.00151 0.01255 -0.00148 -0.02168 0.23539 72 2PY -0.08158 -0.14041 0.03157 0.15122 -0.02877 73 2PZ -0.19749 -0.00079 0.01151 0.04066 -0.00155 74 3S -0.21577 -0.31086 -0.24838 -0.06216 -0.33454 75 3PX 0.06515 -0.22157 0.12722 0.26961 -0.25670 76 3PY 0.03248 0.42754 0.07813 -0.90932 0.14263 77 3PZ 0.70986 0.01467 -0.13317 -0.16214 -0.05212 78 4XX -0.00972 0.01234 0.01486 -0.03258 -0.00051 79 4YY -0.00112 -0.03900 -0.00645 -0.01822 0.00514 80 4ZZ -0.02406 0.00856 0.01125 0.04477 0.01804 81 4XY 0.00158 -0.01418 0.05776 0.01105 0.06495 82 4XZ -0.01089 -0.03288 -0.02159 -0.05817 -0.03927 83 4YZ -0.06527 0.02027 -0.01702 -0.00414 -0.01558 84 10 H 1S -0.04967 0.00852 0.28231 0.21552 0.26245 85 2S -0.31910 -0.06022 -0.05673 -0.23109 -0.26256 86 11 H 1S -0.13397 -0.00809 -0.02897 -0.24520 -0.17432 87 2S -0.19849 0.24924 0.11655 -0.14626 0.40895 88 12 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 89 2S -0.07859 -0.05336 0.08783 0.05463 0.13045 90 2PX 0.00152 0.01255 -0.00148 0.02168 0.23539 91 2PY 0.08159 0.14041 -0.03157 0.15122 0.02876 92 2PZ -0.19748 -0.00079 0.01151 -0.04066 -0.00154 93 3S -0.21577 -0.31086 -0.24838 0.06215 -0.33454 94 3PX 0.06515 -0.22157 0.12722 -0.26960 -0.25671 95 3PY -0.03251 -0.42754 -0.07812 -0.90933 -0.14262 96 3PZ 0.70986 0.01466 -0.13318 0.16210 -0.05213 97 4XX -0.00972 0.01234 0.01486 0.03258 -0.00051 98 4YY -0.00113 -0.03900 -0.00645 0.01822 0.00514 99 4ZZ -0.02406 0.00856 0.01125 -0.04477 0.01804 100 4XY -0.00158 0.01418 -0.05776 0.01105 -0.06495 101 4XZ -0.01089 -0.03287 -0.02159 0.05817 -0.03927 102 4YZ 0.06528 -0.02028 0.01702 -0.00414 0.01558 103 13 H 1S -0.04967 0.00852 0.28231 -0.21552 0.26245 104 2S -0.31910 -0.06022 -0.05673 0.23109 -0.26256 105 14 H 1S -0.13397 -0.00809 -0.02897 0.24520 -0.17432 106 2S -0.19848 0.24924 0.11655 0.14626 0.40895 107 15 C 1S 0.01846 -0.04871 -0.04321 0.00000 -0.00668 108 2S 0.14077 -0.18593 0.30357 0.00000 0.08023 109 2PX -0.00282 -0.23808 0.30686 0.00000 -0.52061 110 2PY 0.00000 -0.00001 0.00000 -0.03512 -0.00001 111 2PZ -0.03260 0.29846 -0.13186 0.00000 0.54410 112 3S -0.29020 0.54546 -0.33315 0.00000 -0.08138 113 3PX -0.17796 1.11621 -0.90256 0.00000 0.97902 114 3PY 0.00000 0.00001 0.00000 0.07330 0.00002 115 3PZ -0.18594 -0.59062 0.07613 0.00000 -1.15779 116 4XX -0.00503 -0.09614 -0.12721 0.00000 0.12257 117 4YY 0.04203 -0.04458 0.11340 0.00000 0.02799 118 4ZZ 0.01960 0.04281 0.01560 0.00000 -0.14221 119 4XY 0.00000 0.00000 0.00000 0.00191 0.00000 120 4XZ -0.01850 0.03491 -0.02843 0.00000 -0.01309 121 4YZ 0.00000 0.00000 0.00000 -0.00208 0.00000 122 16 C 1S 0.00559 0.01482 0.00121 0.00873 -0.00526 123 2S -0.00651 -0.01716 0.27398 -0.08448 0.14427 124 2PX 0.28094 0.13342 0.14392 0.02135 0.03750 125 2PY 0.05703 -0.10272 0.08561 -0.32556 -0.01260 126 2PZ -0.11522 -0.16824 0.21078 -0.30750 0.05134 127 3S -0.21038 -0.44553 -0.11558 0.86626 -0.18032 128 3PX -0.33028 -0.19937 -0.32620 0.36681 -0.11972 129 3PY -0.05345 0.51315 -0.27736 1.44330 0.02879 130 3PZ -0.00367 0.29679 -0.38702 0.97828 -0.01425 131 4XX 0.00319 0.00246 -0.01607 -0.01520 0.01443 132 4YY 0.00802 -0.02456 0.04109 0.05818 0.01680 133 4ZZ -0.02586 0.03922 -0.00116 -0.00836 -0.02627 134 4XY 0.01244 0.03728 -0.04761 -0.00417 -0.00168 135 4XZ -0.03422 0.04486 0.02648 -0.01005 0.01016 136 4YZ -0.04436 0.01521 -0.05743 -0.00394 -0.01679 137 17 C 1S 0.00559 0.01482 0.00121 -0.00873 -0.00526 138 2S -0.00651 -0.01716 0.27397 0.08448 0.14427 139 2PX 0.28094 0.13342 0.14392 -0.02135 0.03750 140 2PY -0.05704 0.10273 -0.08561 -0.32557 0.01260 141 2PZ -0.11522 -0.16824 0.21077 0.30749 0.05134 142 3S -0.21040 -0.44553 -0.11557 -0.86626 -0.18032 143 3PX -0.33029 -0.19937 -0.32620 -0.36681 -0.11972 144 3PY 0.05346 -0.51316 0.27736 1.44334 -0.02879 145 3PZ -0.00368 0.29677 -0.38700 -0.97823 -0.01425 146 4XX 0.00319 0.00246 -0.01607 0.01520 0.01443 147 4YY 0.00801 -0.02456 0.04109 -0.05818 0.01680 148 4ZZ -0.02585 0.03922 -0.00115 0.00836 -0.02627 149 4XY -0.01244 -0.03728 0.04761 -0.00417 0.00168 150 4XZ -0.03422 0.04486 0.02648 0.01005 0.01016 151 4YZ 0.04436 -0.01521 0.05744 -0.00394 0.01679 152 18 H 1S 0.10116 -0.57529 -0.60233 0.00000 0.47704 153 2S 0.15677 -0.46901 1.17531 0.00000 -1.23453 154 19 H 1S -0.17333 0.27518 -0.17709 -0.01100 -0.05898 155 2S 0.20577 0.17701 -0.06812 0.86376 0.13322 156 20 H 1S -0.17333 0.27518 -0.17709 0.01099 -0.05898 157 2S 0.20577 0.17701 -0.06811 -0.86376 0.13322 158 21 H 1S 0.17114 -0.09015 -0.07281 0.00000 -0.56959 159 2S 0.10694 0.21438 -0.18146 0.00000 1.38319 160 22 O 1S -0.00228 -0.00474 0.01091 0.00258 0.00368 161 2S 0.03329 -0.20401 -0.12842 0.00831 -0.03426 162 2PX 0.11621 -0.16474 -0.11460 -0.09442 0.05647 163 2PY -0.05488 0.07713 -0.16281 -0.01583 -0.03951 164 2PZ 0.04613 -0.10424 -0.05925 0.13498 -0.09400 165 3S 0.08749 0.47808 0.21387 0.13069 0.07251 166 3PX -0.14077 -0.04391 0.13156 0.04623 -0.14504 167 3PY 0.01056 -0.00142 0.14884 -0.08605 0.04979 168 3PZ -0.08617 0.10602 0.00518 -0.07981 0.17218 169 4XX 0.02038 -0.04573 0.02149 0.00030 -0.03047 170 4YY -0.00069 -0.05652 -0.09100 0.03292 -0.02238 171 4ZZ 0.01124 -0.08585 -0.03367 -0.01159 0.03293 172 4XY -0.01726 0.00915 -0.03646 0.03032 0.03029 173 4XZ 0.02293 -0.01171 0.05257 0.01333 0.01924 174 4YZ 0.00363 0.03768 -0.00779 0.00412 -0.03298 175 23 O 1S -0.00228 -0.00474 0.01091 -0.00258 0.00368 176 2S 0.03329 -0.20401 -0.12842 -0.00831 -0.03427 177 2PX 0.11621 -0.16474 -0.11460 0.09442 0.05647 178 2PY 0.05487 -0.07713 0.16282 -0.01582 0.03951 179 2PZ 0.04613 -0.10425 -0.05924 -0.13498 -0.09399 180 3S 0.08748 0.47808 0.21388 -0.13069 0.07251 181 3PX -0.14076 -0.04391 0.13156 -0.04623 -0.14504 182 3PY -0.01056 0.00142 -0.14884 -0.08605 -0.04980 183 3PZ -0.08617 0.10602 0.00518 0.07981 0.17218 184 4XX 0.02038 -0.04573 0.02149 -0.00029 -0.03047 185 4YY -0.00069 -0.05652 -0.09100 -0.03292 -0.02238 186 4ZZ 0.01124 -0.08586 -0.03367 0.01159 0.03293 187 4XY 0.01726 -0.00915 0.03645 0.03032 -0.03029 188 4XZ 0.02293 -0.01171 0.05257 -0.01332 0.01923 189 4YZ -0.00363 -0.03768 0.00779 0.00412 0.03298 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84210 0.85443 0.86451 0.88060 1 1 C 1S 0.00195 0.00720 -0.00750 0.00083 0.00290 2 2S -0.10212 0.10685 0.08918 -0.16346 0.10419 3 2PX 0.12934 -0.06491 -0.00980 0.08898 0.07353 4 2PY -0.17554 -0.05024 -0.00849 -0.09099 0.05730 5 2PZ -0.30210 0.03918 0.01409 -0.21702 -0.02450 6 3S 1.31977 -0.35500 -0.73769 0.80237 -0.42177 7 3PX -0.67112 -0.13443 0.15284 0.31735 0.01956 8 3PY 0.65036 0.02331 -0.58093 0.31081 -0.33021 9 3PZ 1.45852 -0.65508 -0.10377 0.98700 -0.13561 10 4XX 0.02344 -0.03788 0.02421 0.01861 -0.00872 11 4YY -0.02317 0.00520 -0.06659 -0.02640 0.01663 12 4ZZ 0.02705 0.05429 0.03689 -0.00012 -0.00774 13 4XY 0.02865 -0.01257 0.03634 0.01204 0.01120 14 4XZ 0.02592 -0.01193 -0.00299 0.00971 0.01889 15 4YZ 0.00489 -0.00139 0.02488 -0.01343 0.01344 16 2 H 1S -0.12857 -0.00648 -0.09359 -0.03796 0.09063 17 2S 0.41167 0.07201 0.04032 0.16129 -0.21891 18 3 C 1S -0.01251 0.00743 -0.02295 0.00878 -0.01514 19 2S 0.12978 -0.05240 0.05662 -0.18448 0.32588 20 2PX -0.04674 -0.08924 -0.20725 0.12049 -0.21610 21 2PY 0.15766 -0.05226 -0.41082 -0.00780 -0.21223 22 2PZ 0.15129 -0.08413 -0.50883 0.14682 -0.31994 23 3S -0.51808 -0.45091 1.39789 0.44346 -0.68970 24 3PX 0.14521 0.06092 1.00451 -0.16129 0.50377 25 3PY -0.33206 0.38333 1.91093 -0.43841 0.43516 26 3PZ -0.87743 0.24498 1.78146 -0.55098 0.66167 27 4XX 0.01216 0.01699 -0.00079 -0.01958 0.00477 28 4YY -0.01565 -0.02274 0.07392 -0.00897 0.02092 29 4ZZ -0.00371 -0.00331 -0.02507 -0.00450 0.02014 30 4XY -0.00724 -0.01075 -0.02289 0.00058 -0.06035 31 4XZ -0.01641 0.01267 -0.02857 -0.00401 -0.02714 32 4YZ -0.01604 0.04154 -0.02385 0.00125 -0.04446 33 4 H 1S -0.02198 0.18748 -0.33068 0.12651 -0.30965 34 2S -0.20985 0.14411 1.68739 -0.54996 1.02872 35 5 C 1S 0.01251 0.00743 0.02295 -0.00878 -0.01514 36 2S -0.12978 -0.05240 -0.05662 0.18448 0.32588 37 2PX 0.04674 -0.08924 0.20725 -0.12049 -0.21610 38 2PY 0.15766 0.05227 -0.41084 -0.00779 0.21224 39 2PZ -0.15128 -0.08413 0.50881 -0.14682 -0.31993 40 3S 0.51808 -0.45092 -1.39789 -0.44346 -0.68970 41 3PX -0.14521 0.06092 -1.00451 0.16128 0.50377 42 3PY -0.33210 -0.38334 1.91100 -0.43843 -0.43519 43 3PZ 0.87742 0.24497 -1.78139 0.55096 0.66166 44 4XX -0.01216 0.01699 0.00079 0.01958 0.00477 45 4YY 0.01565 -0.02274 -0.07392 0.00897 0.02092 46 4ZZ 0.00370 -0.00331 0.02507 0.00450 0.02014 47 4XY -0.00724 0.01075 -0.02289 0.00058 0.06035 48 4XZ 0.01641 0.01267 0.02857 0.00401 -0.02713 49 4YZ -0.01604 -0.04154 -0.02386 0.00125 0.04446 50 6 H 1S 0.02198 0.18748 0.33068 -0.12651 -0.30965 51 2S 0.20985 0.14411 -1.68739 0.54996 1.02873 52 7 C 1S -0.00195 0.00720 0.00750 -0.00083 0.00290 53 2S 0.10212 0.10685 -0.08918 0.16346 0.10419 54 2PX -0.12934 -0.06491 0.00980 -0.08898 0.07353 55 2PY -0.17556 0.05024 -0.00849 -0.09099 -0.05730 56 2PZ 0.30209 0.03918 -0.01409 0.21702 -0.02450 57 3S -1.31977 -0.35501 0.73769 -0.80237 -0.42177 58 3PX 0.67112 -0.13443 -0.15284 -0.31735 0.01956 59 3PY 0.65042 -0.02328 -0.58093 0.31085 0.33023 60 3PZ -1.45849 -0.65509 0.10375 -0.98699 -0.13559 61 4XX -0.02344 -0.03788 -0.02421 -0.01861 -0.00872 62 4YY 0.02317 0.00520 0.06659 0.02640 0.01664 63 4ZZ -0.02705 0.05429 -0.03689 0.00012 -0.00775 64 4XY 0.02866 0.01257 0.03634 0.01204 -0.01120 65 4XZ -0.02592 -0.01193 0.00300 -0.00971 0.01888 66 4YZ 0.00490 0.00139 0.02489 -0.01343 -0.01344 67 8 H 1S 0.12857 -0.00648 0.09359 0.03796 0.09064 68 2S -0.41167 0.07200 -0.04032 -0.16129 -0.21892 69 9 C 1S -0.00423 -0.02740 0.01106 0.00278 0.00149 70 2S 0.03663 0.15840 -0.09056 -0.01924 -0.21342 71 2PX -0.44425 0.14808 -0.10360 0.52802 0.14492 72 2PY -0.27030 -0.00849 -0.08188 -0.16913 0.08279 73 2PZ -0.19331 -0.03846 -0.05197 -0.28769 -0.07681 74 3S -0.28391 0.53396 0.55449 -0.23709 0.68664 75 3PX 1.76157 -0.16809 0.19830 -1.46081 -0.23046 76 3PY 1.12576 -0.41195 0.23521 0.90727 -0.27290 77 3PZ 1.14778 0.00271 0.22322 1.26000 0.15461 78 4XX -0.01210 -0.05665 0.00739 -0.00069 -0.03145 79 4YY 0.02300 0.07265 0.00057 0.01253 -0.01314 80 4ZZ -0.01968 0.00385 0.00271 -0.01610 0.02264 81 4XY -0.00128 0.00803 -0.00340 0.01744 0.00910 82 4XZ -0.03415 0.05673 0.02080 -0.05666 0.00050 83 4YZ -0.00515 0.03142 0.00385 -0.00881 -0.02758 84 10 H 1S -0.04181 -0.34973 -0.07776 0.18908 0.05092 85 2S 0.37846 0.12310 0.04885 -1.11150 -0.40923 86 11 H 1S -0.04818 -0.26726 0.07576 -0.13743 -0.10324 87 2S -0.75553 -0.00789 -0.29974 0.96007 0.01260 88 12 C 1S 0.00423 -0.02740 -0.01106 -0.00278 0.00149 89 2S -0.03663 0.15840 0.09056 0.01924 -0.21342 90 2PX 0.44425 0.14808 0.10360 -0.52802 0.14491 91 2PY -0.27030 0.00849 -0.08188 -0.16914 -0.08278 92 2PZ 0.19330 -0.03846 0.05196 0.28768 -0.07681 93 3S 0.28391 0.53396 -0.55449 0.23708 0.68665 94 3PX -1.76156 -0.16809 -0.19830 1.46081 -0.23046 95 3PY 1.12580 0.41196 0.23522 0.90732 0.27290 96 3PZ -1.14774 0.00272 -0.22321 -1.25996 0.15462 97 4XX 0.01210 -0.05665 -0.00739 0.00069 -0.03145 98 4YY -0.02300 0.07265 -0.00057 -0.01253 -0.01314 99 4ZZ 0.01968 0.00385 -0.00271 0.01610 0.02265 100 4XY -0.00129 -0.00803 -0.00340 0.01744 -0.00910 101 4XZ 0.03415 0.05673 -0.02080 0.05666 0.00050 102 4YZ -0.00515 -0.03142 0.00385 -0.00882 0.02758 103 13 H 1S 0.04181 -0.34973 0.07776 -0.18908 0.05092 104 2S -0.37845 0.12310 -0.04885 1.11151 -0.40923 105 14 H 1S 0.04818 -0.26726 -0.07576 0.13743 -0.10324 106 2S 0.75552 -0.00790 0.29974 -0.96007 0.01259 107 15 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 108 2S 0.00000 -0.59689 0.00000 0.00000 -0.09430 109 2PX 0.00000 0.17547 0.00000 0.00000 -0.01069 110 2PY 0.01727 0.00000 0.01735 -0.05023 0.00000 111 2PZ 0.00000 -0.18814 0.00000 0.00000 -0.07998 112 3S 0.00000 1.37942 0.00000 0.00000 0.36075 113 3PX 0.00000 -0.66899 0.00000 0.00000 -0.14453 114 3PY -0.02805 -0.00001 -0.07676 0.08532 0.00000 115 3PZ 0.00000 0.38094 0.00000 0.00000 -0.06962 116 4XX 0.00000 0.03393 0.00000 0.00000 0.00608 117 4YY 0.00000 -0.03071 0.00000 0.00000 0.02724 118 4ZZ 0.00000 -0.08760 0.00000 0.00000 -0.00015 119 4XY -0.00196 0.00000 -0.00514 0.02282 0.00000 120 4XZ 0.00000 0.00033 0.00000 0.00000 -0.04137 121 4YZ 0.01319 0.00000 0.00650 0.01570 0.00000 122 16 C 1S -0.00555 0.01307 -0.00609 -0.01815 -0.01109 123 2S 0.01063 -0.08951 0.07042 0.16381 0.50895 124 2PX 0.16012 0.04955 -0.02520 -0.00043 -0.05706 125 2PY 0.21289 0.00316 -0.25661 -0.16926 -0.25844 126 2PZ -0.22359 0.06606 -0.29149 -0.28227 -0.26226 127 3S -0.49638 0.22656 0.51320 0.15114 -1.11542 128 3PX -0.46911 -0.01272 0.26976 0.03935 0.20849 129 3PY -0.67146 -0.03884 1.14474 0.74912 0.63955 130 3PZ 0.70241 -0.11030 1.05179 0.96400 0.66046 131 4XX -0.00820 0.04416 0.01359 0.03290 0.03619 132 4YY -0.03560 -0.02122 0.04282 0.02817 0.02243 133 4ZZ 0.02529 0.01327 -0.01394 -0.03296 0.01205 134 4XY -0.00251 -0.00437 -0.00559 -0.00750 -0.06122 135 4XZ 0.00362 0.06527 -0.00795 -0.00123 -0.00484 136 4YZ 0.01167 0.03941 -0.01749 -0.02244 -0.06396 137 17 C 1S 0.00555 0.01307 0.00609 0.01815 -0.01109 138 2S -0.01063 -0.08951 -0.07042 -0.16381 0.50895 139 2PX -0.16012 0.04955 0.02520 0.00043 -0.05706 140 2PY 0.21288 -0.00316 -0.25662 -0.16927 0.25845 141 2PZ 0.22360 0.06606 0.29148 0.28226 -0.26225 142 3S 0.49638 0.22656 -0.51320 -0.15114 -1.11542 143 3PX 0.46912 -0.01272 -0.26976 -0.03935 0.20849 144 3PY -0.67143 0.03885 1.14478 0.74915 -0.63958 145 3PZ -0.70243 -0.11031 -1.05175 -0.96397 0.66043 146 4XX 0.00820 0.04416 -0.01359 -0.03290 0.03619 147 4YY 0.03560 -0.02121 -0.04281 -0.02817 0.02242 148 4ZZ -0.02529 0.01327 0.01394 0.03295 0.01206 149 4XY -0.00251 0.00436 -0.00559 -0.00750 0.06122 150 4XZ -0.00362 0.06527 0.00795 0.00123 -0.00484 151 4YZ 0.01167 -0.03942 -0.01749 -0.02244 0.06396 152 18 H 1S 0.00000 0.03575 0.00000 0.00000 0.07715 153 2S 0.00000 -0.04219 0.00000 0.00000 -0.07141 154 19 H 1S 0.08090 0.10598 -0.17412 -0.29646 -0.25887 155 2S 0.10135 -0.29767 1.03404 1.01008 1.13661 156 20 H 1S -0.08090 0.10598 0.17412 0.29646 -0.25887 157 2S -0.10135 -0.29768 -1.03404 -1.01008 1.13661 158 21 H 1S 0.00000 -0.26640 0.00000 0.00000 0.15199 159 2S 0.00000 -0.39439 0.00000 0.00000 -0.15689 160 22 O 1S -0.00236 0.00789 -0.00258 -0.00554 0.01246 161 2S 0.06277 -0.25679 -0.07324 -0.04121 0.02688 162 2PX -0.06071 -0.11460 0.02358 0.03451 -0.04238 163 2PY 0.04014 -0.16501 -0.01472 0.06044 -0.12145 164 2PZ 0.06623 -0.17196 -0.01511 -0.05707 0.02552 165 3S -0.00310 0.07251 0.34701 0.21150 -0.26353 166 3PX -0.04193 0.21798 -0.09158 -0.12895 0.10914 167 3PY -0.00230 0.33388 -0.07967 -0.14763 0.35102 168 3PZ 0.01079 0.08133 0.06612 0.10990 -0.06769 169 4XX 0.02113 -0.09697 -0.02555 0.00553 0.02678 170 4YY 0.00190 -0.08520 -0.00192 -0.01517 -0.03011 171 4ZZ 0.02919 -0.06049 -0.03116 -0.02672 0.02923 172 4XY -0.00180 0.04625 0.02085 0.02517 -0.00424 173 4XZ 0.01734 -0.02514 -0.00442 -0.02154 0.01476 174 4YZ -0.00595 0.01657 0.00430 0.00000 -0.01256 175 23 O 1S 0.00236 0.00789 0.00258 0.00554 0.01246 176 2S -0.06277 -0.25679 0.07324 0.04121 0.02688 177 2PX 0.06071 -0.11460 -0.02358 -0.03451 -0.04238 178 2PY 0.04014 0.16502 -0.01472 0.06043 0.12145 179 2PZ -0.06623 -0.17195 0.01511 0.05708 0.02553 180 3S 0.00310 0.07251 -0.34701 -0.21150 -0.26353 181 3PX 0.04193 0.21798 0.09158 0.12895 0.10914 182 3PY -0.00230 -0.33388 -0.07966 -0.14762 -0.35102 183 3PZ -0.01079 0.08132 -0.06612 -0.10991 -0.06770 184 4XX -0.02113 -0.09697 0.02555 -0.00552 0.02678 185 4YY -0.00190 -0.08520 0.00192 0.01517 -0.03011 186 4ZZ -0.02919 -0.06049 0.03116 0.02672 0.02923 187 4XY -0.00180 -0.04625 0.02085 0.02517 0.00424 188 4XZ -0.01734 -0.02515 0.00442 0.02154 0.01476 189 4YZ -0.00595 -0.01657 0.00429 0.00000 0.01256 96 97 98 99 100 V V V V V Eigenvalues -- 0.88445 0.88520 0.88709 0.89806 0.91385 1 1 C 1S 0.00206 -0.02135 0.02361 0.01639 0.00615 2 2S -0.17400 0.37339 -0.21052 -0.23064 -0.11129 3 2PX -0.05504 0.12770 0.11755 -0.05373 0.01994 4 2PY 0.20875 -0.61756 0.14225 0.23606 0.26364 5 2PZ -0.04364 0.12009 0.21375 0.06382 -0.02677 6 3S -0.05988 0.00999 1.22511 0.36655 0.31455 7 3PX 0.17939 -0.88176 -0.94843 -0.23002 0.03645 8 3PY -0.71233 1.86293 -0.13667 -0.79220 -0.44638 9 3PZ 0.05885 -0.93793 -1.13511 -0.41128 0.33608 10 4XX -0.02045 0.06445 -0.01697 -0.05983 -0.03332 11 4YY 0.00912 -0.07701 0.04753 0.01931 0.04421 12 4ZZ -0.02910 0.06043 -0.02159 0.01071 -0.02962 13 4XY 0.00815 -0.03106 -0.04839 -0.01337 0.00579 14 4XZ -0.02291 0.02799 0.00813 -0.03228 -0.00730 15 4YZ 0.03284 -0.05422 -0.02205 -0.00045 0.01770 16 2 H 1S 0.13046 -0.39996 0.18835 0.23014 0.27825 17 2S -0.57856 1.60537 -0.50229 -0.77217 -0.58643 18 3 C 1S -0.01246 -0.00115 0.00703 -0.00839 -0.00500 19 2S -0.10049 0.10245 -0.11913 0.22247 -0.10246 20 2PX -0.22046 0.18626 0.33438 -0.08951 0.06201 21 2PY -0.10668 -0.10926 -0.16589 -0.19091 0.06352 22 2PZ -0.25768 0.20284 0.27853 -0.25474 -0.00495 23 3S 0.10805 -1.06326 0.04565 -0.90042 0.46186 24 3PX 0.58500 -1.30094 -1.38361 0.31164 0.05061 25 3PY 0.27996 0.62028 1.08440 0.73554 -0.14693 26 3PZ 0.63850 -1.23312 -1.13698 0.67324 0.08964 27 4XX -0.00075 -0.02077 -0.02333 0.04777 0.01913 28 4YY -0.02572 0.02136 0.01024 -0.00918 -0.01482 29 4ZZ 0.02259 -0.02081 -0.01907 -0.00777 -0.02187 30 4XY -0.03478 -0.00796 0.03024 -0.00217 0.02178 31 4XZ -0.02787 -0.03835 -0.00104 -0.00086 0.00503 32 4YZ -0.03859 -0.00378 0.02881 0.00365 -0.01501 33 4 H 1S -0.17061 0.02100 0.15786 0.01110 0.02030 34 2S 0.72505 -0.47317 -0.73562 0.78915 -0.07414 35 5 C 1S -0.01246 0.00115 -0.00703 -0.00839 -0.00500 36 2S -0.10048 -0.10246 0.11913 0.22247 -0.10246 37 2PX -0.22044 -0.18628 -0.33439 -0.08951 0.06201 38 2PY 0.10671 -0.10924 -0.16587 0.19092 -0.06352 39 2PZ -0.25765 -0.20287 -0.27854 -0.25473 -0.00495 40 3S 0.10794 1.06328 -0.04566 -0.90042 0.46186 41 3PX 0.58485 1.30099 1.38362 0.31164 0.05061 42 3PY -0.28007 0.62020 1.08435 -0.73556 0.14693 43 3PZ 0.63835 1.23320 1.13703 0.67321 0.08965 44 4XX -0.00075 0.02077 0.02333 0.04777 0.01913 45 4YY -0.02572 -0.02137 -0.01024 -0.00918 -0.01482 46 4ZZ 0.02259 0.02081 0.01908 -0.00777 -0.02187 47 4XY 0.03478 -0.00796 0.03024 0.00217 -0.02178 48 4XZ -0.02787 0.03834 0.00104 -0.00086 0.00503 49 4YZ 0.03859 -0.00378 0.02881 -0.00365 0.01501 50 6 H 1S -0.17060 -0.02101 -0.15786 0.01110 0.02030 51 2S 0.72499 0.47323 0.73563 0.78915 -0.07414 52 7 C 1S 0.00206 0.02135 -0.02361 0.01639 0.00615 53 2S -0.17396 -0.37341 0.21051 -0.23064 -0.11129 54 2PX -0.05503 -0.12771 -0.11755 -0.05373 0.01994 55 2PY -0.20869 -0.61758 0.14225 -0.23606 -0.26364 56 2PZ -0.04363 -0.12012 -0.21375 0.06381 -0.02678 57 3S -0.05986 -0.00999 -1.22511 0.36655 0.31455 58 3PX 0.17929 0.88178 0.94843 -0.23002 0.03646 59 3PY 0.71214 1.86296 -0.13671 0.79222 0.44637 60 3PZ 0.05876 0.93801 1.13510 -0.41124 0.33610 61 4XX -0.02044 -0.06445 0.01697 -0.05983 -0.03332 62 4YY 0.00911 0.07701 -0.04753 0.01931 0.04421 63 4ZZ -0.02910 -0.06043 0.02158 0.01071 -0.02962 64 4XY -0.00814 -0.03106 -0.04839 0.01337 -0.00579 65 4XZ -0.02290 -0.02799 -0.00813 -0.03227 -0.00730 66 4YZ -0.03283 -0.05422 -0.02205 0.00045 -0.01769 67 8 H 1S 0.13042 0.39997 -0.18835 0.23014 0.27825 68 2S -0.57841 -1.60542 0.50228 -0.77218 -0.58643 69 9 C 1S -0.00449 -0.00103 0.00613 -0.00794 0.01277 70 2S -0.25369 0.11021 -0.07382 0.11592 0.04831 71 2PX 0.16333 0.01704 -0.31220 -0.45792 -0.26018 72 2PY 0.05511 0.04202 0.17690 0.02626 0.05499 73 2PZ -0.21164 0.24043 0.06636 0.10709 -0.08727 74 3S 0.66177 -0.52285 0.30491 0.28221 -0.28358 75 3PX -0.12412 -0.05501 0.62313 0.85900 0.44119 76 3PY -0.09553 -0.60872 -0.91143 -0.16129 0.14830 77 3PZ 0.23889 -0.89480 -0.51287 -0.35130 0.06877 78 4XX -0.02815 0.01881 0.02323 0.00424 0.02409 79 4YY -0.04045 0.00673 -0.01680 0.03688 -0.02473 80 4ZZ 0.01962 -0.02096 -0.00674 -0.01728 0.01588 81 4XY 0.06970 0.01142 -0.01403 -0.01028 -0.01561 82 4XZ -0.01368 -0.01004 0.03610 0.07607 0.01082 83 4YZ -0.05893 0.04880 -0.00004 -0.00324 -0.02986 84 10 H 1S 0.31816 -0.01582 -0.13438 -0.28655 0.11514 85 2S -0.63574 0.36939 0.35597 0.78223 0.15323 86 11 H 1S -0.21859 0.04632 0.24284 0.08353 0.20424 87 2S 0.08731 0.21216 -0.70970 -0.71842 -0.26863 88 12 C 1S -0.00449 0.00103 -0.00613 -0.00794 0.01277 89 2S -0.25368 -0.11024 0.07381 0.11592 0.04831 90 2PX 0.16332 -0.01702 0.31221 -0.45792 -0.26018 91 2PY -0.05511 0.04203 0.17690 -0.02626 -0.05498 92 2PZ -0.21161 -0.24045 -0.06635 0.10709 -0.08727 93 3S 0.66172 0.52291 -0.30490 0.28221 -0.28358 94 3PX -0.12411 0.05500 -0.62313 0.85900 0.44120 95 3PY 0.09560 -0.60874 -0.91144 0.16130 -0.14831 96 3PZ 0.23880 0.89480 0.51284 -0.35129 0.06877 97 4XX -0.02814 -0.01882 -0.02323 0.00424 0.02409 98 4YY -0.04046 -0.00674 0.01680 0.03688 -0.02473 99 4ZZ 0.01962 0.02096 0.00675 -0.01727 0.01588 100 4XY -0.06970 0.01142 -0.01403 0.01028 0.01561 101 4XZ -0.01369 0.01004 -0.03610 0.07607 0.01082 102 4YZ 0.05892 0.04881 -0.00004 0.00324 0.02986 103 13 H 1S 0.31816 0.01585 0.13438 -0.28655 0.11514 104 2S -0.63569 -0.36945 -0.35598 0.78223 0.15323 105 14 H 1S -0.21858 -0.04635 -0.24285 0.08353 0.20424 106 2S 0.08731 -0.21215 0.70971 -0.71842 -0.26863 107 15 C 1S -0.00137 0.00000 0.00000 -0.01681 0.00577 108 2S 0.11503 0.00001 0.00000 0.34442 -0.95893 109 2PX 0.15854 0.00001 0.00000 -0.02500 -0.45035 110 2PY 0.00000 0.01368 0.05813 -0.00001 0.00000 111 2PZ -0.09567 0.00000 0.00000 0.31330 -0.25015 112 3S -0.37858 -0.00002 0.00000 -0.90193 2.60469 113 3PX -0.29852 -0.00002 0.00000 0.21151 0.67190 114 3PY -0.00001 0.00317 -0.18112 0.00001 0.00000 115 3PZ 0.50221 0.00003 0.00000 -0.63952 0.15571 116 4XX 0.00013 0.00000 0.00000 0.01002 -0.01699 117 4YY -0.02863 0.00000 0.00000 0.05319 -0.06143 118 4ZZ 0.02662 0.00000 0.00000 -0.06109 0.01458 119 4XY 0.00000 0.00196 -0.01273 0.00000 0.00000 120 4XZ 0.04069 0.00000 0.00000 0.00322 -0.00553 121 4YZ 0.00000 -0.01885 0.01641 0.00000 0.00000 122 16 C 1S 0.00219 0.00502 -0.00752 0.00499 0.00011 123 2S -0.38606 0.08279 0.25011 -0.04365 -0.02172 124 2PX -0.07944 -0.03176 0.00784 0.06989 0.09928 125 2PY 0.17632 -0.06636 -0.09108 0.09677 0.06932 126 2PZ 0.28379 0.02272 -0.37527 -0.00116 0.07430 127 3S 0.95098 -0.40508 -0.66147 0.07900 0.08802 128 3PX 0.03046 0.06369 0.00006 -0.17656 -0.23620 129 3PY -0.45445 -0.18171 0.25454 -0.22487 -0.08137 130 3PZ -0.50564 -0.12293 1.04782 -0.11533 -0.15151 131 4XX -0.02976 0.00458 0.03131 -0.00712 -0.01459 132 4YY -0.01574 0.00211 0.01786 0.01744 0.00752 133 4ZZ -0.01386 -0.00098 -0.01030 -0.02251 0.00087 134 4XY 0.04674 -0.00609 -0.00208 0.00817 0.01543 135 4XZ 0.02047 -0.00503 -0.01020 -0.02420 0.03472 136 4YZ 0.06428 0.00490 -0.02106 -0.02715 -0.00865 137 17 C 1S 0.00219 -0.00502 0.00752 0.00499 0.00011 138 2S -0.38605 -0.08283 -0.25012 -0.04365 -0.02172 139 2PX -0.07944 0.03175 -0.00784 0.06989 0.09928 140 2PY -0.17632 -0.06638 -0.09109 -0.09677 -0.06932 141 2PZ 0.28378 -0.02269 0.37528 -0.00117 0.07429 142 3S 0.95092 0.40518 0.66148 0.07900 0.08802 143 3PX 0.03047 -0.06369 -0.00006 -0.17656 -0.23620 144 3PY 0.45449 -0.18167 0.25459 0.22487 0.08137 145 3PZ -0.50562 0.12287 -1.04782 -0.11532 -0.15151 146 4XX -0.02976 -0.00459 -0.03131 -0.00712 -0.01459 147 4YY -0.01573 -0.00211 -0.01786 0.01744 0.00752 148 4ZZ -0.01387 0.00098 0.01030 -0.02251 0.00088 149 4XY -0.04674 -0.00610 -0.00208 -0.00817 -0.01544 150 4XZ 0.02047 0.00504 0.01020 -0.02420 0.03472 151 4YZ -0.06428 0.00489 -0.02106 0.02715 0.00865 152 18 H 1S -0.05167 0.00000 0.00000 -0.12113 0.34703 153 2S 0.41077 0.00002 0.00000 0.03815 -1.26434 154 19 H 1S 0.24845 -0.00891 -0.27864 -0.07545 -0.00253 155 2S -0.91985 -0.04279 0.95948 -0.06876 -0.14604 156 20 H 1S 0.24845 0.00894 0.27864 -0.07545 -0.00253 157 2S -0.91984 0.04269 -0.95949 -0.06876 -0.14604 158 21 H 1S -0.00466 0.00000 0.00000 -0.39981 0.39559 159 2S -0.32204 -0.00002 0.00000 1.09909 -0.93597 160 22 O 1S -0.00683 0.00094 -0.00074 -0.00210 -0.00073 161 2S 0.00170 -0.05292 -0.03019 0.01557 -0.14973 162 2PX 0.03414 -0.01028 0.04328 0.03438 0.00863 163 2PY 0.08589 -0.05059 0.00108 0.07889 -0.21774 164 2PZ -0.00083 0.01227 -0.07996 0.00868 0.02336 165 3S 0.09083 0.03892 0.20300 0.10010 0.12751 166 3PX 0.00569 0.02931 -0.07826 -0.10978 -0.15101 167 3PY -0.23133 0.08948 -0.01153 -0.19057 0.31803 168 3PZ 0.02332 -0.02387 0.18138 0.02398 -0.09459 169 4XX -0.01634 -0.00976 -0.01004 0.01979 -0.04623 170 4YY 0.04395 -0.01018 0.00336 -0.01387 -0.03787 171 4ZZ -0.02345 -0.02936 -0.01242 0.02529 -0.07805 172 4XY 0.00022 -0.00688 0.01241 -0.01127 0.02717 173 4XZ -0.01924 -0.00929 -0.00564 0.01334 -0.01234 174 4YZ 0.01462 0.00506 0.00059 -0.02857 0.02711 175 23 O 1S -0.00683 -0.00094 0.00074 -0.00210 -0.00073 176 2S 0.00169 0.05292 0.03019 0.01557 -0.14973 177 2PX 0.03414 0.01029 -0.04328 0.03438 0.00863 178 2PY -0.08589 -0.05059 0.00107 -0.07889 0.21774 179 2PZ -0.00083 -0.01227 0.07996 0.00868 0.02337 180 3S 0.09084 -0.03891 -0.20300 0.10010 0.12751 181 3PX 0.00569 -0.02931 0.07826 -0.10978 -0.15100 182 3PY 0.23132 0.08950 -0.01152 0.19057 -0.31803 183 3PZ 0.02333 0.02388 -0.18138 0.02399 -0.09460 184 4XX -0.01634 0.00976 0.01004 0.01979 -0.04623 185 4YY 0.04395 0.01018 -0.00336 -0.01387 -0.03787 186 4ZZ -0.02345 0.02936 0.01242 0.02530 -0.07806 187 4XY -0.00022 -0.00688 0.01241 0.01127 -0.02717 188 4XZ -0.01924 0.00929 0.00564 0.01334 -0.01234 189 4YZ -0.01461 0.00506 0.00058 0.02857 -0.02711 101 102 103 104 105 V V V V V Eigenvalues -- 0.93716 0.94030 0.95123 1.00793 1.01440 1 1 C 1S -0.00660 -0.00251 0.01119 -0.00773 0.00070 2 2S -0.19126 -0.44875 -0.08950 -0.43180 -0.03880 3 2PX -0.19680 0.04229 0.30456 -0.04065 -0.10220 4 2PY 0.04377 0.38618 0.15196 0.08627 0.05158 5 2PZ -0.10029 0.01493 0.18352 0.09761 -0.04419 6 3S 0.45002 1.17937 1.33046 2.11470 -0.29279 7 3PX 0.90172 -0.28339 -1.62841 -0.82998 0.60060 8 3PY -0.21414 -0.81390 -0.13493 -0.22264 0.44531 9 3PZ 0.83536 -0.55070 -1.55450 -0.50013 0.59673 10 4XX -0.03643 -0.04931 -0.00151 0.04644 -0.04190 11 4YY -0.04184 0.00234 0.02674 -0.08329 0.09365 12 4ZZ 0.04564 -0.02311 -0.00242 0.00309 -0.06585 13 4XY -0.00981 -0.02777 0.01679 0.05919 0.03021 14 4XZ -0.02713 -0.01992 0.07267 0.00968 0.02953 15 4YZ 0.01716 -0.00138 -0.01103 -0.04281 0.04314 16 2 H 1S -0.02889 0.19362 0.14243 -0.13036 0.39256 17 2S -0.14807 -0.96788 -0.38187 -0.15617 -0.14085 18 3 C 1S 0.00093 0.00626 -0.00337 -0.01326 -0.01530 19 2S -0.33659 -0.25520 0.25452 -0.46599 -0.49414 20 2PX 0.00598 0.10588 0.04303 0.12728 -0.10291 21 2PY 0.06951 0.08045 -0.27274 -0.27570 0.19422 22 2PZ 0.04207 0.18671 0.06744 0.14921 0.07545 23 3S 1.22565 0.00970 -0.85500 1.85090 1.66994 24 3PX 0.12589 -0.23181 -0.91471 -1.13486 0.08690 25 3PY -0.46919 0.26401 2.07325 2.34358 -0.98541 26 3PZ 0.05998 -0.30543 -0.84477 -1.23821 -0.24928 27 4XX -0.00622 -0.01928 -0.00076 -0.02105 -0.01981 28 4YY -0.01670 -0.04811 0.03744 0.02622 -0.02320 29 4ZZ -0.02343 0.03337 -0.01378 -0.06151 -0.02409 30 4XY -0.01124 0.02313 0.01310 -0.00547 0.00861 31 4XZ 0.00245 0.03608 -0.03191 -0.06790 -0.02812 32 4YZ -0.00737 0.08449 0.01241 -0.03104 -0.05309 33 4 H 1S 0.03554 0.32954 -0.13423 -0.22530 -0.25391 34 2S -0.32556 -0.57765 0.29793 -0.22918 -0.46372 35 5 C 1S -0.00093 0.00626 0.00337 0.01326 -0.01530 36 2S 0.33659 -0.25520 -0.25452 0.46599 -0.49413 37 2PX -0.00598 0.10588 -0.04303 -0.12728 -0.10291 38 2PY 0.06951 -0.08046 -0.27273 -0.27569 -0.19423 39 2PZ -0.04207 0.18671 -0.06745 -0.14922 0.07544 40 3S -1.22565 0.00970 0.85500 -1.85091 1.66994 41 3PX -0.12589 -0.23181 0.91471 1.13486 0.08690 42 3PY -0.46919 -0.26401 2.07322 2.34352 0.98541 43 3PZ -0.06000 -0.30544 0.84485 1.23830 -0.24924 44 4XX 0.00622 -0.01928 0.00076 0.02105 -0.01981 45 4YY 0.01670 -0.04810 -0.03744 -0.02621 -0.02320 46 4ZZ 0.02343 0.03336 0.01378 0.06151 -0.02409 47 4XY -0.01124 -0.02313 0.01310 -0.00547 -0.00860 48 4XZ -0.00245 0.03608 0.03191 0.06790 -0.02812 49 4YZ -0.00737 -0.08449 0.01240 -0.03104 0.05309 50 6 H 1S -0.03554 0.32954 0.13423 0.22530 -0.25391 51 2S 0.32556 -0.57765 -0.29793 0.22918 -0.46372 52 7 C 1S 0.00660 -0.00251 -0.01119 0.00773 0.00070 53 2S 0.19126 -0.44875 0.08950 0.43179 -0.03880 54 2PX 0.19680 0.04229 -0.30456 0.04065 -0.10220 55 2PY 0.04376 -0.38618 0.15197 0.08628 -0.05157 56 2PZ 0.10030 0.01492 -0.18352 -0.09761 -0.04419 57 3S -0.45001 1.17938 -1.33046 -2.11469 -0.29279 58 3PX -0.90173 -0.28339 1.62841 0.82998 0.60059 59 3PY -0.21410 0.81393 -0.13499 -0.22266 -0.44534 60 3PZ -0.83537 -0.55067 1.55449 0.50011 0.59671 61 4XX 0.03643 -0.04931 0.00151 -0.04644 -0.04190 62 4YY 0.04184 0.00234 -0.02674 0.08329 0.09365 63 4ZZ -0.04564 -0.02311 0.00242 -0.00309 -0.06586 64 4XY -0.00981 0.02777 0.01679 0.05919 -0.03021 65 4XZ 0.02713 -0.01992 -0.07267 -0.00968 0.02953 66 4YZ 0.01717 0.00138 -0.01103 -0.04281 -0.04314 67 8 H 1S 0.02889 0.19362 -0.14243 0.13036 0.39256 68 2S 0.14806 -0.96788 0.38187 0.15617 -0.14085 69 9 C 1S -0.02677 -0.02131 -0.01204 -0.00231 0.00030 70 2S 0.57972 -0.17168 0.32961 -0.23143 0.47162 71 2PX -0.06464 0.12030 0.18190 -0.07883 0.05701 72 2PY -0.27478 0.03066 0.00181 0.01397 -0.05812 73 2PZ 0.22350 -0.13513 0.13700 -0.09018 0.24373 74 3S -1.42022 0.73747 -0.29110 0.85138 -1.37876 75 3PX 0.13418 -0.30733 -0.09431 0.66661 -0.11437 76 3PY 1.15241 -0.16440 -0.81313 0.22173 0.15015 77 3PZ 0.07735 0.05219 -0.71978 0.15262 -0.08900 78 4XX -0.00366 -0.03287 -0.06415 -0.02520 -0.07386 79 4YY 0.04816 0.00036 0.01243 -0.00869 0.07129 80 4ZZ 0.00400 -0.01708 0.09213 0.00719 0.07070 81 4XY -0.00637 0.05402 0.03011 0.02348 -0.03531 82 4XZ 0.06432 -0.00478 -0.02229 -0.07107 0.00546 83 4YZ 0.01592 0.01512 0.00659 -0.00040 -0.03390 84 10 H 1S -0.50825 -0.05332 -0.05890 0.23800 -0.19776 85 2S 1.05454 -0.35864 0.10128 -0.24326 0.44802 86 11 H 1S -0.22158 -0.23251 -0.43751 -0.12797 -0.24176 87 2S 0.50204 0.26416 0.59464 -0.23964 0.60258 88 12 C 1S 0.02677 -0.02131 0.01204 0.00231 0.00030 89 2S -0.57973 -0.17167 -0.32961 0.23143 0.47162 90 2PX 0.06464 0.12029 -0.18190 0.07884 0.05701 91 2PY -0.27477 -0.03066 0.00181 0.01397 0.05811 92 2PZ -0.22351 -0.13513 -0.13700 0.09018 0.24373 93 3S 1.42022 0.73746 0.29110 -0.85139 -1.37876 94 3PX -0.13418 -0.30733 0.09431 -0.66661 -0.11437 95 3PY 1.15241 0.16439 -0.81316 0.22174 -0.15015 96 3PZ -0.07730 0.05220 0.71975 -0.15262 -0.08901 97 4XX 0.00366 -0.03287 0.06415 0.02520 -0.07386 98 4YY -0.04816 0.00036 -0.01243 0.00869 0.07129 99 4ZZ -0.00400 -0.01708 -0.09213 -0.00719 0.07070 100 4XY -0.00637 -0.05402 0.03011 0.02347 0.03531 101 4XZ -0.06432 -0.00478 0.02229 0.07107 0.00546 102 4YZ 0.01592 -0.01512 0.00660 -0.00040 0.03390 103 13 H 1S 0.50825 -0.05332 0.05890 -0.23801 -0.19776 104 2S -1.05454 -0.35863 -0.10128 0.24326 0.44802 105 14 H 1S 0.22158 -0.23251 0.43751 0.12797 -0.24176 106 2S -0.50204 0.26417 -0.59464 0.23964 0.60258 107 15 C 1S 0.00000 0.00221 0.00000 0.00000 0.03072 108 2S 0.00000 -0.06401 0.00000 0.00000 0.54744 109 2PX 0.00000 0.13800 0.00000 0.00000 0.00645 110 2PY 0.01829 0.00000 -0.11486 0.01182 0.00000 111 2PZ 0.00000 0.00182 0.00000 0.00000 -0.00339 112 3S 0.00000 -0.06990 0.00000 0.00000 -1.11885 113 3PX 0.00000 0.08391 0.00000 0.00000 0.03352 114 3PY -0.12183 -0.00001 0.44937 0.05079 0.00000 115 3PZ 0.00000 0.31993 0.00001 0.00000 -0.07538 116 4XX 0.00000 -0.01130 0.00000 0.00000 -0.00462 117 4YY 0.00000 -0.05704 0.00000 0.00000 0.05955 118 4ZZ 0.00000 0.04847 0.00000 0.00000 0.04993 119 4XY 0.04030 0.00000 0.04890 0.01249 0.00000 120 4XZ 0.00000 0.02221 0.00000 0.00000 -0.00606 121 4YZ -0.02862 0.00000 -0.01799 -0.01849 0.00000 122 16 C 1S 0.00269 -0.01083 -0.00758 -0.01582 0.00961 123 2S -0.10730 0.13798 0.13132 -0.81394 0.22035 124 2PX -0.06104 -0.16646 0.02462 0.07810 -0.09886 125 2PY -0.19487 -0.15640 0.10341 -0.03335 0.02831 126 2PZ 0.04510 -0.26766 -0.05779 0.15583 -0.01251 127 3S 0.20998 -0.52822 -0.06298 2.52076 -0.44922 128 3PX -0.08626 0.23859 0.23134 -0.17174 0.29549 129 3PY 0.48053 0.37851 -0.16710 0.52522 0.13325 130 3PZ -0.86805 0.52105 0.70187 -0.65607 0.06546 131 4XX 0.00886 0.02848 0.01586 -0.03441 -0.02806 132 4YY 0.01794 0.00034 -0.00433 -0.01009 0.03106 133 4ZZ -0.04428 -0.01218 0.01946 -0.05309 0.02125 134 4XY -0.00087 0.05105 0.00014 -0.00127 -0.05775 135 4XZ -0.05261 -0.01033 0.03495 -0.04567 -0.03850 136 4YZ -0.02782 -0.04387 0.02378 -0.00558 0.03674 137 17 C 1S -0.00269 -0.01083 0.00758 0.01582 0.00961 138 2S 0.10730 0.13798 -0.13132 0.81394 0.22035 139 2PX 0.06104 -0.16646 -0.02462 -0.07810 -0.09886 140 2PY -0.19487 0.15641 0.10341 -0.03334 -0.02831 141 2PZ -0.04511 -0.26766 0.05779 -0.15584 -0.01251 142 3S -0.20998 -0.52822 0.06297 -2.52076 -0.44921 143 3PX 0.08626 0.23859 -0.23134 0.17174 0.29549 144 3PY 0.48050 -0.37853 -0.16707 0.52519 -0.13326 145 3PZ 0.86808 0.52104 -0.70188 0.65609 0.06546 146 4XX -0.00886 0.02848 -0.01586 0.03441 -0.02806 147 4YY -0.01794 0.00034 0.00432 0.01009 0.03106 148 4ZZ 0.04428 -0.01218 -0.01946 0.05309 0.02125 149 4XY -0.00087 -0.05105 0.00014 -0.00127 0.05776 150 4XZ 0.05261 -0.01033 -0.03495 0.04567 -0.03850 151 4YZ -0.02782 0.04387 0.02378 -0.00558 -0.03674 152 18 H 1S 0.00000 -0.15620 0.00000 0.00000 0.00056 153 2S 0.00000 0.14021 0.00000 0.00000 0.32616 154 19 H 1S -0.27735 -0.18566 0.14087 -0.02193 0.14023 155 2S -0.01092 0.70129 0.15928 -0.71346 0.12570 156 20 H 1S 0.27735 -0.18566 -0.14087 0.02193 0.14023 157 2S 0.01092 0.70129 -0.15928 0.71346 0.12570 158 21 H 1S 0.00000 0.09060 0.00000 0.00000 0.13885 159 2S 0.00000 -0.37480 0.00000 0.00000 0.10993 160 22 O 1S 0.00954 -0.00331 -0.00861 0.00800 -0.00260 161 2S 0.01610 0.02248 0.14146 0.09462 0.01579 162 2PX -0.13685 0.00524 -0.10107 0.01816 0.06755 163 2PY -0.01932 0.14674 0.11235 -0.05900 -0.12797 164 2PZ 0.04490 0.05078 0.21538 -0.06369 -0.01975 165 3S -0.33805 -0.02731 -0.04998 -0.15620 0.13120 166 3PX 0.38663 0.03445 -0.11442 -0.00540 -0.11018 167 3PY 0.05715 -0.16085 -0.18451 0.08446 0.12163 168 3PZ 0.00674 -0.08078 -0.32895 0.00430 0.05008 169 4XX 0.01960 0.00598 0.07369 0.04059 0.00254 170 4YY 0.03567 0.02168 0.00346 0.06418 -0.00327 171 4ZZ -0.03847 0.00234 0.02748 -0.00578 0.00204 172 4XY 0.01737 -0.00599 -0.00552 0.01220 -0.04040 173 4XZ -0.00830 -0.02935 0.01717 0.04140 0.00382 174 4YZ 0.00036 0.02008 -0.00114 0.02118 -0.01867 175 23 O 1S -0.00954 -0.00331 0.00861 -0.00800 -0.00260 176 2S -0.01610 0.02248 -0.14146 -0.09462 0.01579 177 2PX 0.13685 0.00524 0.10107 -0.01816 0.06755 178 2PY -0.01932 -0.14674 0.11236 -0.05900 0.12797 179 2PZ -0.04490 0.05077 -0.21537 0.06369 -0.01975 180 3S 0.33805 -0.02731 0.04998 0.15620 0.13120 181 3PX -0.38663 0.03446 0.11442 0.00540 -0.11018 182 3PY 0.05715 0.16086 -0.18452 0.08446 -0.12163 183 3PZ -0.00674 -0.08077 0.32895 -0.00430 0.05008 184 4XX -0.01960 0.00598 -0.07369 -0.04059 0.00254 185 4YY -0.03567 0.02168 -0.00346 -0.06418 -0.00327 186 4ZZ 0.03847 0.00234 -0.02748 0.00578 0.00204 187 4XY 0.01737 0.00599 -0.00552 0.01220 0.04040 188 4XZ 0.00830 -0.02935 -0.01717 -0.04140 0.00382 189 4YZ 0.00035 -0.02008 -0.00113 0.02118 0.01867 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02724 1.09208 1.09920 1.11414 1 1 C 1S 0.01109 0.00052 0.01213 -0.02075 -0.01139 2 2S 0.20575 0.22186 -0.11796 -0.82666 0.05679 3 2PX -0.13600 -0.11949 -0.05079 0.03392 -0.00566 4 2PY -0.06597 0.10437 0.05026 0.03937 -0.11169 5 2PZ 0.01929 -0.06911 0.05426 0.10215 -0.05820 6 3S -0.97143 -1.03279 0.34563 2.75148 -0.53094 7 3PX 0.49679 0.72867 -0.16020 -0.40498 0.17690 8 3PY 0.01533 -0.02761 -0.36810 0.61480 0.13552 9 3PZ 0.26053 0.58458 -0.38300 -0.35688 0.16077 10 4XX -0.00484 -0.01554 0.03850 0.02452 -0.01701 11 4YY 0.01068 0.04122 -0.02372 -0.02317 0.02736 12 4ZZ 0.02254 -0.01535 -0.00591 -0.09208 -0.01678 13 4XY 0.00821 -0.00154 -0.00934 0.02557 -0.03091 14 4XZ -0.01037 -0.01610 0.02318 0.01906 -0.03531 15 4YZ 0.00529 0.00433 0.00484 -0.02567 0.05503 16 2 H 1S 0.03656 0.12770 -0.05125 0.10784 -0.09519 17 2S 0.20899 0.00666 -0.25283 -0.29641 0.19271 18 3 C 1S -0.00452 -0.01307 0.00843 0.01558 -0.01726 19 2S -0.29745 -0.43714 0.29754 0.56416 -0.48746 20 2PX 0.02352 0.00573 0.01866 0.08141 -0.10456 21 2PY -0.00011 0.15833 0.03452 0.01729 -0.00853 22 2PZ -0.01076 0.05173 0.01713 0.12160 0.00931 23 3S 1.19560 1.78102 -0.82308 -1.78011 0.98289 24 3PX 0.09729 0.20108 -0.10617 -0.69627 0.27272 25 3PY -0.21668 -0.73863 0.17768 0.14327 -0.16482 26 3PZ 0.23046 0.11090 -0.03050 -0.70167 0.04902 27 4XX 0.00146 0.00944 -0.00590 -0.00591 -0.04629 28 4YY -0.00557 -0.04089 0.00469 0.09245 -0.05716 29 4ZZ -0.02816 -0.03222 0.03391 -0.01840 0.05683 30 4XY -0.00585 -0.01964 0.00347 0.08273 -0.01810 31 4XZ -0.00394 -0.00935 0.01783 0.01967 -0.02808 32 4YZ -0.01053 -0.04164 0.00545 -0.01702 0.01907 33 4 H 1S -0.03480 -0.04339 0.08733 -0.10263 -0.02508 34 2S -0.14771 -0.35013 0.09979 -0.10682 -0.16502 35 5 C 1S 0.00452 -0.01307 -0.00843 0.01558 -0.01726 36 2S 0.29745 -0.43714 -0.29753 0.56416 -0.48746 37 2PX -0.02352 0.00573 -0.01866 0.08141 -0.10456 38 2PY -0.00011 -0.15833 0.03452 -0.01730 0.00853 39 2PZ 0.01076 0.05172 -0.01712 0.12160 0.00931 40 3S -1.19561 1.78100 0.82306 -1.78011 0.98288 41 3PX -0.09729 0.20109 0.10617 -0.69627 0.27272 42 3PY -0.21668 0.73863 0.17768 -0.14325 0.16482 43 3PZ -0.23047 0.11094 0.03050 -0.70168 0.04903 44 4XX -0.00146 0.00944 0.00590 -0.00591 -0.04629 45 4YY 0.00557 -0.04089 -0.00469 0.09245 -0.05716 46 4ZZ 0.02816 -0.03222 -0.03391 -0.01840 0.05683 47 4XY -0.00585 0.01964 0.00347 -0.08273 0.01810 48 4XZ 0.00394 -0.00935 -0.01783 0.01967 -0.02808 49 4YZ -0.01053 0.04164 0.00545 0.01703 -0.01908 50 6 H 1S 0.03480 -0.04339 -0.08733 -0.10263 -0.02508 51 2S 0.14771 -0.35013 -0.09979 -0.10682 -0.16502 52 7 C 1S -0.01109 0.00052 -0.01213 -0.02075 -0.01139 53 2S -0.20575 0.22186 0.11795 -0.82667 0.05679 54 2PX 0.13601 -0.11949 0.05079 0.03392 -0.00566 55 2PY -0.06597 -0.10437 0.05027 -0.03937 0.11169 56 2PZ -0.01929 -0.06911 -0.05426 0.10215 -0.05820 57 3S 0.97144 -1.03280 -0.34560 2.75149 -0.53093 58 3PX -0.49680 0.72867 0.16019 -0.40499 0.17690 59 3PY 0.01534 0.02758 -0.36813 -0.61478 -0.13553 60 3PZ -0.26054 0.58458 0.38298 -0.35690 0.16076 61 4XX 0.00484 -0.01554 -0.03850 0.02452 -0.01701 62 4YY -0.01069 0.04122 0.02372 -0.02317 0.02737 63 4ZZ -0.02254 -0.01535 0.00591 -0.09207 -0.01678 64 4XY 0.00821 0.00154 -0.00934 -0.02557 0.03091 65 4XZ 0.01037 -0.01610 -0.02318 0.01906 -0.03531 66 4YZ 0.00529 -0.00433 0.00484 0.02567 -0.05503 67 8 H 1S -0.03656 0.12770 0.05125 0.10784 -0.09519 68 2S -0.20899 0.00666 0.25282 -0.29642 0.19271 69 9 C 1S 0.00742 0.00466 -0.01167 0.00040 -0.01168 70 2S 0.10488 -0.35511 0.24800 -0.10973 -0.32102 71 2PX -0.06236 -0.01801 0.07798 0.16479 -0.13877 72 2PY -0.06497 0.23730 -0.11577 0.08628 0.03000 73 2PZ 0.05831 -0.26276 0.10660 -0.06447 -0.03512 74 3S -0.35426 0.97378 -0.33765 0.07213 0.77666 75 3PX -0.04624 0.02518 -0.45749 -0.24331 0.42644 76 3PY 0.19436 -0.39313 0.34362 -0.18788 -0.19190 77 3PZ -0.15292 0.59315 -0.32311 0.51764 0.12848 78 4XX 0.01652 0.01517 -0.02902 -0.01048 -0.01836 79 4YY 0.00418 -0.03535 0.02046 -0.00065 -0.04196 80 4ZZ 0.00477 -0.02501 0.03152 -0.00571 0.00572 81 4XY -0.01184 -0.11388 0.01238 -0.09027 -0.03026 82 4XZ 0.01821 0.01733 -0.02201 -0.02385 0.05804 83 4YZ 0.00533 -0.01916 0.02011 -0.04158 -0.05642 84 10 H 1S -0.06509 0.07295 -0.17694 -0.05066 -0.00834 85 2S 0.28556 -0.46905 0.23003 -0.38040 -0.01450 86 11 H 1S 0.07030 0.43234 -0.29347 0.14168 0.09253 87 2S 0.09410 -1.12722 0.88191 -0.22938 -0.75495 88 12 C 1S -0.00742 0.00466 0.01167 0.00040 -0.01168 89 2S -0.10487 -0.35511 -0.24800 -0.10973 -0.32102 90 2PX 0.06236 -0.01801 -0.07798 0.16479 -0.13877 91 2PY -0.06496 -0.23729 -0.11577 -0.08628 -0.03000 92 2PZ -0.05831 -0.26277 -0.10661 -0.06447 -0.03512 93 3S 0.35425 0.97378 0.33765 0.07213 0.77667 94 3PX 0.04624 0.02518 0.45748 -0.24331 0.42644 95 3PY 0.19435 0.39311 0.34361 0.18786 0.19190 96 3PZ 0.15292 0.59316 0.32313 0.51764 0.12849 97 4XX -0.01652 0.01517 0.02902 -0.01048 -0.01836 98 4YY -0.00418 -0.03535 -0.02047 -0.00065 -0.04196 99 4ZZ -0.00477 -0.02501 -0.03152 -0.00570 0.00572 100 4XY -0.01184 0.11388 0.01238 0.09028 0.03026 101 4XZ -0.01821 0.01733 0.02201 -0.02384 0.05804 102 4YZ 0.00533 0.01916 0.02011 0.04158 0.05642 103 13 H 1S 0.06509 0.07295 0.17694 -0.05066 -0.00834 104 2S -0.28555 -0.46905 -0.23003 -0.38040 -0.01450 105 14 H 1S -0.07030 0.43234 0.29347 0.14168 0.09253 106 2S -0.09409 -1.12722 -0.88191 -0.22937 -0.75496 107 15 C 1S 0.00000 -0.00092 0.00000 0.02842 -0.03479 108 2S 0.00000 0.28488 0.00000 0.55397 -0.49368 109 2PX 0.00000 0.33915 0.00000 0.10081 -0.03317 110 2PY -0.25328 0.00000 0.00513 0.00000 0.00000 111 2PZ -0.00001 0.09403 0.00000 -0.02669 0.02144 112 3S 0.00000 -0.94799 -0.00001 -1.65162 0.76637 113 3PX 0.00000 -1.00432 0.00000 -0.29845 0.20766 114 3PY 0.75515 0.00001 0.36897 0.00000 0.00001 115 3PZ 0.00002 -0.17276 0.00001 -0.32313 -0.47149 116 4XX 0.00000 0.12183 0.00000 0.01971 -0.10749 117 4YY 0.00000 0.04730 0.00000 0.02849 0.00338 118 4ZZ 0.00000 -0.11852 0.00000 0.01457 -0.03351 119 4XY 0.00344 0.00000 -0.14951 0.00000 0.00000 120 4XZ 0.00000 0.04082 0.00000 -0.05198 -0.15567 121 4YZ 0.10160 0.00000 0.05825 0.00000 0.00000 122 16 C 1S 0.01055 -0.00075 0.00464 0.00903 0.01456 123 2S -0.10624 0.04447 -0.08644 -0.21100 0.32885 124 2PX 0.18610 -0.06362 0.06182 0.13919 -0.16816 125 2PY -0.18764 -0.06820 0.01286 -0.00796 0.05672 126 2PZ 0.04732 -0.09599 -0.13368 0.01314 0.05951 127 3S 1.28403 -0.24481 0.37748 0.44935 -0.04584 128 3PX -0.36660 0.04005 0.16549 0.21843 0.43587 129 3PY 1.23308 0.18472 0.21593 0.03855 -0.33712 130 3PZ 0.10730 0.17247 1.10041 0.11939 -0.13295 131 4XX 0.01129 0.00967 -0.04105 0.05139 -0.02851 132 4YY 0.01929 -0.00773 0.00394 -0.05472 0.04720 133 4ZZ 0.02236 0.00411 0.05028 0.04401 0.02868 134 4XY 0.00689 -0.01587 0.01312 0.01726 -0.01438 135 4XZ 0.07234 0.01511 0.01461 -0.01270 0.00874 136 4YZ 0.00020 0.04935 0.00215 -0.05333 -0.08907 137 17 C 1S -0.01055 -0.00075 -0.00464 0.00903 0.01455 138 2S 0.10624 0.04447 0.08644 -0.21100 0.32885 139 2PX -0.18610 -0.06362 -0.06182 0.13919 -0.16816 140 2PY -0.18764 0.06820 0.01286 0.00796 -0.05672 141 2PZ -0.04732 -0.09599 0.13368 0.01314 0.05950 142 3S -1.28403 -0.24482 -0.37747 0.44935 -0.04584 143 3PX 0.36660 0.04006 -0.16549 0.21843 0.43587 144 3PY 1.23308 -0.18472 0.21597 -0.03855 0.33712 145 3PZ -0.10725 0.17247 -1.10040 0.11940 -0.13294 146 4XX -0.01129 0.00967 0.04105 0.05139 -0.02851 147 4YY -0.01929 -0.00772 -0.00394 -0.05472 0.04719 148 4ZZ -0.02236 0.00410 -0.05028 0.04401 0.02868 149 4XY 0.00690 0.01587 0.01312 -0.01726 0.01438 150 4XZ -0.07234 0.01511 -0.01461 -0.01270 0.00874 151 4YZ 0.00020 -0.04935 0.00216 0.05332 0.08907 152 18 H 1S 0.00000 0.03441 0.00000 0.10102 -0.05016 153 2S 0.00000 0.62714 0.00000 0.47170 -0.32669 154 19 H 1S 0.07752 -0.00129 0.24503 0.08689 -0.02620 155 2S 0.14391 0.16900 0.29770 -0.04613 -0.02372 156 20 H 1S -0.07752 -0.00129 -0.24503 0.08690 -0.02620 157 2S -0.14391 0.16900 -0.29770 -0.04612 -0.02372 158 21 H 1S 0.00000 -0.47958 0.00000 0.10583 -0.03824 159 2S 0.00000 1.02164 0.00000 0.55935 0.19921 160 22 O 1S 0.00630 -0.00082 0.00159 0.00674 0.01302 161 2S 0.45995 -0.12934 -0.00510 0.07665 0.21741 162 2PX 0.26734 -0.05529 0.34317 -0.03169 0.07813 163 2PY 0.37357 -0.06692 -0.25221 -0.11471 0.13224 164 2PZ -0.03922 0.06650 -0.26343 -0.31445 -0.41606 165 3S -1.13271 0.11723 0.18449 -0.24528 -0.75809 166 3PX -0.45549 0.15906 -0.71567 0.24809 -0.11855 167 3PY -0.65944 0.21087 0.38829 0.20310 -0.16320 168 3PZ 0.00450 -0.18377 0.30374 0.61917 0.73048 169 4XX 0.12945 -0.07383 -0.09944 0.01251 0.14772 170 4YY 0.09193 -0.03566 0.04624 0.03108 -0.03212 171 4ZZ 0.21128 -0.01686 0.04745 0.00726 0.08801 172 4XY -0.01516 0.05139 0.01392 -0.00630 -0.04811 173 4XZ 0.00424 -0.00416 0.06624 0.02076 0.00927 174 4YZ -0.01379 -0.04621 0.00123 0.01450 0.02438 175 23 O 1S -0.00630 -0.00082 -0.00159 0.00674 0.01302 176 2S -0.45995 -0.12935 0.00510 0.07666 0.21741 177 2PX -0.26734 -0.05530 -0.34317 -0.03168 0.07813 178 2PY 0.37357 0.06692 -0.25222 0.11472 -0.13222 179 2PZ 0.03924 0.06651 0.26342 -0.31445 -0.41607 180 3S 1.13271 0.11724 -0.18450 -0.24528 -0.75809 181 3PX 0.45549 0.15907 0.71567 0.24808 -0.11855 182 3PY -0.65944 -0.21086 0.38830 -0.20313 0.16317 183 3PZ -0.00452 -0.18378 -0.30372 0.61917 0.73049 184 4XX -0.12945 -0.07383 0.09944 0.01251 0.14772 185 4YY -0.09193 -0.03566 -0.04624 0.03108 -0.03212 186 4ZZ -0.21128 -0.01686 -0.04745 0.00726 0.08800 187 4XY -0.01516 -0.05139 0.01392 0.00630 0.04811 188 4XZ -0.00424 -0.00416 -0.06624 0.02076 0.00927 189 4YZ -0.01379 0.04621 0.00123 -0.01450 -0.02438 111 112 113 114 115 V V V V V Eigenvalues -- 1.14919 1.15187 1.18946 1.20406 1.25129 1 1 C 1S 0.00786 -0.00318 0.00508 0.02079 0.00099 2 2S -0.40019 -0.27258 0.07670 0.20123 0.26943 3 2PX 0.03893 -0.16541 -0.02926 0.02836 -0.02098 4 2PY -0.29283 0.05614 0.10076 -0.33598 0.05173 5 2PZ 0.14137 -0.01242 0.08614 -0.02017 -0.06980 6 3S -0.28246 0.38119 -0.77923 -1.58190 -0.88744 7 3PX 0.01207 0.43412 -0.17041 -0.24590 0.56068 8 3PY 0.60813 -0.03725 -0.87167 1.77643 -0.14158 9 3PZ -0.63084 0.26681 -0.95549 0.38351 0.33211 10 4XX 0.02629 0.03273 -0.05385 -0.00352 -0.04307 11 4YY -0.02242 -0.01588 -0.01819 0.13683 -0.00394 12 4ZZ -0.02468 -0.04201 0.06166 -0.08049 0.04666 13 4XY -0.04112 -0.01492 -0.01869 0.05779 -0.05128 14 4XZ -0.10571 -0.00350 0.00813 -0.01908 -0.02178 15 4YZ 0.03878 -0.01701 -0.00908 0.02210 0.07804 16 2 H 1S 0.09839 0.04708 -0.13583 0.54263 0.05619 17 2S 0.29797 -0.20125 -0.30651 0.82783 0.06706 18 3 C 1S -0.00257 -0.00064 -0.00168 -0.00951 -0.04030 19 2S -0.01234 -0.04096 -0.18485 -0.35371 -0.90580 20 2PX -0.00660 0.01633 0.00058 -0.08112 -0.03392 21 2PY -0.05892 0.07535 -0.04402 -0.07626 -0.00014 22 2PZ -0.05686 0.02485 0.05181 -0.11863 0.15854 23 3S -0.39189 0.43624 0.02565 -0.07392 3.44749 24 3PX 0.62437 -0.04840 0.10610 0.45836 -0.04317 25 3PY 0.22532 -0.32242 0.42595 -0.85451 0.19742 26 3PZ 1.03984 -0.08452 0.14545 0.27900 -0.77037 27 4XX -0.05803 -0.02318 -0.00626 -0.02532 -0.04051 28 4YY 0.00412 0.00953 -0.02822 -0.01240 -0.01613 29 4ZZ 0.06672 0.00581 0.02307 -0.00044 -0.03168 30 4XY 0.03513 0.01173 -0.11165 0.02840 -0.06144 31 4XZ -0.01243 0.00407 0.00682 -0.05165 -0.07664 32 4YZ 0.05349 -0.04260 0.12676 -0.00010 -0.01153 33 4 H 1S 0.39924 -0.07302 0.14159 -0.05174 -0.37782 34 2S 0.39251 -0.13781 -0.02447 0.02726 -0.65757 35 5 C 1S 0.00257 -0.00064 -0.00168 0.00951 0.04030 36 2S 0.01234 -0.04096 -0.18485 0.35371 0.90580 37 2PX 0.00660 0.01633 0.00058 0.08112 0.03392 38 2PY -0.05892 -0.07535 0.04401 -0.07626 -0.00013 39 2PZ 0.05686 0.02485 0.05181 0.11863 -0.15854 40 3S 0.39191 0.43623 0.02565 0.07392 -3.44749 41 3PX -0.62437 -0.04839 0.10611 -0.45836 0.04317 42 3PY 0.22537 0.32243 -0.42595 -0.85451 0.19739 43 3PZ -1.03983 -0.08448 0.14543 -0.27903 0.77038 44 4XX 0.05803 -0.02318 -0.00626 0.02532 0.04051 45 4YY -0.00412 0.00952 -0.02822 0.01240 0.01613 46 4ZZ -0.06672 0.00582 0.02306 0.00044 0.03167 47 4XY 0.03513 -0.01173 0.11165 0.02840 -0.06144 48 4XZ 0.01243 0.00407 0.00682 0.05165 0.07664 49 4YZ 0.05349 0.04260 -0.12677 -0.00010 -0.01153 50 6 H 1S -0.39924 -0.07301 0.14159 0.05175 0.37782 51 2S -0.39251 -0.13780 -0.02447 -0.02726 0.65757 52 7 C 1S -0.00786 -0.00318 0.00508 -0.02079 -0.00099 53 2S 0.40019 -0.27259 0.07670 -0.20123 -0.26943 54 2PX -0.03894 -0.16541 -0.02926 -0.02836 0.02098 55 2PY -0.29282 -0.05613 -0.10076 -0.33598 0.05173 56 2PZ -0.14138 -0.01242 0.08614 0.02016 0.06981 57 3S 0.28246 0.38117 -0.77924 1.58189 0.88744 58 3PX -0.01206 0.43412 -0.17041 0.24590 -0.56068 59 3PY 0.60810 0.03723 0.87169 1.77646 -0.14157 60 3PZ 0.63087 0.26680 -0.95545 -0.38345 -0.33211 61 4XX -0.02629 0.03273 -0.05385 0.00352 0.04307 62 4YY 0.02241 -0.01588 -0.01819 -0.13683 0.00393 63 4ZZ 0.02469 -0.04201 0.06166 0.08049 -0.04665 64 4XY -0.04112 0.01492 0.01869 0.05779 -0.05128 65 4XZ 0.10571 -0.00350 0.00813 0.01908 0.02178 66 4YZ 0.03878 0.01701 0.00908 0.02209 0.07804 67 8 H 1S -0.09839 0.04708 -0.13582 -0.54263 -0.05619 68 2S -0.29797 -0.20124 -0.30650 -0.82784 -0.06706 69 9 C 1S -0.02841 -0.00262 -0.03867 0.01356 -0.01251 70 2S -0.38610 -0.05501 -0.80682 0.18767 -0.28716 71 2PX 0.08574 -0.01462 -0.11806 -0.00197 0.15112 72 2PY 0.01177 -0.04198 -0.04725 -0.04692 0.01426 73 2PZ -0.12782 0.10682 0.03617 0.16542 -0.03507 74 3S 1.27762 -0.35224 2.26080 -1.55348 0.91965 75 3PX -0.42652 -0.06761 0.04987 0.38289 -0.81661 76 3PY -0.53914 0.16577 -0.29996 -1.06517 0.24207 77 3PZ 0.56732 -0.04986 -0.52377 -0.43545 0.39221 78 4XX 0.01105 0.00147 0.00532 -0.00944 0.00450 79 4YY -0.01727 0.01412 -0.07310 -0.01426 -0.01316 80 4ZZ -0.05094 -0.02492 -0.05726 0.03761 -0.02264 81 4XY -0.00172 -0.00969 0.06090 -0.00514 -0.00755 82 4XZ 0.06508 -0.04526 -0.00090 -0.04329 0.09959 83 4YZ -0.03500 -0.00096 0.08693 -0.06298 -0.00481 84 10 H 1S -0.25515 -0.04425 -0.13640 0.08317 -0.18549 85 2S -0.49802 0.06687 -0.13533 0.21021 -0.35724 86 11 H 1S 0.00116 -0.08632 -0.10653 -0.14368 0.08679 87 2S -0.46205 0.24041 -0.36888 0.08298 -0.02836 88 12 C 1S 0.02841 -0.00262 -0.03867 -0.01356 0.01251 89 2S 0.38609 -0.05501 -0.80682 -0.18768 0.28717 90 2PX -0.08574 -0.01462 -0.11806 0.00197 -0.15112 91 2PY 0.01176 0.04198 0.04725 -0.04691 0.01425 92 2PZ 0.12782 0.10682 0.03618 -0.16542 0.03507 93 3S -1.27762 -0.35223 2.26078 1.55350 -0.91966 94 3PX 0.42652 -0.06762 0.04987 -0.38289 0.81662 95 3PY -0.53912 -0.16576 0.29999 -1.06519 0.24208 96 3PZ -0.56734 -0.04986 -0.52376 0.43540 -0.39220 97 4XX -0.01105 0.00147 0.00532 0.00944 -0.00450 98 4YY 0.01728 0.01412 -0.07310 0.01427 0.01316 99 4ZZ 0.05093 -0.02492 -0.05726 -0.03761 0.02264 100 4XY -0.00172 0.00969 -0.06090 -0.00514 -0.00755 101 4XZ -0.06508 -0.04526 -0.00090 0.04329 -0.09959 102 4YZ -0.03500 0.00096 -0.08693 -0.06297 -0.00481 103 13 H 1S 0.25515 -0.04426 -0.13640 -0.08317 0.18550 104 2S 0.49802 0.06686 -0.13533 -0.21022 0.35724 105 14 H 1S -0.00116 -0.08632 -0.10653 0.14368 -0.08679 106 2S 0.46205 0.24040 -0.36888 -0.08298 0.02836 107 15 C 1S 0.00000 -0.02222 0.04281 0.00000 0.00000 108 2S 0.00000 -0.30591 0.74471 0.00000 0.00000 109 2PX 0.00000 -0.06288 -0.29019 0.00000 0.00000 110 2PY 0.03742 0.00000 0.00000 0.00608 0.05645 111 2PZ 0.00000 -0.17970 -0.02055 0.00000 0.00000 112 3S 0.00001 0.52478 -1.16671 0.00000 -0.00001 113 3PX 0.00000 -0.47165 0.39212 0.00000 0.00000 114 3PY 0.44389 -0.00002 0.00001 -0.60856 0.11056 115 3PZ 0.00001 0.72124 -0.41103 -0.00001 0.00000 116 4XX 0.00000 -0.00503 -0.00723 0.00000 0.00000 117 4YY 0.00000 0.04369 0.11024 0.00000 0.00000 118 4ZZ 0.00000 -0.15104 0.01036 0.00000 0.00000 119 4XY -0.00361 0.00000 0.00000 0.01961 -0.07458 120 4XZ 0.00000 -0.20510 0.00422 0.00000 0.00000 121 4YZ -0.07041 0.00000 0.00000 0.06270 0.01597 122 16 C 1S -0.00048 0.02009 -0.00439 -0.00221 0.00740 123 2S -0.58326 0.13795 0.00675 -0.10221 0.25519 124 2PX 0.10248 0.04495 0.03918 0.09911 -0.16312 125 2PY -0.09995 0.07452 -0.06238 0.13996 0.04375 126 2PZ -0.10563 0.14717 0.11880 -0.07882 -0.13906 127 3S 2.40142 0.24818 0.10705 -0.94594 -0.57682 128 3PX 0.78355 0.10141 0.27615 -0.81592 1.00069 129 3PY 1.00196 -0.31986 0.36096 -0.65103 -0.10686 130 3PZ 0.95091 -0.09007 0.12057 -0.13874 1.11266 131 4XX 0.01185 0.09077 -0.08423 -0.02725 -0.08943 132 4YY 0.00068 0.00651 -0.02579 -0.00738 0.00790 133 4ZZ 0.01228 -0.04732 0.10287 -0.02354 0.11842 134 4XY 0.00288 -0.10459 -0.12490 -0.01383 -0.00737 135 4XZ -0.01115 -0.03153 -0.02072 -0.05655 0.02438 136 4YZ 0.00624 0.00932 0.02987 0.01878 0.03740 137 17 C 1S 0.00048 0.02009 -0.00439 0.00221 -0.00740 138 2S 0.58326 0.13793 0.00675 0.10221 -0.25519 139 2PX -0.10248 0.04496 0.03918 -0.09911 0.16312 140 2PY -0.09996 -0.07452 0.06237 0.13996 0.04374 141 2PZ 0.10563 0.14717 0.11880 0.07883 0.13906 142 3S -2.40142 0.24822 0.10704 0.94594 0.57682 143 3PX -0.78355 0.10142 0.27614 0.81592 -1.00069 144 3PY 1.00201 0.31985 -0.36096 -0.65103 -0.10682 145 3PZ -0.95087 -0.09004 0.12055 0.13871 -1.11266 146 4XX -0.01185 0.09077 -0.08423 0.02725 0.08943 147 4YY -0.00068 0.00651 -0.02579 0.00737 -0.00790 148 4ZZ -0.01228 -0.04732 0.10287 0.02354 -0.11842 149 4XY 0.00288 0.10459 0.12490 -0.01384 -0.00737 150 4XZ 0.01115 -0.03153 -0.02072 0.05655 -0.02438 151 4YZ 0.00624 -0.00932 -0.02988 0.01878 0.03741 152 18 H 1S 0.00000 0.23488 0.17262 0.00000 0.00000 153 2S 0.00000 -0.03988 -0.11354 0.00000 0.00000 154 19 H 1S 0.19136 0.04902 0.24748 -0.01472 0.33499 155 2S 0.19977 -0.18494 -0.10069 -0.16692 0.34001 156 20 H 1S -0.19136 0.04903 0.24748 0.01472 -0.33499 157 2S -0.19977 -0.18494 -0.10069 0.16691 -0.34001 158 21 H 1S 0.00000 -0.03250 0.16193 0.00000 0.00000 159 2S -0.00001 -0.59696 0.58170 0.00000 0.00000 160 22 O 1S -0.00269 0.01389 0.01444 0.00266 -0.00396 161 2S 0.06936 0.27713 0.18831 0.02842 -0.01543 162 2PX 0.01716 -0.42867 -0.05314 -0.14105 -0.02065 163 2PY -0.03289 0.16094 -0.23465 -0.02803 -0.10516 164 2PZ 0.25404 0.11318 0.00024 -0.24990 0.09654 165 3S 0.37843 -0.66794 -0.37367 -0.15500 0.48049 166 3PX -0.38045 0.80386 0.10589 0.46114 -0.17371 167 3PY -0.01430 -0.27311 0.48024 0.08502 0.17061 168 3PZ -0.59735 -0.13618 0.11906 0.65418 -0.22172 169 4XX 0.03598 0.09333 0.09070 -0.00384 -0.08651 170 4YY 0.04313 -0.04860 0.04923 0.00813 0.01468 171 4ZZ -0.01532 0.20005 0.00756 0.00427 0.05320 172 4XY 0.00151 0.01899 -0.01811 0.03715 0.00457 173 4XZ 0.05751 0.05031 0.05262 0.02287 0.06195 174 4YZ -0.00739 -0.05376 -0.06411 0.03455 0.00272 175 23 O 1S 0.00269 0.01389 0.01444 -0.00266 0.00396 176 2S -0.06935 0.27714 0.18831 -0.02841 0.01543 177 2PX -0.01716 -0.42867 -0.05314 0.14104 0.02065 178 2PY -0.03289 -0.16094 0.23465 -0.02804 -0.10516 179 2PZ -0.25404 0.11317 0.00025 0.24990 -0.09654 180 3S -0.37844 -0.66794 -0.37367 0.15500 -0.48049 181 3PX 0.38047 0.80386 0.10589 -0.46114 0.17371 182 3PY -0.01432 0.27311 -0.48024 0.08504 0.17060 183 3PZ 0.59735 -0.13617 0.11904 -0.65418 0.22173 184 4XX -0.03598 0.09333 0.09070 0.00384 0.08651 185 4YY -0.04313 -0.04860 0.04922 -0.00813 -0.01467 186 4ZZ 0.01532 0.20005 0.00757 -0.00427 -0.05320 187 4XY 0.00151 -0.01899 0.01811 0.03715 0.00457 188 4XZ -0.05751 0.05031 0.05262 -0.02287 -0.06195 189 4YZ -0.00739 0.05375 0.06411 0.03455 0.00272 116 117 118 119 120 V V V V V Eigenvalues -- 1.26438 1.36726 1.37046 1.39832 1.42703 1 1 C 1S 0.02392 -0.00358 0.00680 0.03049 -0.00199 2 2S 0.22078 -0.04076 0.01120 0.38682 -0.13134 3 2PX 0.09516 0.00153 -0.04874 0.08862 -0.04657 4 2PY -0.00774 -0.08481 0.06382 0.07741 -0.07143 5 2PZ 0.03997 0.00427 0.04316 0.00875 -0.01690 6 3S -0.72301 -0.19882 0.47764 -1.03676 1.48666 7 3PX -0.49241 -0.09125 0.14372 -0.30318 -0.17447 8 3PY 0.42631 0.06688 -0.29138 -0.47582 1.33035 9 3PZ -0.58839 -0.42141 -0.46354 -0.25034 0.27830 10 4XX -0.00536 0.08798 -0.09580 0.19334 -0.03485 11 4YY 0.06299 0.05496 -0.02952 -0.05791 0.06509 12 4ZZ -0.04324 -0.15719 0.12100 -0.07240 0.00194 13 4XY 0.00115 -0.05294 -0.03346 -0.04489 0.05938 14 4XZ 0.07337 0.05165 -0.01905 -0.00070 -0.01861 15 4YZ 0.00019 0.09275 -0.07982 0.16045 -0.08186 16 2 H 1S 0.24038 -0.07986 -0.12280 0.04810 0.16431 17 2S 0.14700 0.05386 -0.12045 -0.05598 0.33933 18 3 C 1S 0.01227 0.00327 0.02934 -0.00468 0.01971 19 2S 0.34844 0.08645 0.56178 -0.12318 0.40197 20 2PX 0.10634 0.06344 0.03727 0.02798 0.00539 21 2PY 0.08208 0.00686 -0.01953 -0.06954 -0.02613 22 2PZ 0.10521 0.03889 0.07486 -0.05099 0.09509 23 3S -0.62713 -0.21195 -1.90852 0.03510 -2.71360 24 3PX -0.43453 -0.22861 -0.59652 0.29046 -0.89815 25 3PY -0.20121 -0.02399 -0.41215 0.41385 -1.27121 26 3PZ -0.40483 -0.17279 -0.25748 0.39860 -1.29774 27 4XX -0.00587 -0.15178 0.12143 -0.19839 0.08177 28 4YY 0.06995 0.04890 0.00223 -0.04167 -0.00143 29 4ZZ -0.05185 0.09874 -0.07755 0.22900 -0.07055 30 4XY -0.00325 0.04171 -0.00472 0.02389 0.01590 31 4XZ 0.04866 0.05834 0.05477 -0.06702 -0.00705 32 4YZ -0.01380 -0.05322 0.02857 -0.11100 -0.01238 33 4 H 1S -0.06928 -0.04134 0.01236 0.19129 -0.23532 34 2S -0.22114 -0.14767 -0.04670 0.24158 -0.43630 35 5 C 1S 0.01227 0.00327 -0.02934 -0.00468 -0.01971 36 2S 0.34844 0.08645 -0.56178 -0.12318 -0.40197 37 2PX 0.10634 0.06344 -0.03727 0.02798 -0.00539 38 2PY -0.08209 -0.00686 -0.01953 0.06954 -0.02612 39 2PZ 0.10520 0.03889 -0.07486 -0.05099 -0.09509 40 3S -0.62715 -0.21197 1.90852 0.03510 2.71360 41 3PX -0.43453 -0.22861 0.59652 0.29046 0.89815 42 3PY 0.20123 0.02400 -0.41215 -0.41386 -1.27126 43 3PZ -0.40482 -0.17278 0.25747 0.39858 1.29769 44 4XX -0.00587 -0.15178 -0.12143 -0.19839 -0.08177 45 4YY 0.06995 0.04889 -0.00223 -0.04168 0.00143 46 4ZZ -0.05185 0.09875 0.07755 0.22901 0.07055 47 4XY 0.00325 -0.04171 -0.00472 -0.02388 0.01590 48 4XZ 0.04866 0.05834 -0.05477 -0.06702 0.00705 49 4YZ 0.01381 0.05322 0.02856 0.11099 -0.01238 50 6 H 1S -0.06928 -0.04133 -0.01237 0.19129 0.23532 51 2S -0.22114 -0.14767 0.04670 0.24158 0.43629 52 7 C 1S 0.02392 -0.00358 -0.00680 0.03049 0.00199 53 2S 0.22078 -0.04076 -0.01120 0.38682 0.13134 54 2PX 0.09516 0.00153 0.04874 0.08862 0.04657 55 2PY 0.00774 0.08481 0.06382 -0.07741 -0.07143 56 2PZ 0.03997 0.00427 -0.04316 0.00875 0.01689 57 3S -0.72301 -0.19882 -0.47765 -1.03676 -1.48666 58 3PX -0.49242 -0.09124 -0.14371 -0.30318 0.17448 59 3PY -0.42629 -0.06686 -0.29141 0.47582 1.33036 60 3PZ -0.58841 -0.42141 0.46353 -0.25032 -0.27825 61 4XX -0.00536 0.08798 0.09580 0.19334 0.03485 62 4YY 0.06299 0.05497 0.02952 -0.05790 -0.06508 63 4ZZ -0.04324 -0.15720 -0.12101 -0.07241 -0.00194 64 4XY -0.00115 0.05294 -0.03346 0.04489 0.05938 65 4XZ 0.07337 0.05166 0.01905 -0.00070 0.01861 66 4YZ -0.00018 -0.09274 -0.07981 -0.16044 -0.08186 67 8 H 1S 0.24038 -0.07986 0.12280 0.04810 -0.16431 68 2S 0.14700 0.05386 0.12045 -0.05598 -0.33933 69 9 C 1S -0.04202 -0.03924 -0.02434 0.00601 0.02050 70 2S -0.63840 -0.61954 -0.27400 0.37917 0.22957 71 2PX 0.18527 -0.11429 0.14704 -0.00641 0.08325 72 2PY 0.01363 -0.10163 0.05219 0.06503 -0.01095 73 2PZ 0.00056 0.20119 -0.08271 -0.15537 0.03369 74 3S 1.87482 1.34533 1.31499 0.00664 -1.58446 75 3PX -0.37822 0.22829 -0.85200 -0.05290 -0.28350 76 3PY -0.53884 -0.18628 0.30568 -0.18200 -0.32681 77 3PZ -0.11630 -0.40838 0.29583 -0.02067 0.36246 78 4XX -0.07911 -0.08721 0.02649 -0.07008 0.05194 79 4YY -0.04830 -0.05724 0.01104 0.00785 -0.00258 80 4ZZ 0.01806 0.07238 -0.07499 0.09488 -0.03743 81 4XY -0.09059 -0.07409 0.04411 -0.07259 0.02522 82 4XZ -0.00970 -0.00425 0.08844 0.00112 0.00857 83 4YZ 0.01382 -0.13572 0.04111 -0.00570 -0.02386 84 10 H 1S -0.17103 -0.21642 -0.17261 0.02049 0.00124 85 2S -0.47086 0.11149 -0.39324 0.00470 -0.05608 86 11 H 1S -0.15627 -0.17612 0.07099 -0.03534 0.13018 87 2S -0.12896 -0.30982 0.06197 0.14642 0.17673 88 12 C 1S -0.04202 -0.03924 0.02434 0.00601 -0.02050 89 2S -0.63840 -0.61955 0.27399 0.37918 -0.22957 90 2PX 0.18527 -0.11429 -0.14704 -0.00641 -0.08325 91 2PY -0.01363 0.10162 0.05219 -0.06502 -0.01095 92 2PZ 0.00056 0.20119 0.08271 -0.15537 -0.03369 93 3S 1.87481 1.34534 -1.31498 0.00663 1.58446 94 3PX -0.37821 0.22829 0.85200 -0.05290 0.28350 95 3PY 0.53885 0.18630 0.30569 0.18201 -0.32679 96 3PZ -0.11628 -0.40837 -0.29582 -0.02066 -0.36247 97 4XX -0.07911 -0.08721 -0.02649 -0.07008 -0.05194 98 4YY -0.04830 -0.05725 -0.01104 0.00785 0.00258 99 4ZZ 0.01806 0.07239 0.07499 0.09488 0.03742 100 4XY 0.09059 0.07409 0.04411 0.07259 0.02521 101 4XZ -0.00970 -0.00425 -0.08844 0.00112 -0.00857 102 4YZ -0.01382 0.13572 0.04111 0.00570 -0.02386 103 13 H 1S -0.17102 -0.21642 0.17261 0.02049 -0.00124 104 2S -0.47086 0.11148 0.39325 0.00470 0.05608 105 14 H 1S -0.15627 -0.17612 -0.07099 -0.03534 -0.13018 106 2S -0.12896 -0.30982 -0.06197 0.14642 -0.17673 107 15 C 1S -0.05236 -0.00938 0.00000 0.02836 0.00000 108 2S -0.82045 0.04652 0.00000 0.32653 0.00000 109 2PX -0.05163 0.02870 0.00000 -0.04113 0.00000 110 2PY 0.00000 0.00000 -0.17746 0.00000 0.06158 111 2PZ 0.00186 0.03014 0.00000 0.01052 0.00000 112 3S 2.59783 -0.03930 0.00000 -1.08389 0.00000 113 3PX 0.02737 -0.30926 0.00000 0.26542 0.00000 114 3PY 0.00001 0.00000 -0.98892 0.00000 0.27154 115 3PZ -0.30549 0.12314 -0.00002 0.05740 0.00001 116 4XX -0.08368 0.07466 0.00000 0.08345 0.00000 117 4YY 0.10588 -0.07446 -0.00001 -0.00386 -0.00001 118 4ZZ -0.08516 -0.01009 0.00001 -0.05404 0.00001 119 4XY 0.00000 0.00000 0.06800 0.00000 -0.36301 120 4XZ -0.07623 0.12743 0.00000 -0.04458 -0.00001 121 4YZ 0.00000 0.00000 0.16856 0.00000 0.29105 122 16 C 1S -0.01131 0.01609 -0.02503 -0.02890 -0.00973 123 2S -0.31841 0.38219 -0.34933 -0.50951 -0.36848 124 2PX 0.13207 -0.07670 0.03631 0.15009 0.07914 125 2PY 0.11107 0.03984 -0.00259 -0.04253 0.06978 126 2PZ 0.01300 0.17797 -0.08799 -0.10660 0.00335 127 3S 0.36097 -0.57836 1.52651 1.15112 1.28483 128 3PX -0.44561 -0.20676 -0.42035 0.05036 0.35536 129 3PY -0.23834 -0.11249 1.91651 -0.10735 -0.33831 130 3PZ -0.24851 -0.51309 0.14189 0.49905 -0.18247 131 4XX -0.14370 -0.02776 -0.15320 -0.13926 0.01106 132 4YY 0.02601 0.05753 0.01375 -0.09251 -0.00073 133 4ZZ 0.02872 -0.01608 0.08836 0.22955 0.00631 134 4XY -0.12678 0.24441 0.03357 -0.07519 -0.01117 135 4XZ -0.04359 0.17102 -0.07167 -0.01104 -0.02497 136 4YZ -0.00763 -0.10538 0.00056 -0.09713 -0.09739 137 17 C 1S -0.01131 0.01609 0.02503 -0.02890 0.00973 138 2S -0.31841 0.38219 0.34933 -0.50951 0.36848 139 2PX 0.13207 -0.07670 -0.03631 0.15010 -0.07914 140 2PY -0.11107 -0.03984 -0.00259 0.04253 0.06978 141 2PZ 0.01299 0.17797 0.08799 -0.10660 -0.00335 142 3S 0.36097 -0.57834 -1.52652 1.15112 -1.28483 143 3PX -0.44562 -0.20677 0.42034 0.05036 -0.35536 144 3PY 0.23835 0.11249 1.91652 0.10734 -0.33832 145 3PZ -0.24851 -0.51309 -0.14183 0.49905 0.18246 146 4XX -0.14370 -0.02777 0.15320 -0.13926 -0.01106 147 4YY 0.02601 0.05752 -0.01374 -0.09252 0.00073 148 4ZZ 0.02872 -0.01607 -0.08836 0.22956 -0.00632 149 4XY 0.12678 -0.24442 0.03356 0.07519 -0.01117 150 4XZ -0.04359 0.17101 0.07167 -0.01104 0.02497 151 4YZ 0.00763 0.10539 0.00056 0.09712 -0.09739 152 18 H 1S -0.23101 0.05449 0.00000 0.04442 0.00000 153 2S -0.48222 0.12573 0.00000 -0.00444 0.00000 154 19 H 1S -0.00535 -0.04459 0.14582 -0.04191 -0.15841 155 2S -0.37751 -0.19570 0.29933 -0.02646 -0.29771 156 20 H 1S -0.00536 -0.04459 -0.14582 -0.04191 0.15841 157 2S -0.37752 -0.19570 -0.29933 -0.02646 0.29771 158 21 H 1S -0.24468 -0.12874 0.00000 0.14238 0.00000 159 2S -0.15172 0.08191 0.00000 0.16888 0.00000 160 22 O 1S 0.01455 -0.01718 -0.00038 0.01509 -0.01366 161 2S 0.05297 -0.18687 0.11897 0.14237 -0.27636 162 2PX 0.21546 -0.03748 -0.30921 -0.07767 0.05403 163 2PY 0.04585 -0.02607 0.10717 0.03030 0.03013 164 2PZ 0.11009 0.11039 -0.23821 -0.01672 0.19735 165 3S -0.51428 0.73229 -0.07771 -0.51187 0.78420 166 3PX -0.58259 -0.02973 0.94671 0.49716 -0.27074 167 3PY 0.07594 -0.04235 -0.50118 -0.07287 -0.00221 168 3PZ -0.39601 -0.27908 0.86012 0.18068 -0.64923 169 4XX 0.11643 -0.05523 -0.01920 0.19803 -0.23075 170 4YY -0.11171 0.05172 -0.03160 0.00874 -0.05932 171 4ZZ 0.09474 -0.18561 0.12792 -0.06366 0.07487 172 4XY -0.06692 0.08982 0.06570 0.06216 0.20191 173 4XZ -0.02395 -0.00085 0.10050 -0.04650 -0.06396 174 4YZ -0.07712 0.01150 0.05915 -0.12312 -0.19155 175 23 O 1S 0.01455 -0.01718 0.00038 0.01509 0.01366 176 2S 0.05297 -0.18687 -0.11897 0.14237 0.27636 177 2PX 0.21546 -0.03748 0.30921 -0.07767 -0.05403 178 2PY -0.04585 0.02607 0.10716 -0.03030 0.03014 179 2PZ 0.11008 0.11039 0.23822 -0.01672 -0.19734 180 3S -0.51428 0.73228 0.07772 -0.51187 -0.78420 181 3PX -0.58259 -0.02971 -0.94671 0.49716 0.27074 182 3PY -0.07592 0.04237 -0.50115 0.07286 -0.00223 183 3PZ -0.39602 -0.27907 -0.86014 0.18068 0.64923 184 4XX 0.11643 -0.05523 0.01920 0.19803 0.23075 185 4YY -0.11171 0.05172 0.03160 0.00873 0.05933 186 4ZZ 0.09474 -0.18561 -0.12792 -0.06366 -0.07489 187 4XY 0.06692 -0.08983 0.06570 -0.06216 0.20191 188 4XZ -0.02395 -0.00086 -0.10050 -0.04650 0.06397 189 4YZ 0.07711 -0.01149 0.05915 0.12312 -0.19154 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43859 1.47573 1.49204 1.52643 1 1 C 1S -0.00106 0.00081 -0.03063 -0.03114 -0.00607 2 2S 0.01601 0.20900 -0.35371 -0.64134 0.04275 3 2PX 0.05016 0.19410 -0.06786 -0.11834 -0.00947 4 2PY 0.07910 0.06703 0.03648 -0.04191 0.03941 5 2PZ -0.00580 0.09660 0.03729 0.03271 0.02640 6 3S -0.02201 -2.13874 1.31294 2.40628 -0.17835 7 3PX -0.27393 -0.16721 -0.12628 -0.12801 -0.23795 8 3PY -0.49499 -1.88721 -0.33184 0.76046 -0.54529 9 3PZ -0.38782 -0.68930 0.03803 -0.54792 -0.83989 10 4XX 0.14740 0.03027 -0.03533 0.20758 0.05016 11 4YY -0.04490 -0.07791 0.03741 -0.07442 0.00714 12 4ZZ -0.11626 0.00342 -0.03370 -0.14436 -0.06459 13 4XY 0.01052 -0.03766 0.25409 -0.00261 0.01535 14 4XZ 0.10690 0.01953 0.18616 0.00472 0.01448 15 4YZ 0.10255 0.14850 -0.08578 0.09061 -0.06502 16 2 H 1S -0.06466 -0.25066 -0.19617 -0.00856 -0.13868 17 2S -0.22009 -0.43219 -0.27305 0.00669 -0.19650 18 3 C 1S -0.00001 -0.03416 0.00420 0.00385 0.00339 19 2S -0.06270 -0.63087 -0.15346 0.09939 -0.13751 20 2PX 0.05033 -0.00827 -0.08895 0.03796 -0.19639 21 2PY -0.06091 -0.00129 -0.08888 0.00144 -0.07035 22 2PZ -0.08099 -0.14289 -0.10378 0.05481 -0.03982 23 3S -0.34785 4.16381 -0.46486 -1.29764 -0.48092 24 3PX 0.08188 1.46137 0.15017 -0.99537 0.17978 25 3PY 0.49778 2.49447 0.54013 0.16340 0.59551 26 3PZ 0.27497 2.11319 0.14299 -1.13912 0.31873 27 4XX -0.21123 -0.12330 0.07433 -0.14260 0.17050 28 4YY 0.00852 0.00994 0.00941 0.01633 -0.07033 29 4ZZ 0.16876 0.11278 -0.07830 0.12414 -0.07488 30 4XY -0.03955 -0.01268 -0.09507 -0.01622 0.42478 31 4XZ 0.00126 -0.00782 -0.00429 -0.04653 0.09821 32 4YZ -0.03351 0.02774 0.17962 -0.03405 -0.26609 33 4 H 1S 0.17031 0.44256 0.09235 -0.12979 0.09592 34 2S 0.18615 0.85217 0.23703 -0.35059 0.29642 35 5 C 1S -0.00001 0.03416 0.00420 -0.00385 0.00339 36 2S -0.06269 0.63087 -0.15346 -0.09939 -0.13751 37 2PX 0.05033 0.00827 -0.08895 -0.03796 -0.19639 38 2PY 0.06091 -0.00129 0.08888 0.00145 0.07035 39 2PZ -0.08099 0.14289 -0.10377 -0.05481 -0.03982 40 3S -0.34788 -4.16381 -0.46485 1.29763 -0.48092 41 3PX 0.08187 -1.46137 0.15017 0.99537 0.17978 42 3PY -0.49778 2.49456 -0.54015 0.16335 -0.59553 43 3PZ 0.27494 -2.11310 0.14298 1.13913 0.31871 44 4XX -0.21123 0.12330 0.07432 0.14260 0.17050 45 4YY 0.00852 -0.00994 0.00942 -0.01633 -0.07034 46 4ZZ 0.16876 -0.11278 -0.07831 -0.12414 -0.07486 47 4XY 0.03955 -0.01268 0.09507 -0.01622 -0.42479 48 4XZ 0.00126 0.00782 -0.00428 0.04653 0.09819 49 4YZ 0.03350 0.02774 -0.17962 -0.03404 0.26609 50 6 H 1S 0.17031 -0.44256 0.09235 0.12979 0.09592 51 2S 0.18614 -0.85217 0.23703 0.35059 0.29642 52 7 C 1S -0.00106 -0.00081 -0.03063 0.03114 -0.00607 53 2S 0.01601 -0.20900 -0.35371 0.64134 0.04275 54 2PX 0.05016 -0.19410 -0.06786 0.11834 -0.00947 55 2PY -0.07910 0.06703 -0.03649 -0.04191 -0.03941 56 2PZ -0.00580 -0.09660 0.03728 -0.03271 0.02640 57 3S -0.02199 2.13875 1.31294 -2.40626 -0.17834 58 3PX -0.27392 0.16722 -0.12628 0.12801 -0.23794 59 3PY 0.49499 -1.88724 0.33185 0.76044 0.54532 60 3PZ -0.38780 0.68923 0.03804 0.54795 -0.83987 61 4XX 0.14740 -0.03027 -0.03533 -0.20758 0.05016 62 4YY -0.04490 0.07790 0.03740 0.07441 0.00714 63 4ZZ -0.11626 -0.00341 -0.03370 0.14437 -0.06458 64 4XY -0.01053 -0.03766 -0.25409 -0.00261 -0.01535 65 4XZ 0.10690 -0.01953 0.18615 -0.00472 0.01448 66 4YZ -0.10254 0.14850 0.08578 0.09061 0.06502 67 8 H 1S -0.06466 0.25066 -0.19617 0.00856 -0.13868 68 2S -0.22009 0.43219 -0.27305 -0.00669 -0.19650 69 9 C 1S -0.00878 -0.01125 0.02547 -0.00802 -0.01519 70 2S -0.07679 -0.10902 0.31942 -0.14602 -0.17854 71 2PX -0.11641 -0.14119 -0.01976 0.00557 -0.05065 72 2PY 0.01540 0.00989 0.01877 -0.03490 -0.04836 73 2PZ -0.02684 -0.05507 0.00835 0.10762 -0.09708 74 3S 0.60618 1.66289 -0.92397 -0.13047 0.98788 75 3PX 0.27274 0.75647 0.15989 -0.29080 0.03772 76 3PY -0.14025 0.05684 0.25708 -0.06390 -0.19493 77 3PZ -0.15555 -0.73083 0.07797 0.12547 -0.26384 78 4XX -0.08181 -0.09646 -0.15999 0.01250 0.03918 79 4YY -0.02741 -0.00412 0.03119 -0.01738 0.05395 80 4ZZ 0.09956 0.10359 0.15503 -0.01155 -0.09875 81 4XY -0.16103 -0.02405 -0.28763 -0.04551 -0.05581 82 4XZ -0.09815 -0.01797 -0.20214 -0.06224 -0.13137 83 4YZ 0.04303 0.00998 0.06544 -0.02535 0.19132 84 10 H 1S -0.01879 0.13076 0.14749 -0.17149 -0.01190 85 2S 0.07832 0.20086 0.12145 -0.03245 -0.03454 86 11 H 1S -0.01750 -0.18247 0.06175 -0.03251 -0.07638 87 2S -0.28472 -0.32812 0.15940 0.17296 -0.09892 88 12 C 1S -0.00878 0.01125 0.02547 0.00802 -0.01519 89 2S -0.07679 0.10902 0.31942 0.14602 -0.17855 90 2PX -0.11641 0.14119 -0.01976 -0.00557 -0.05065 91 2PY -0.01540 0.00989 -0.01877 -0.03489 0.04836 92 2PZ -0.02684 0.05507 0.00835 -0.10762 -0.09708 93 3S 0.60617 -1.66290 -0.92396 0.13046 0.98789 94 3PX 0.27274 -0.75647 0.15990 0.29080 0.03772 95 3PY 0.14025 0.05681 -0.25708 -0.06390 0.19493 96 3PZ -0.15554 0.73083 0.07795 -0.12548 -0.26383 97 4XX -0.08181 0.09646 -0.15999 -0.01250 0.03918 98 4YY -0.02741 0.00412 0.03119 0.01738 0.05396 99 4ZZ 0.09956 -0.10359 0.15503 0.01155 -0.09876 100 4XY 0.16103 -0.02405 0.28763 -0.04551 0.05582 101 4XZ -0.09814 0.01797 -0.20213 0.06224 -0.13137 102 4YZ -0.04303 0.00999 -0.06545 -0.02535 -0.19131 103 13 H 1S -0.01879 -0.13076 0.14749 0.17149 -0.01190 104 2S 0.07832 -0.20086 0.12145 0.03245 -0.03454 105 14 H 1S -0.01750 0.18247 0.06175 0.03251 -0.07638 106 2S -0.28472 0.32812 0.15940 -0.17296 -0.09892 107 15 C 1S 0.00074 0.00000 -0.00743 0.00000 -0.00682 108 2S 0.01634 0.00000 -0.12548 0.00000 -0.07193 109 2PX -0.00488 0.00000 0.01573 0.00000 -0.06208 110 2PY 0.00000 -0.03485 0.00000 -0.22520 0.00000 111 2PZ 0.03081 0.00000 -0.04164 0.00000 -0.01870 112 3S 0.03848 0.00000 0.46531 0.00000 0.66529 113 3PX 0.12277 0.00000 -0.11298 0.00000 0.01771 114 3PY 0.00001 -0.28309 0.00000 -0.72635 0.00000 115 3PZ -0.34182 0.00000 0.18419 -0.00001 -0.18306 116 4XX -0.09718 0.00000 0.02632 0.00000 -0.03335 117 4YY 0.02025 -0.00001 0.02671 0.00000 0.04150 118 4ZZ 0.08013 0.00001 -0.04832 0.00000 -0.00088 119 4XY 0.00000 -0.21198 0.00000 0.06641 0.00000 120 4XZ 0.03031 0.00000 -0.04432 0.00000 0.03235 121 4YZ 0.00000 0.27131 0.00000 0.09134 0.00000 122 16 C 1S -0.00381 -0.01660 0.00716 0.02111 -0.00047 123 2S 0.00439 0.08828 0.14033 0.09085 0.17218 124 2PX 0.01503 -0.10459 -0.06916 0.00587 -0.07964 125 2PY -0.03599 -0.01778 0.00621 -0.03433 -0.05614 126 2PZ 0.01499 0.08279 0.02820 0.02016 0.02916 127 3S -0.11256 0.18952 -0.34454 0.74529 -0.30776 128 3PX -0.06454 0.01932 0.08187 0.98327 0.21227 129 3PY 0.12178 0.28256 0.09933 0.90158 0.22881 130 3PZ -0.07462 -0.57125 -0.02744 0.70289 0.03657 131 4XX 0.21502 -0.10737 -0.09949 0.02322 -0.07297 132 4YY -0.00055 -0.00399 0.03983 0.00396 0.03297 133 4ZZ -0.22865 0.06503 0.04315 0.06358 0.00140 134 4XY -0.14659 -0.01617 0.06084 -0.00408 -0.02554 135 4XZ -0.02637 0.04680 0.02053 -0.01962 0.01797 136 4YZ 0.19401 -0.04290 -0.07857 0.04873 0.01806 137 17 C 1S -0.00381 0.01660 0.00716 -0.02111 -0.00047 138 2S 0.00439 -0.08827 0.14033 -0.09085 0.17218 139 2PX 0.01503 0.10459 -0.06916 -0.00587 -0.07965 140 2PY 0.03599 -0.01778 -0.00621 -0.03433 0.05614 141 2PZ 0.01499 -0.08279 0.02821 -0.02016 0.02917 142 3S -0.11258 -0.18953 -0.34454 -0.74529 -0.30776 143 3PX -0.06454 -0.01932 0.08187 -0.98327 0.21228 144 3PY -0.12177 0.28253 -0.09932 0.90161 -0.22881 145 3PZ -0.07461 0.57126 -0.02745 -0.70285 0.03656 146 4XX 0.21502 0.10737 -0.09949 -0.02322 -0.07297 147 4YY -0.00054 0.00399 0.03982 -0.00396 0.03297 148 4ZZ -0.22866 -0.06503 0.04316 -0.06357 0.00140 149 4XY 0.14659 -0.01617 -0.06084 -0.00408 0.02554 150 4XZ -0.02637 -0.04680 0.02053 0.01962 0.01797 151 4YZ -0.19400 -0.04289 0.07857 0.04874 -0.01806 152 18 H 1S -0.02911 0.00000 -0.03793 0.00000 -0.03858 153 2S -0.02218 0.00000 -0.00246 0.00000 -0.13443 154 19 H 1S -0.01359 -0.10258 0.05904 0.24379 0.04609 155 2S 0.03318 -0.14197 0.06968 0.38026 0.11083 156 20 H 1S -0.01359 0.10258 0.05904 -0.24379 0.04609 157 2S 0.03318 0.14197 0.06968 -0.38026 0.11083 158 21 H 1S 0.01683 0.00000 -0.03692 0.00000 -0.03038 159 2S 0.19134 0.00000 -0.23564 0.00000 -0.00640 160 22 O 1S -0.00041 -0.00261 -0.00128 -0.05076 0.01116 161 2S -0.04572 0.00002 0.00733 -0.82332 0.14874 162 2PX 0.08892 -0.12812 0.00097 -0.02277 0.03664 163 2PY -0.02576 0.04648 -0.00152 0.19768 -0.05598 164 2PZ -0.02727 -0.03064 0.04204 -0.07313 -0.00274 165 3S 0.09526 -0.03239 -0.00499 2.36689 -0.47569 166 3PX -0.27626 0.39649 -0.05286 0.04331 -0.15543 167 3PY 0.09982 -0.14711 0.02814 -0.79109 0.27396 168 3PZ 0.13895 0.08186 -0.17961 0.16058 -0.03695 169 4XX -0.22357 -0.16256 0.08906 -0.13915 0.05502 170 4YY 0.02322 -0.01325 -0.04503 -0.39743 0.04835 171 4ZZ 0.15853 0.16974 -0.04357 -0.10224 0.01049 172 4XY -0.08474 0.11689 0.01309 -0.03640 -0.01813 173 4XZ 0.08442 0.00774 -0.03148 -0.15583 0.03348 174 4YZ 0.12884 -0.05690 -0.06727 0.03015 -0.01965 175 23 O 1S -0.00041 0.00261 -0.00128 0.05076 0.01116 176 2S -0.04572 -0.00002 0.00732 0.82332 0.14873 177 2PX 0.08892 0.12812 0.00097 0.02277 0.03664 178 2PY 0.02576 0.04648 0.00152 0.19767 0.05598 179 2PZ -0.02727 0.03064 0.04204 0.07314 -0.00274 180 3S 0.09526 0.03239 -0.00498 -2.36689 -0.47568 181 3PX -0.27626 -0.39649 -0.05286 -0.04332 -0.15543 182 3PY -0.09983 -0.14710 -0.02813 -0.79109 -0.27396 183 3PZ 0.13894 -0.08187 -0.17961 -0.16061 -0.03696 184 4XX -0.22357 0.16256 0.08906 0.13915 0.05502 185 4YY 0.02323 0.01325 -0.04504 0.39743 0.04835 186 4ZZ 0.15852 -0.16975 -0.04357 0.10224 0.01049 187 4XY 0.08474 0.11689 -0.01309 -0.03641 0.01813 188 4XZ 0.08443 -0.00774 -0.03148 0.15583 0.03348 189 4YZ -0.12885 -0.05689 0.06727 0.03016 0.01965 126 127 128 129 130 V V V V V Eigenvalues -- 1.58531 1.63999 1.66109 1.72044 1.72342 1 1 C 1S -0.06585 -0.00884 -0.02090 -0.00379 -0.00654 2 2S -0.86152 -0.21281 -0.24306 0.00594 -0.14045 3 2PX -0.12200 -0.04610 -0.02962 0.01770 0.00299 4 2PY 0.03385 -0.05603 -0.01736 0.01744 -0.04921 5 2PZ 0.06053 0.11512 0.03243 0.09041 -0.03196 6 3S 2.89480 -0.70136 0.02463 0.21340 0.44712 7 3PX 0.56277 0.18130 0.19362 0.07328 0.04845 8 3PY -0.24657 -0.40119 -0.29758 0.31084 0.56071 9 3PZ 0.09287 -0.11823 -0.17434 0.12389 -0.11846 10 4XX 0.01462 -0.21310 -0.09796 0.05636 0.09150 11 4YY -0.05879 0.01234 -0.03550 -0.02360 -0.08415 12 4ZZ -0.01468 0.20041 0.09826 -0.01150 0.00680 13 4XY -0.13104 0.18237 0.08478 -0.04359 -0.02080 14 4XZ -0.08626 -0.04659 0.01108 -0.09245 -0.04629 15 4YZ 0.10409 -0.21164 -0.09613 -0.16260 0.01165 16 2 H 1S -0.40056 0.01176 -0.04642 0.09509 0.09165 17 2S -0.42924 -0.12550 -0.12479 0.08767 0.24746 18 3 C 1S 0.00886 -0.01621 -0.01319 0.00180 0.00715 19 2S 0.08472 -0.44149 -0.29761 0.04316 0.01898 20 2PX -0.01935 -0.14540 -0.08119 0.00715 -0.00714 21 2PY -0.03675 -0.02995 0.00643 0.10089 0.03041 22 2PZ -0.01439 -0.03087 -0.01757 -0.01861 -0.04835 23 3S -0.58729 1.82284 1.23403 0.06927 -0.30089 24 3PX -0.22970 1.09016 0.48663 -0.06767 -0.19705 25 3PY 0.24824 0.85211 0.67212 -0.29126 -0.08740 26 3PZ -0.11420 1.25683 0.61031 -0.08913 -0.08377 27 4XX -0.04494 0.24397 0.08629 -0.01687 -0.17762 28 4YY 0.03285 -0.01243 0.00087 -0.09011 -0.00061 29 4ZZ 0.04305 -0.20708 -0.08505 0.11952 0.20297 30 4XY 0.07918 0.01586 -0.01734 -0.12176 -0.03226 31 4XZ 0.03926 -0.06681 -0.03817 -0.04702 -0.02561 32 4YZ 0.04071 0.09580 0.05269 0.01506 0.00591 33 4 H 1S -0.02223 0.27178 0.14153 -0.03415 -0.03786 34 2S 0.01967 0.52926 0.24152 -0.09396 -0.04128 35 5 C 1S 0.00886 0.01621 0.01319 0.00180 0.00715 36 2S 0.08472 0.44149 0.29761 0.04316 0.01898 37 2PX -0.01935 0.14540 0.08119 0.00715 -0.00714 38 2PY 0.03675 -0.02995 0.00643 -0.10089 -0.03041 39 2PZ -0.01439 0.03087 0.01757 -0.01861 -0.04835 40 3S -0.58729 -1.82284 -1.23403 0.06927 -0.30088 41 3PX -0.22970 -1.09015 -0.48662 -0.06767 -0.19704 42 3PY -0.24823 0.85216 0.67214 0.29126 0.08741 43 3PZ -0.11422 -1.25679 -0.61028 -0.08912 -0.08377 44 4XX -0.04495 -0.24397 -0.08629 -0.01687 -0.17762 45 4YY 0.03285 0.01242 -0.00087 -0.09011 -0.00061 46 4ZZ 0.04304 0.20708 0.08505 0.11952 0.20297 47 4XY -0.07918 0.01586 -0.01734 0.12176 0.03226 48 4XZ 0.03925 0.06681 0.03817 -0.04701 -0.02561 49 4YZ -0.04071 0.09580 0.05268 -0.01507 -0.00592 50 6 H 1S -0.02223 -0.27178 -0.14153 -0.03415 -0.03786 51 2S 0.01967 -0.52926 -0.24152 -0.09396 -0.04128 52 7 C 1S -0.06585 0.00885 0.02090 -0.00379 -0.00654 53 2S -0.86152 0.21282 0.24306 0.00594 -0.14045 54 2PX -0.12200 0.04610 0.02962 0.01770 0.00299 55 2PY -0.03385 -0.05603 -0.01736 -0.01744 0.04921 56 2PZ 0.06053 -0.11512 -0.03243 0.09041 -0.03196 57 3S 2.89480 0.70135 -0.02464 0.21339 0.44712 58 3PX 0.56277 -0.18131 -0.19362 0.07328 0.04846 59 3PY 0.24657 -0.40120 -0.29759 -0.31084 -0.56071 60 3PZ 0.09288 0.11821 0.17433 0.12388 -0.11848 61 4XX 0.01463 0.21310 0.09796 0.05636 0.09150 62 4YY -0.05879 -0.01233 0.03551 -0.02361 -0.08415 63 4ZZ -0.01469 -0.20043 -0.09826 -0.01149 0.00680 64 4XY 0.13104 0.18237 0.08478 0.04359 0.02080 65 4XZ -0.08625 0.04660 -0.01107 -0.09245 -0.04629 66 4YZ -0.10410 -0.21163 -0.09612 0.16260 -0.01166 67 8 H 1S -0.40056 -0.01176 0.04642 0.09509 0.09165 68 2S -0.42924 0.12551 0.12479 0.08767 0.24746 69 9 C 1S 0.02591 -0.00195 -0.01450 0.01469 0.00472 70 2S 0.33623 -0.04623 -0.26317 0.19163 0.08342 71 2PX 0.02973 -0.06849 -0.04864 0.04069 0.00013 72 2PY -0.00507 -0.00561 0.01057 -0.07059 0.04896 73 2PZ 0.05336 0.03427 0.02592 -0.06373 -0.05724 74 3S -1.44970 0.34983 0.94866 -0.57968 -0.14165 75 3PX 0.02107 0.41034 0.21781 -0.11533 0.01412 76 3PY 0.48959 0.20975 0.30310 0.12997 -0.17192 77 3PZ 0.32285 -0.20115 -0.00173 0.24860 0.19678 78 4XX -0.03709 -0.00066 0.00060 -0.04812 0.08645 79 4YY 0.01477 0.02182 0.01094 0.20141 0.05175 80 4ZZ 0.03338 -0.01296 -0.01291 -0.13250 -0.14719 81 4XY 0.00071 0.05658 0.00546 -0.04802 0.05434 82 4XZ 0.12913 -0.07515 -0.04106 -0.07492 -0.04519 83 4YZ -0.21143 0.06638 0.06011 -0.10798 0.20438 84 10 H 1S 0.13092 0.04098 -0.04359 0.00955 0.03394 85 2S 0.13306 0.18514 0.02261 -0.03751 -0.05584 86 11 H 1S 0.10228 -0.11413 -0.05493 0.01338 0.05452 87 2S 0.14284 -0.01886 -0.21783 0.17277 -0.08150 88 12 C 1S 0.02591 0.00195 0.01450 0.01469 0.00472 89 2S 0.33623 0.04623 0.26317 0.19163 0.08343 90 2PX 0.02973 0.06849 0.04864 0.04069 0.00013 91 2PY 0.00507 -0.00561 0.01057 0.07059 -0.04896 92 2PZ 0.05336 -0.03427 -0.02592 -0.06373 -0.05725 93 3S -1.44970 -0.34982 -0.94866 -0.57967 -0.14168 94 3PX 0.02107 -0.41034 -0.21781 -0.11533 0.01412 95 3PY -0.48960 0.20974 0.30310 -0.12998 0.17192 96 3PZ 0.32283 0.20116 0.00174 0.24860 0.19679 97 4XX -0.03709 0.00066 -0.00060 -0.04812 0.08645 98 4YY 0.01476 -0.02182 -0.01095 0.20140 0.05176 99 4ZZ 0.03339 0.01296 0.01292 -0.13249 -0.14720 100 4XY -0.00071 0.05657 0.00545 0.04802 -0.05434 101 4XZ 0.12913 0.07515 0.04106 -0.07491 -0.04519 102 4YZ 0.21143 0.06638 0.06011 0.10800 -0.20437 103 13 H 1S 0.13092 -0.04098 0.04359 0.00955 0.03394 104 2S 0.13306 -0.18515 -0.02261 -0.03751 -0.05584 105 14 H 1S 0.10228 0.11413 0.05493 0.01338 0.05452 106 2S 0.14284 0.01886 0.21783 0.17277 -0.08150 107 15 C 1S -0.04133 0.00000 0.00000 -0.05840 -0.02191 108 2S -0.49555 0.00000 0.00000 -0.84460 -0.20615 109 2PX 0.01204 0.00000 0.00000 -0.02711 -0.06461 110 2PY 0.00000 -0.01600 -0.08175 0.00000 0.00000 111 2PZ -0.09207 0.00000 0.00000 -0.07415 -0.13709 112 3S 2.24358 0.00000 0.00000 3.62505 1.60466 113 3PX -0.26797 0.00000 0.00000 -0.60154 -0.20793 114 3PY 0.00000 0.03154 -0.23330 0.00001 0.00000 115 3PZ -0.11189 0.00000 0.00000 -0.76187 0.10963 116 4XX 0.02130 0.00000 0.00000 -0.00156 -0.11157 117 4YY 0.05038 0.00000 0.00000 0.14093 0.23144 118 4ZZ -0.03712 0.00000 0.00000 -0.11788 -0.09506 119 4XY 0.00000 0.03201 -0.10568 0.00000 0.00000 120 4XZ -0.01872 0.00000 0.00000 0.19832 -0.22653 121 4YZ 0.00000 -0.04261 0.13029 0.00001 0.00001 122 16 C 1S 0.04040 0.01152 0.02962 0.00002 0.02805 123 2S 0.60436 0.17830 0.43691 -0.07039 0.23452 124 2PX -0.05271 -0.03005 -0.15245 0.05061 -0.06211 125 2PY -0.06550 0.02312 -0.05147 -0.06818 -0.02266 126 2PZ 0.00406 -0.03319 0.03689 -0.00801 0.05290 127 3S -1.95160 -0.16180 -1.51078 0.29965 -1.27059 128 3PX -0.02017 0.73272 0.44815 0.16653 -0.10957 129 3PY 0.80078 -0.35688 0.20487 0.04242 0.70144 130 3PZ -0.31306 0.42160 0.50423 0.12448 0.00461 131 4XX -0.13151 -0.09402 0.25049 0.00256 0.10736 132 4YY 0.01156 0.00610 0.00871 0.02817 -0.02755 133 4ZZ 0.14563 0.11787 -0.23974 -0.03001 -0.03010 134 4XY -0.13906 -0.06846 0.04773 0.04181 0.33945 135 4XZ -0.05059 0.04512 -0.06151 0.05989 -0.19642 136 4YZ 0.14718 0.01671 0.15471 0.04144 -0.13419 137 17 C 1S 0.04040 -0.01152 -0.02962 0.00002 0.02805 138 2S 0.60436 -0.17831 -0.43691 -0.07039 0.23452 139 2PX -0.05271 0.03005 0.15245 0.05061 -0.06211 140 2PY 0.06550 0.02312 -0.05146 0.06818 0.02266 141 2PZ 0.00406 0.03319 -0.03690 -0.00800 0.05291 142 3S -1.95159 0.16180 1.51078 0.29966 -1.27059 143 3PX -0.02017 -0.73272 -0.44814 0.16653 -0.10957 144 3PY -0.80078 -0.35686 0.20489 -0.04243 -0.70144 145 3PZ -0.31310 -0.42162 -0.50422 0.12448 0.00459 146 4XX -0.13151 0.09402 -0.25049 0.00256 0.10736 147 4YY 0.01157 -0.00610 -0.00873 0.02817 -0.02756 148 4ZZ 0.14562 -0.11787 0.23975 -0.03002 -0.03009 149 4XY 0.13906 -0.06845 0.04773 -0.04182 -0.33945 150 4XZ -0.05058 -0.04512 0.06151 0.05988 -0.19643 151 4YZ -0.14719 0.01671 0.15469 -0.04144 0.13419 152 18 H 1S -0.23758 0.00000 0.00000 -0.28516 -0.09812 153 2S -0.17540 0.00000 0.00000 -0.31561 -0.10313 154 19 H 1S 0.16765 0.00466 0.34682 -0.04739 0.33493 155 2S 0.33031 0.10407 0.44350 0.02258 0.31102 156 20 H 1S 0.16765 -0.00466 -0.34682 -0.04739 0.33493 157 2S 0.33031 -0.10407 -0.44350 0.02258 0.31103 158 21 H 1S -0.18728 0.00000 0.00000 -0.12614 -0.17730 159 2S -0.33603 0.00000 0.00000 -0.33186 -0.27370 160 22 O 1S -0.00354 -0.02179 0.00016 0.05705 -0.00339 161 2S -0.06708 -0.45275 0.05977 0.81997 0.01219 162 2PX 0.13681 0.07074 -0.01650 0.03075 0.04643 163 2PY -0.08830 0.05001 -0.02750 -0.07790 -0.15160 164 2PZ 0.12577 0.05566 -0.10645 -0.02447 0.07602 165 3S 0.23673 1.24077 -0.04594 -2.75058 0.08296 166 3PX -0.73374 -0.35975 0.25333 -0.19577 -0.55463 167 3PY 0.42528 -0.15273 -0.05193 0.89462 0.48596 168 3PZ -0.60155 -0.22880 0.24528 -0.12097 -0.58488 169 4XX 0.00872 -0.20349 0.27272 0.14539 0.00324 170 4YY -0.08098 -0.11502 -0.10896 0.38300 -0.10104 171 4ZZ 0.02453 0.01753 -0.14053 0.03593 0.11408 172 4XY 0.01822 -0.13343 0.15336 0.04225 -0.14746 173 4XZ -0.05819 -0.10993 -0.01001 0.24468 -0.08075 174 4YZ -0.08771 0.15771 -0.29335 -0.07005 -0.05628 175 23 O 1S -0.00354 0.02179 -0.00016 0.05705 -0.00339 176 2S -0.06708 0.45275 -0.05977 0.81997 0.01219 177 2PX 0.13681 -0.07074 0.01650 0.03075 0.04643 178 2PY 0.08829 0.05001 -0.02750 0.07790 0.15160 179 2PZ 0.12577 -0.05566 0.10645 -0.02446 0.07602 180 3S 0.23673 -1.24078 0.04594 -2.75058 0.08296 181 3PX -0.73374 0.35975 -0.25333 -0.19577 -0.55463 182 3PY -0.42526 -0.15274 -0.05192 -0.89461 -0.48594 183 3PZ -0.60157 0.22880 -0.24528 -0.12100 -0.58489 184 4XX 0.00872 0.20349 -0.27272 0.14539 0.00324 185 4YY -0.08098 0.11501 0.10898 0.38300 -0.10104 186 4ZZ 0.02453 -0.01752 0.14051 0.03594 0.11409 187 4XY -0.01822 -0.13343 0.15336 -0.04226 0.14746 188 4XZ -0.05819 0.10993 0.01002 0.24468 -0.08075 189 4YZ 0.08771 0.15772 -0.29335 0.07006 0.05627 131 132 133 134 135 V V V V V Eigenvalues -- 1.75844 1.77089 1.79419 1.86000 1.87778 1 1 C 1S 0.02083 0.00894 0.01305 -0.01184 -0.00028 2 2S 0.21966 -0.15007 0.42520 0.02956 -0.08287 3 2PX -0.01555 -0.10628 0.05179 0.04973 -0.09436 4 2PY -0.08119 -0.01623 0.17803 0.05542 0.03124 5 2PZ -0.16314 -0.16018 0.07982 0.02017 -0.01126 6 3S -1.44400 0.16630 -1.04182 0.80912 0.31584 7 3PX -0.50938 0.19358 0.05046 -0.53068 0.05476 8 3PY -0.00280 0.12667 -1.24031 0.64365 0.40484 9 3PZ -0.64801 0.22909 -0.24895 0.03754 -0.19181 10 4XX -0.03788 0.00110 0.03389 0.00840 0.15841 11 4YY 0.00262 -0.04575 -0.07293 -0.12210 -0.12118 12 4ZZ -0.01895 0.08850 0.02360 0.11678 0.04442 13 4XY -0.13104 0.12431 0.15864 -0.36432 0.14602 14 4XZ 0.14277 0.03968 -0.01952 -0.33690 -0.15217 15 4YZ -0.03598 0.24408 -0.06020 -0.09694 -0.01490 16 2 H 1S 0.13468 0.06205 -0.09442 0.13470 0.14745 17 2S 0.17792 -0.00715 -0.38269 0.15260 0.13375 18 3 C 1S 0.01122 0.00162 0.00062 0.01333 0.01748 19 2S 0.12814 -0.04613 0.03932 -0.04263 0.13394 20 2PX -0.01439 0.02878 0.06883 -0.03668 0.04032 21 2PY 0.00468 -0.10434 -0.07960 -0.10487 0.01538 22 2PZ -0.02006 0.05753 0.12896 -0.06128 0.05688 23 3S -0.66199 0.03723 0.15219 -1.12898 -0.50205 24 3PX -0.42166 -0.01482 0.38260 -0.36596 -0.20970 25 3PY -0.18900 0.12013 0.49074 -0.44237 0.04658 26 3PZ -0.38546 -0.05087 0.43233 -0.50672 -0.14991 27 4XX -0.00192 -0.02478 0.17811 -0.03265 0.00844 28 4YY -0.01884 0.17840 -0.02462 -0.12605 0.01560 29 4ZZ -0.02469 -0.15695 -0.15862 0.13246 0.04047 30 4XY -0.03992 0.08696 0.00661 0.05160 0.00708 31 4XZ 0.11770 -0.10982 -0.22737 0.01495 -0.29000 32 4YZ 0.01845 0.01903 -0.20113 -0.00362 -0.00604 33 4 H 1S -0.12094 0.05675 0.39238 -0.13903 0.12566 34 2S -0.17671 0.00011 0.22489 -0.18607 -0.04272 35 5 C 1S -0.01122 0.00162 0.00062 -0.01333 0.01748 36 2S -0.12814 -0.04613 0.03932 0.04263 0.13394 37 2PX 0.01439 0.02878 0.06883 0.03668 0.04032 38 2PY 0.00468 0.10433 0.07959 -0.10487 -0.01538 39 2PZ 0.02006 0.05753 0.12896 0.06128 0.05688 40 3S 0.66200 0.03723 0.15219 1.12898 -0.50205 41 3PX 0.42166 -0.01482 0.38260 0.36596 -0.20970 42 3PY -0.18902 -0.12013 -0.49076 -0.44239 -0.04657 43 3PZ 0.38546 -0.05088 0.43231 0.50670 -0.14991 44 4XX 0.00192 -0.02478 0.17811 0.03265 0.00844 45 4YY 0.01884 0.17840 -0.02463 0.12605 0.01560 46 4ZZ 0.02469 -0.15695 -0.15861 -0.13246 0.04048 47 4XY -0.03991 -0.08696 -0.00661 0.05160 -0.00707 48 4XZ -0.11770 -0.10982 -0.22737 -0.01495 -0.29000 49 4YZ 0.01845 -0.01901 0.20114 -0.00361 0.00604 50 6 H 1S 0.12094 0.05675 0.39238 0.13903 0.12567 51 2S 0.17671 0.00011 0.22489 0.18607 -0.04271 52 7 C 1S -0.02083 0.00894 0.01305 0.01184 -0.00028 53 2S -0.21966 -0.15007 0.42521 -0.02956 -0.08287 54 2PX 0.01555 -0.10628 0.05179 -0.04973 -0.09436 55 2PY -0.08120 0.01624 -0.17803 0.05542 -0.03124 56 2PZ 0.16314 -0.16018 0.07981 -0.02017 -0.01126 57 3S 1.44400 0.16630 -1.04182 -0.80911 0.31584 58 3PX 0.50938 0.19358 0.05046 0.53068 0.05476 59 3PY -0.00282 -0.12668 1.24032 0.64365 -0.40483 60 3PZ 0.64801 0.22908 -0.24890 -0.03751 -0.19182 61 4XX 0.03788 0.00110 0.03389 -0.00840 0.15841 62 4YY -0.00261 -0.04574 -0.07293 0.12210 -0.12118 63 4ZZ 0.01895 0.08848 0.02361 -0.11678 0.04442 64 4XY -0.13104 -0.12431 -0.15864 -0.36433 -0.14601 65 4XZ -0.14277 0.03968 -0.01952 0.33689 -0.15218 66 4YZ -0.03598 -0.24409 0.06020 -0.09693 0.01489 67 8 H 1S -0.13468 0.06205 -0.09442 -0.13470 0.14745 68 2S -0.17792 -0.00715 -0.38269 -0.15260 0.13375 69 9 C 1S -0.12518 -0.00035 -0.00846 0.00080 -0.00965 70 2S -1.56376 0.14149 -0.14164 0.27158 -0.08499 71 2PX -0.02244 0.05759 0.02208 -0.12186 0.03198 72 2PY 0.06202 0.22714 -0.09263 0.00463 0.05462 73 2PZ 0.12569 0.09401 0.00630 -0.05124 0.02298 74 3S 5.60515 -0.22442 0.61782 -0.87341 0.29313 75 3PX 0.03128 -0.14688 -0.25633 1.41133 -0.02940 76 3PY 0.91711 -0.24906 0.20180 -0.29295 -0.22998 77 3PZ -0.81732 0.02763 -0.31809 0.05405 0.08190 78 4XX -0.02089 0.10455 -0.10915 0.23054 0.11899 79 4YY 0.02761 -0.30978 -0.03432 0.03630 -0.07209 80 4ZZ -0.05483 0.19218 0.16304 -0.28340 -0.03570 81 4XY -0.00576 0.11445 -0.01440 0.26259 -0.02212 82 4XZ -0.08593 0.09074 0.10702 -0.01457 -0.06957 83 4YZ 0.13251 0.16742 -0.36425 0.03476 0.02340 84 10 H 1S -0.40226 -0.04098 -0.08462 0.20809 -0.09655 85 2S -0.24800 -0.03880 -0.03965 0.39228 -0.06898 86 11 H 1S -0.43475 0.00265 -0.03725 -0.28151 -0.05734 87 2S -0.33045 0.06394 0.15438 -0.34538 -0.13417 88 12 C 1S 0.12518 -0.00035 -0.00846 -0.00080 -0.00965 89 2S 1.56376 0.14149 -0.14165 -0.27158 -0.08499 90 2PX 0.02244 0.05759 0.02208 0.12186 0.03198 91 2PY 0.06203 -0.22714 0.09263 0.00463 -0.05462 92 2PZ -0.12569 0.09400 0.00630 0.05124 0.02298 93 3S -5.60515 -0.22441 0.61784 0.87341 0.29313 94 3PX -0.03128 -0.14688 -0.25634 -1.41133 -0.02940 95 3PY 0.91707 0.24906 -0.20179 -0.29294 0.22997 96 3PZ 0.81735 0.02764 -0.31810 -0.05406 0.08191 97 4XX 0.02089 0.10455 -0.10915 -0.23054 0.11899 98 4YY -0.02762 -0.30977 -0.03434 -0.03630 -0.07209 99 4ZZ 0.05484 0.19217 0.16307 0.28340 -0.03570 100 4XY -0.00576 -0.11446 0.01440 0.26259 0.02212 101 4XZ 0.08593 0.09074 0.10702 0.01458 -0.06957 102 4YZ 0.13251 -0.16744 0.36424 0.03475 -0.02340 103 13 H 1S 0.40226 -0.04098 -0.08462 -0.20809 -0.09655 104 2S 0.24800 -0.03880 -0.03965 -0.39229 -0.06898 105 14 H 1S 0.43475 0.00265 -0.03725 0.28151 -0.05734 106 2S 0.33045 0.06394 0.15438 0.34538 -0.13417 107 15 C 1S 0.00000 -0.02977 0.01146 0.00000 -0.03006 108 2S 0.00000 -0.45854 0.14946 0.00000 -0.28464 109 2PX 0.00000 0.02921 -0.09250 0.00000 0.07303 110 2PY 0.10026 0.00000 0.00000 0.01890 0.00000 111 2PZ 0.00000 -0.06272 -0.04586 0.00000 0.02805 112 3S 0.00000 1.87796 0.00906 0.00000 0.93831 113 3PX 0.00000 -0.31815 0.12496 0.00000 -0.72136 114 3PY 0.19509 0.00001 0.00000 -0.01325 0.00000 115 3PZ 0.00000 -0.47318 0.13207 0.00000 0.04947 116 4XX 0.00000 0.03864 -0.15256 0.00000 0.15345 117 4YY 0.00000 0.15514 0.19580 0.00000 -0.39589 118 4ZZ 0.00000 -0.17950 -0.04513 0.00000 0.27177 119 4XY -0.09810 0.00000 0.00000 -0.03605 0.00000 120 4XZ 0.00000 0.05056 -0.12548 0.00000 0.20775 121 4YZ 0.00606 0.00001 0.00001 0.06808 -0.00001 122 16 C 1S -0.00438 0.00093 -0.01068 0.00721 0.01815 123 2S 0.02504 -0.01284 -0.11727 0.15408 0.34221 124 2PX -0.00480 -0.01380 -0.05845 -0.03455 0.09219 125 2PY 0.10178 -0.04660 -0.07240 0.00403 -0.02095 126 2PZ 0.09578 -0.03146 -0.02690 0.01809 0.19955 127 3S -0.55920 0.02083 -0.05552 -0.62423 -0.43690 128 3PX -0.66907 0.11326 0.00061 -0.02062 -0.01795 129 3PY -0.83875 0.08772 0.39886 -0.30281 0.01143 130 3PZ -0.98672 0.07772 0.28726 -0.09387 -0.18478 131 4XX 0.00615 0.01904 0.05968 0.01990 -0.08685 132 4YY 0.01853 0.02047 -0.03286 -0.00551 0.11507 133 4ZZ -0.08148 -0.05422 -0.03536 -0.03316 -0.06614 134 4XY -0.10620 0.07392 0.16389 -0.04422 -0.20440 135 4XZ 0.09135 0.07371 -0.11052 -0.00133 -0.13703 136 4YZ -0.02603 0.05060 0.00499 0.04265 -0.26331 137 17 C 1S 0.00438 0.00093 -0.01068 -0.00721 0.01815 138 2S -0.02504 -0.01284 -0.11727 -0.15408 0.34221 139 2PX 0.00480 -0.01380 -0.05845 0.03455 0.09219 140 2PY 0.10178 0.04660 0.07241 0.00403 0.02094 141 2PZ -0.09578 -0.03146 -0.02690 -0.01809 0.19955 142 3S 0.55920 0.02083 -0.05552 0.62423 -0.43690 143 3PX 0.66907 0.11326 0.00061 0.02062 -0.01795 144 3PY -0.83879 -0.08772 -0.39886 -0.30281 -0.01142 145 3PZ 0.98669 0.07772 0.28724 0.09385 -0.18477 146 4XX -0.00615 0.01904 0.05968 -0.01990 -0.08685 147 4YY -0.01853 0.02048 -0.03286 0.00551 0.11506 148 4ZZ 0.08148 -0.05423 -0.03536 0.03316 -0.06612 149 4XY -0.10619 -0.07392 -0.16389 -0.04422 0.20441 150 4XZ -0.09136 0.07370 -0.11053 0.00133 -0.13703 151 4YZ -0.02604 -0.05060 -0.00499 0.04265 0.26332 152 18 H 1S 0.00000 -0.20713 0.07896 0.00000 -0.03278 153 2S 0.00000 -0.14019 -0.06815 0.00000 0.20165 154 19 H 1S -0.17729 -0.04775 0.09548 0.00917 0.26070 155 2S -0.60113 0.10195 0.21682 -0.01288 -0.08182 156 20 H 1S 0.17729 -0.04775 0.09548 -0.00917 0.26070 157 2S 0.60113 0.10195 0.21682 0.01288 -0.08182 158 21 H 1S 0.00000 -0.00291 0.01403 0.00000 -0.36282 159 2S 0.00000 -0.09466 -0.09015 0.00000 -0.08663 160 22 O 1S 0.01605 0.02679 0.00078 0.00054 0.00939 161 2S 0.12762 0.43369 0.07309 -0.01532 0.12946 162 2PX 0.01721 0.01196 -0.05324 0.01837 0.00220 163 2PY 0.04208 -0.02618 -0.06272 0.00847 -0.03898 164 2PZ -0.02560 -0.01221 0.00889 -0.00862 0.05846 165 3S -0.74960 -1.41934 -0.10832 -0.04143 -0.41780 166 3PX 0.02000 -0.14219 -0.02436 0.00795 0.09683 167 3PY 0.13137 0.46514 0.19550 0.00534 0.16549 168 3PZ -0.02624 -0.09731 -0.15990 0.01420 -0.09812 169 4XX -0.00922 0.05153 -0.01736 0.02090 0.00733 170 4YY 0.16029 0.18225 -0.03387 -0.01702 0.08555 171 4ZZ -0.01575 0.03329 0.09925 -0.00424 0.00951 172 4XY 0.02330 0.06691 -0.12529 -0.00414 -0.02801 173 4XZ -0.13655 0.16405 0.01429 -0.05732 -0.07928 174 4YZ 0.05582 -0.10452 0.00212 0.01798 0.15679 175 23 O 1S -0.01605 0.02679 0.00078 -0.00054 0.00939 176 2S -0.12762 0.43369 0.07309 0.01532 0.12946 177 2PX -0.01721 0.01196 -0.05324 -0.01837 0.00220 178 2PY 0.04208 0.02618 0.06272 0.00846 0.03898 179 2PZ 0.02560 -0.01220 0.00889 0.00862 0.05846 180 3S 0.74959 -1.41934 -0.10833 0.04144 -0.41780 181 3PX -0.02000 -0.14219 -0.02436 -0.00795 0.09683 182 3PY 0.13136 -0.46514 -0.19549 0.00534 -0.16548 183 3PZ 0.02625 -0.09733 -0.15991 -0.01419 -0.09813 184 4XX 0.00922 0.05153 -0.01736 -0.02090 0.00733 185 4YY -0.16029 0.18224 -0.03387 0.01702 0.08556 186 4ZZ 0.01575 0.03330 0.09925 0.00424 0.00950 187 4XY 0.02329 -0.06691 0.12529 -0.00414 0.02801 188 4XZ 0.13656 0.16404 0.01429 0.05732 -0.07928 189 4YZ 0.05581 0.10453 -0.00213 0.01798 -0.15679 136 137 138 139 140 V V V V V Eigenvalues -- 1.88534 1.90842 1.93561 1.95824 1.97652 1 1 C 1S -0.00093 0.00089 -0.00047 0.02238 0.00855 2 2S 0.06233 -0.07420 -0.00401 0.45063 -0.14058 3 2PX 0.02045 0.03813 -0.06485 0.04127 0.10330 4 2PY -0.06496 0.02102 0.06627 0.15546 -0.12427 5 2PZ -0.04864 -0.01931 0.02262 0.05146 0.06905 6 3S -0.27082 -0.14515 0.11410 -1.31279 -0.14609 7 3PX -0.18401 0.20347 0.21455 0.07912 -0.23950 8 3PY 0.21506 -0.34601 0.24190 0.16944 0.17851 9 3PZ -0.03383 0.25693 -0.17265 -0.13915 -0.16022 10 4XX -0.03811 -0.09738 0.18831 0.25772 -0.00278 11 4YY 0.10529 -0.03104 -0.08181 -0.40738 0.00070 12 4ZZ -0.08163 0.07859 -0.04248 0.09326 -0.03742 13 4XY -0.04946 0.01422 0.29699 0.13396 -0.06838 14 4XZ 0.01284 0.25138 -0.00997 0.11375 0.09541 15 4YZ -0.07509 0.04736 -0.10414 -0.15466 -0.06262 16 2 H 1S -0.00726 -0.00959 0.16428 0.51594 0.04248 17 2S 0.15105 -0.14774 0.07188 0.05852 0.06092 18 3 C 1S 0.00129 -0.01173 0.00808 -0.00054 0.00031 19 2S -0.06133 -0.33204 -0.05921 -0.08530 0.04686 20 2PX -0.03100 -0.04515 0.02103 -0.05788 0.01283 21 2PY -0.04197 -0.10037 -0.08220 0.17758 0.07771 22 2PZ -0.02363 0.00541 0.01661 -0.05959 0.00764 23 3S -0.13803 0.61177 -0.13712 0.17759 -0.20487 24 3PX -0.05613 0.25410 -0.13884 0.34534 0.05868 25 3PY -0.15309 0.10515 0.10869 -0.33960 -0.04977 26 3PZ -0.19349 0.21516 -0.02355 0.46786 0.09407 27 4XX 0.01908 -0.15565 -0.20986 -0.10458 0.10928 28 4YY -0.03076 0.21573 0.20241 0.01480 -0.12287 29 4ZZ -0.00114 -0.14536 0.00754 0.05821 -0.00003 30 4XY 0.03811 -0.03265 0.01401 -0.09660 -0.19646 31 4XZ 0.06255 0.12713 -0.14356 -0.11622 0.04819 32 4YZ 0.01235 -0.14870 -0.00691 -0.15037 -0.20387 33 4 H 1S -0.10295 0.10255 0.07322 0.19710 0.17367 34 2S -0.07097 0.01802 -0.02618 0.03617 0.02151 35 5 C 1S -0.00129 -0.01173 0.00808 0.00054 0.00031 36 2S 0.06133 -0.33204 -0.05921 0.08530 0.04685 37 2PX 0.03100 -0.04515 0.02103 0.05788 0.01283 38 2PY -0.04197 0.10037 0.08220 0.17758 -0.07771 39 2PZ 0.02363 0.00542 0.01661 0.05960 0.00764 40 3S 0.13803 0.61176 -0.13712 -0.17760 -0.20486 41 3PX 0.05614 0.25410 -0.13884 -0.34534 0.05868 42 3PY -0.15310 -0.10516 -0.10869 -0.33958 0.04976 43 3PZ 0.19348 0.21516 -0.02355 -0.46787 0.09407 44 4XX -0.01908 -0.15565 -0.20986 0.10458 0.10928 45 4YY 0.03076 0.21572 0.20241 -0.01479 -0.12288 46 4ZZ 0.00114 -0.14535 0.00754 -0.05822 -0.00001 47 4XY 0.03811 0.03264 -0.01400 -0.09660 0.19646 48 4XZ -0.06255 0.12713 -0.14356 0.11622 0.04820 49 4YZ 0.01235 0.14871 0.00691 -0.15037 0.20387 50 6 H 1S 0.10295 0.10255 0.07322 -0.19710 0.17367 51 2S 0.07097 0.01802 -0.02618 -0.03617 0.02151 52 7 C 1S 0.00093 0.00089 -0.00047 -0.02238 0.00855 53 2S -0.06233 -0.07420 -0.00401 -0.45063 -0.14058 54 2PX -0.02045 0.03813 -0.06485 -0.04127 0.10329 55 2PY -0.06496 -0.02102 -0.06627 0.15546 0.12426 56 2PZ 0.04864 -0.01931 0.02262 -0.05146 0.06906 57 3S 0.27082 -0.14515 0.11409 1.31279 -0.14608 58 3PX 0.18401 0.20348 0.21455 -0.07912 -0.23949 59 3PY 0.21506 0.34600 -0.24189 0.16944 -0.17850 60 3PZ 0.03383 0.25694 -0.17266 0.13915 -0.16023 61 4XX 0.03811 -0.09738 0.18831 -0.25772 -0.00278 62 4YY -0.10528 -0.03103 -0.08181 0.40739 0.00070 63 4ZZ 0.08163 0.07858 -0.04247 -0.09327 -0.03742 64 4XY -0.04946 -0.01423 -0.29699 0.13396 0.06838 65 4XZ -0.01284 0.25138 -0.00998 -0.11375 0.09541 66 4YZ -0.07509 -0.04736 0.10414 -0.15464 0.06263 67 8 H 1S 0.00725 -0.00959 0.16428 -0.51594 0.04248 68 2S -0.15105 -0.14774 0.07188 -0.05852 0.06092 69 9 C 1S -0.03184 0.03101 0.00552 -0.00095 -0.01529 70 2S -0.31307 -0.12486 -0.24083 0.14944 -0.04542 71 2PX -0.03001 0.00926 -0.06669 0.02876 -0.05578 72 2PY -0.00274 -0.08246 -0.11088 0.10600 0.05541 73 2PZ 0.01178 0.02293 0.01412 -0.08720 0.03137 74 3S 1.12402 -0.29571 0.18969 -0.13731 0.32636 75 3PX 0.19262 -0.10234 -0.10180 -0.52028 0.16871 76 3PY 0.21092 0.29188 0.05763 -0.60682 -0.18188 77 3PZ -0.16976 -0.03765 0.05791 0.36517 -0.12842 78 4XX 0.01094 -0.29056 -0.00246 0.07564 0.10336 79 4YY 0.02395 0.32144 0.22705 0.05276 -0.18765 80 4ZZ -0.03323 -0.02363 -0.18631 -0.16032 0.08923 81 4XY -0.01934 0.13200 0.24605 -0.05121 0.00674 82 4XZ -0.06172 0.21214 -0.09436 -0.16625 -0.05263 83 4YZ -0.00766 0.04120 -0.01593 0.30073 0.03015 84 10 H 1S -0.09043 0.22363 -0.12164 -0.12724 -0.08423 85 2S 0.01337 -0.03390 -0.02113 -0.28872 0.07772 86 11 H 1S -0.12386 0.25385 0.17365 0.12589 -0.08076 87 2S -0.13144 -0.00156 -0.06386 -0.03142 -0.07969 88 12 C 1S 0.03184 0.03101 0.00552 0.00095 -0.01529 89 2S 0.31307 -0.12486 -0.24084 -0.14944 -0.04542 90 2PX 0.03001 0.00926 -0.06669 -0.02876 -0.05578 91 2PY -0.00274 0.08246 0.11088 0.10600 -0.05541 92 2PZ -0.01178 0.02293 0.01412 0.08720 0.03136 93 3S -1.12402 -0.29571 0.18970 0.13731 0.32637 94 3PX -0.19262 -0.10234 -0.10179 0.52028 0.16871 95 3PY 0.21092 -0.29188 -0.05763 -0.60681 0.18188 96 3PZ 0.16977 -0.03766 0.05791 -0.36519 -0.12841 97 4XX -0.01095 -0.29056 -0.00246 -0.07564 0.10336 98 4YY -0.02394 0.32144 0.22705 -0.05278 -0.18764 99 4ZZ 0.03323 -0.02363 -0.18631 0.16034 0.08923 100 4XY -0.01935 -0.13200 -0.24605 -0.05121 -0.00673 101 4XZ 0.06172 0.21213 -0.09437 0.16624 -0.05263 102 4YZ -0.00766 -0.04118 0.01595 0.30072 -0.03016 103 13 H 1S 0.09043 0.22363 -0.12164 0.12724 -0.08423 104 2S -0.01337 -0.03390 -0.02113 0.28872 0.07772 105 14 H 1S 0.12386 0.25385 0.17365 -0.12589 -0.08076 106 2S 0.13144 -0.00156 -0.06386 0.03142 -0.07969 107 15 C 1S 0.00000 -0.01995 0.01314 0.00000 -0.02277 108 2S 0.00000 -0.21822 0.13214 0.00000 -0.06184 109 2PX 0.00000 0.01872 0.04900 0.00000 -0.00809 110 2PY -0.04617 0.00000 0.00000 0.10076 0.00000 111 2PZ 0.00000 -0.00156 -0.00196 0.00000 -0.03358 112 3S 0.00000 0.83152 -0.80870 0.00000 0.47156 113 3PX 0.00000 -0.40629 0.51732 0.00000 0.37565 114 3PY -0.19170 0.00000 0.00000 -0.04592 0.00001 115 3PZ 0.00000 -0.04820 -0.11530 0.00000 -0.39530 116 4XX 0.00000 0.08994 0.10174 0.00000 0.28096 117 4YY 0.00000 -0.16363 -0.00984 0.00000 -0.30439 118 4ZZ 0.00000 0.09570 -0.09593 0.00000 0.02639 119 4XY 0.05573 0.00000 0.00000 0.16920 0.00000 120 4XZ 0.00000 0.10486 -0.11034 0.00000 -0.07875 121 4YZ 0.10778 -0.00001 0.00000 0.09153 -0.00001 122 16 C 1S -0.00835 0.01018 -0.00142 -0.01407 -0.00144 123 2S -0.12240 0.02902 0.13467 -0.13331 0.21262 124 2PX 0.01877 0.08764 -0.07046 0.06260 0.12017 125 2PY -0.18556 0.00127 -0.00901 0.04382 -0.02226 126 2PZ 0.02116 0.05422 -0.04893 -0.02415 0.07424 127 3S -0.22271 0.10011 -0.25629 0.61454 0.17062 128 3PX 0.07279 -0.01358 0.06503 0.08259 -0.17751 129 3PY -0.80631 -0.07328 -0.04019 -0.01431 -0.29353 130 3PZ -0.63138 0.06557 -0.25041 0.35355 -0.34385 131 4XX 0.00755 0.04177 -0.13782 -0.01658 -0.10778 132 4YY -0.04542 0.02475 0.08113 0.04658 0.10552 133 4ZZ 0.03297 -0.02751 0.00745 0.00818 -0.01179 134 4XY 0.27384 -0.03982 -0.00617 0.03153 0.09389 135 4XZ 0.17032 -0.17989 0.14914 -0.05889 -0.22167 136 4YZ 0.05622 -0.13135 0.22152 -0.02812 0.22533 137 17 C 1S 0.00835 0.01018 -0.00142 0.01407 -0.00144 138 2S 0.12240 0.02902 0.13467 0.13331 0.21263 139 2PX -0.01877 0.08764 -0.07046 -0.06260 0.12017 140 2PY -0.18556 -0.00127 0.00901 0.04382 0.02225 141 2PZ -0.02116 0.05422 -0.04893 0.02415 0.07424 142 3S 0.22271 0.10010 -0.25628 -0.61454 0.17060 143 3PX -0.07279 -0.01358 0.06503 -0.08259 -0.17751 144 3PY -0.80633 0.07328 0.04019 -0.01430 0.29354 145 3PZ 0.63135 0.06557 -0.25041 -0.35355 -0.34384 146 4XX -0.00755 0.04177 -0.13782 0.01658 -0.10778 147 4YY 0.04542 0.02474 0.08114 -0.04657 0.10553 148 4ZZ -0.03296 -0.02750 0.00743 -0.00818 -0.01180 149 4XY 0.27385 0.03982 0.00616 0.03153 -0.09388 150 4XZ -0.17031 -0.17989 0.14914 0.05889 -0.22167 151 4YZ 0.05622 0.13135 -0.22152 -0.02812 -0.22533 152 18 H 1S 0.00000 -0.05475 -0.13266 0.00000 -0.38088 153 2S 0.00000 0.06046 -0.06755 0.00000 -0.19193 154 19 H 1S -0.36614 0.12226 -0.22675 -0.01836 -0.25888 155 2S -0.35122 -0.04403 0.01586 0.05892 -0.19293 156 20 H 1S 0.36614 0.12226 -0.22676 0.01837 -0.25887 157 2S 0.35122 -0.04403 0.01586 -0.05892 -0.19293 158 21 H 1S 0.00000 -0.16466 0.21636 0.00000 0.02248 159 2S 0.00000 -0.10738 0.17348 0.00000 0.12473 160 22 O 1S -0.01508 0.01041 -0.01791 -0.01366 -0.01444 161 2S 0.01773 0.26986 -0.24374 0.03219 0.28885 162 2PX -0.00856 -0.05242 0.06140 0.03511 -0.05774 163 2PY -0.21167 -0.03269 0.02571 -0.07737 -0.09290 164 2PZ 0.05544 -0.00189 -0.07244 0.09212 -0.13617 165 3S 0.17658 -0.76155 0.83162 0.28196 -0.27689 166 3PX 0.05454 0.15220 -0.20870 -0.15321 -0.06852 167 3PY 0.29772 0.19188 -0.27847 0.07070 0.02793 168 3PZ -0.14137 -0.01414 0.20856 -0.18075 0.27656 169 4XX 0.07845 0.05579 -0.05238 -0.00808 -0.03657 170 4YY -0.44203 0.11111 -0.10663 -0.08119 0.07367 171 4ZZ 0.29940 -0.01672 0.01175 0.03816 0.05504 172 4XY -0.24520 -0.00656 0.11403 0.05717 0.15913 173 4XZ 0.17124 -0.00817 -0.07736 0.04330 -0.21506 174 4YZ -0.12699 0.06811 -0.13195 0.02412 -0.12391 175 23 O 1S 0.01508 0.01041 -0.01791 0.01366 -0.01444 176 2S -0.01773 0.26986 -0.24374 -0.03219 0.28885 177 2PX 0.00856 -0.05242 0.06140 -0.03511 -0.05774 178 2PY -0.21167 0.03269 -0.02571 -0.07736 0.09291 179 2PZ -0.05545 -0.00188 -0.07244 -0.09212 -0.13616 180 3S -0.17658 -0.76155 0.83163 -0.28196 -0.27690 181 3PX -0.05454 0.15220 -0.20870 0.15321 -0.06852 182 3PY 0.29771 -0.19188 0.27846 0.07069 -0.02794 183 3PZ 0.14138 -0.01415 0.20857 0.18075 0.27656 184 4XX -0.07845 0.05579 -0.05238 0.00808 -0.03657 185 4YY 0.44204 0.11111 -0.10664 0.08119 0.07366 186 4ZZ -0.29941 -0.01673 0.01176 -0.03816 0.05505 187 4XY -0.24519 0.00656 -0.11403 0.05717 -0.15912 188 4XZ -0.17124 -0.00817 -0.07736 -0.04329 -0.21507 189 4YZ -0.12696 -0.06811 0.13194 0.02413 0.12391 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98100 2.00053 2.01936 2.04161 1 1 C 1S -0.02230 -0.02595 -0.01443 -0.00221 -0.00016 2 2S -0.24270 -0.16095 -0.71206 0.00290 -0.31262 3 2PX -0.03023 0.00231 0.05456 0.04535 -0.01674 4 2PY -0.04142 0.00825 -0.15629 -0.01491 -0.08938 5 2PZ 0.06703 0.13082 0.08261 0.04349 -0.02948 6 3S 0.70943 0.77051 1.44883 -0.11350 0.58145 7 3PX 0.14780 0.12425 -0.01447 -0.00478 -0.12302 8 3PY -0.17856 0.01849 0.63525 -0.17836 0.64185 9 3PZ -0.23348 -0.47821 -0.12678 -0.17873 0.01693 10 4XX 0.02417 0.15918 0.02136 -0.03446 0.00175 11 4YY 0.19619 0.07385 -0.15622 0.05901 -0.07029 12 4ZZ -0.19991 -0.23589 0.14203 -0.05447 0.11679 13 4XY -0.03896 0.02467 -0.10303 0.07687 0.00344 14 4XZ -0.01649 -0.02119 0.03524 0.07355 -0.00936 15 4YZ -0.14591 -0.26612 -0.05089 -0.06666 -0.00897 16 2 H 1S -0.26678 -0.11509 0.07303 -0.05702 0.14409 17 2S -0.08904 -0.06309 0.06739 -0.07640 0.16290 18 3 C 1S 0.00028 0.00209 0.01314 -0.00284 0.01247 19 2S -0.16796 -0.20959 0.04724 -0.06062 0.08290 20 2PX -0.04690 -0.07248 -0.00712 -0.02301 0.00574 21 2PY -0.10004 -0.07529 0.11702 0.01904 0.06558 22 2PZ -0.04763 -0.07100 0.05054 0.02869 0.03876 23 3S 0.34268 0.16232 -0.65712 0.06074 -0.45306 24 3PX -0.01810 -0.05762 -0.13781 0.11145 -0.18135 25 3PY 0.37197 0.35498 -0.05234 0.05175 -0.10231 26 3PZ 0.00183 -0.00195 -0.09378 0.08007 -0.20339 27 4XX 0.05188 0.02196 0.08299 0.06099 0.03498 28 4YY -0.05918 -0.07523 -0.10640 -0.08431 -0.02091 29 4ZZ 0.01064 0.04646 0.05040 0.04572 0.01064 30 4XY 0.10890 0.11687 -0.24333 -0.02834 -0.07990 31 4XZ 0.10142 0.07894 -0.08636 0.00258 -0.14119 32 4YZ 0.01630 -0.05085 -0.32333 -0.08112 -0.12300 33 4 H 1S -0.09564 -0.05853 0.30284 0.06129 0.12977 34 2S 0.06149 0.04411 -0.07929 0.02732 -0.10686 35 5 C 1S -0.00028 -0.00209 0.01314 -0.00284 0.01247 36 2S 0.16796 0.20959 0.04723 -0.06062 0.08290 37 2PX 0.04690 0.07248 -0.00712 -0.02301 0.00574 38 2PY -0.10004 -0.07530 -0.11702 -0.01904 -0.06558 39 2PZ 0.04763 0.07100 0.05054 0.02869 0.03876 40 3S -0.34268 -0.16232 -0.65711 0.06074 -0.45305 41 3PX 0.01810 0.05762 -0.13781 0.11145 -0.18135 42 3PY 0.37197 0.35498 0.05234 -0.05175 0.10232 43 3PZ -0.00182 0.00197 -0.09378 0.08007 -0.20338 44 4XX -0.05187 -0.02195 0.08299 0.06099 0.03498 45 4YY 0.05917 0.07524 -0.10642 -0.08432 -0.02092 46 4ZZ -0.01064 -0.04647 0.05043 0.04572 0.01065 47 4XY 0.10891 0.11688 0.24333 0.02834 0.07990 48 4XZ -0.10142 -0.07894 -0.08635 0.00258 -0.14119 49 4YZ 0.01630 -0.05084 0.32333 0.08111 0.12300 50 6 H 1S 0.09564 0.05853 0.30284 0.06129 0.12977 51 2S -0.06149 -0.04411 -0.07929 0.02732 -0.10686 52 7 C 1S 0.02230 0.02595 -0.01443 -0.00221 -0.00016 53 2S 0.24270 0.16094 -0.71206 0.00290 -0.31262 54 2PX 0.03024 -0.00231 0.05457 0.04535 -0.01674 55 2PY -0.04142 0.00826 0.15629 0.01491 0.08938 56 2PZ -0.06703 -0.13082 0.08261 0.04349 -0.02947 57 3S -0.70943 -0.77051 1.44884 -0.11350 0.58145 58 3PX -0.14780 -0.12425 -0.01447 -0.00478 -0.12302 59 3PY -0.17857 0.01847 -0.63524 0.17836 -0.64185 60 3PZ 0.23347 0.47821 -0.12681 -0.17872 0.01690 61 4XX -0.02417 -0.15918 0.02136 -0.03446 0.00175 62 4YY -0.19618 -0.07384 -0.15622 0.05900 -0.07029 63 4ZZ 0.19990 0.23588 0.14204 -0.05447 0.11679 64 4XY -0.03896 0.02467 0.10303 -0.07687 -0.00344 65 4XZ 0.01649 0.02120 0.03525 0.07355 -0.00936 66 4YZ -0.14593 -0.26614 0.05088 0.06666 0.00897 67 8 H 1S 0.26678 0.11509 0.07303 -0.05702 0.14409 68 2S 0.08904 0.06309 0.06739 -0.07640 0.16290 69 9 C 1S -0.01808 -0.02107 0.01875 -0.00579 0.00656 70 2S 0.03418 0.17861 0.10119 -0.02130 -0.13109 71 2PX -0.02009 -0.00593 0.00916 -0.03796 0.01767 72 2PY -0.03377 -0.02582 0.06334 -0.02080 0.02104 73 2PZ -0.08579 -0.14554 0.05702 -0.00170 0.07405 74 3S 0.33494 0.09385 -0.61337 0.16367 -0.07778 75 3PX -0.13312 -0.39253 0.03464 -0.06052 0.12365 76 3PY 0.28677 0.07740 -0.01320 0.01469 -0.08599 77 3PZ 0.17645 0.39891 0.17282 -0.07512 0.00364 78 4XX -0.01359 0.06798 -0.03374 0.02154 -0.05661 79 4YY 0.04950 0.06914 -0.00805 -0.03811 0.05103 80 4ZZ -0.04401 -0.16863 0.06978 0.01607 0.03164 81 4XY -0.18350 -0.21495 0.05195 0.10339 -0.03723 82 4XZ -0.09320 -0.20593 0.01153 -0.03187 0.00577 83 4YZ -0.08438 0.00973 0.10401 -0.04267 0.13144 84 10 H 1S -0.08645 -0.16876 0.05733 -0.08965 0.07405 85 2S -0.02176 -0.12241 0.03645 0.02515 0.02164 86 11 H 1S -0.00115 0.01226 0.10613 0.03098 0.01853 87 2S -0.01109 0.11442 0.02927 0.04752 -0.10342 88 12 C 1S 0.01808 0.02107 0.01875 -0.00579 0.00656 89 2S -0.03418 -0.17861 0.10119 -0.02130 -0.13109 90 2PX 0.02008 0.00593 0.00916 -0.03796 0.01767 91 2PY -0.03377 -0.02583 -0.06334 0.02080 -0.02104 92 2PZ 0.08579 0.14554 0.05701 -0.00170 0.07405 93 3S -0.33494 -0.09385 -0.61337 0.16367 -0.07778 94 3PX 0.13312 0.39253 0.03464 -0.06052 0.12365 95 3PY 0.28678 0.07742 0.01319 -0.01469 0.08599 96 3PZ -0.17644 -0.39891 0.17282 -0.07512 0.00364 97 4XX 0.01359 -0.06798 -0.03374 0.02154 -0.05661 98 4YY -0.04949 -0.06914 -0.00804 -0.03812 0.05104 99 4ZZ 0.04401 0.16863 0.06977 0.01608 0.03163 100 4XY -0.18350 -0.21496 -0.05195 -0.10339 0.03723 101 4XZ 0.09319 0.20592 0.01153 -0.03187 0.00577 102 4YZ -0.08438 0.00972 -0.10402 0.04267 -0.13144 103 13 H 1S 0.08645 0.16876 0.05733 -0.08965 0.07405 104 2S 0.02176 0.12241 0.03645 0.02515 0.02164 105 14 H 1S 0.00115 -0.01226 0.10613 0.03098 0.01853 106 2S 0.01108 -0.11442 0.02927 0.04752 -0.10342 107 15 C 1S 0.00000 0.00000 0.03154 -0.02235 -0.03146 108 2S 0.00000 0.00000 0.08919 0.02833 -0.02696 109 2PX 0.00000 0.00000 0.09463 -0.04566 -0.12538 110 2PY 0.29485 -0.17770 0.00000 0.00000 0.00000 111 2PZ 0.00001 0.00000 0.03846 -0.15601 -0.01710 112 3S 0.00000 0.00000 -0.97378 0.82066 0.86564 113 3PX 0.00000 0.00000 0.03278 0.54387 -0.39835 114 3PY -0.16776 0.13942 0.00000 0.00001 -0.00001 115 3PZ -0.00001 0.00000 0.15116 -0.47335 0.46220 116 4XX 0.00000 0.00000 -0.04339 0.31216 -0.24932 117 4YY -0.00002 0.00001 0.15800 -0.06864 -0.06590 118 4ZZ 0.00001 -0.00001 -0.12886 -0.19921 0.34013 119 4XY 0.39407 -0.32188 0.00000 0.00000 0.00001 120 4XZ 0.00001 -0.00001 0.10998 -0.11673 -0.35838 121 4YZ 0.41357 -0.29997 0.00001 0.00000 -0.00001 122 16 C 1S 0.01320 0.01668 0.00849 0.00491 0.00219 123 2S 0.43666 0.27311 -0.04404 0.16488 0.30805 124 2PX -0.00904 -0.12700 -0.12061 -0.04872 -0.03440 125 2PY 0.04933 -0.03932 -0.09402 0.20070 0.19561 126 2PZ 0.08658 -0.02031 -0.04852 0.05658 -0.01689 127 3S -1.15801 -1.15822 -0.52509 -0.20962 -0.08173 128 3PX 0.05031 0.25883 0.27728 0.15641 0.01626 129 3PY -0.20579 0.00753 0.39399 -0.09590 -0.43794 130 3PZ -0.30744 -0.17049 0.07130 0.09124 -0.23707 131 4XX -0.08868 -0.08124 -0.09518 0.33025 0.02764 132 4YY 0.07853 -0.05437 0.18179 -0.35611 -0.29923 133 4ZZ 0.00885 0.07442 -0.14908 0.05711 0.28466 134 4XY -0.12894 -0.00564 -0.07233 -0.12478 0.02146 135 4XZ -0.08486 0.09626 0.23356 0.06521 0.17924 136 4YZ 0.01990 0.02357 -0.11064 -0.25484 0.18338 137 17 C 1S -0.01320 -0.01668 0.00849 0.00491 0.00219 138 2S -0.43666 -0.27311 -0.04404 0.16488 0.30805 139 2PX 0.00904 0.12700 -0.12061 -0.04872 -0.03440 140 2PY 0.04933 -0.03932 0.09403 -0.20070 -0.19561 141 2PZ -0.08658 0.02031 -0.04852 0.05657 -0.01690 142 3S 1.15802 1.15822 -0.52510 -0.20962 -0.08172 143 3PX -0.05031 -0.25883 0.27728 0.15641 0.01627 144 3PY -0.20580 0.00752 -0.39399 0.09590 0.43794 145 3PZ 0.30743 0.17049 0.07128 0.09124 -0.23705 146 4XX 0.08868 0.08124 -0.09518 0.33025 0.02764 147 4YY -0.07853 0.05437 0.18178 -0.35613 -0.29921 148 4ZZ -0.00885 -0.07442 -0.14907 0.05713 0.28464 149 4XY -0.12895 -0.00564 0.07233 0.12478 -0.02147 150 4XZ 0.08485 -0.09626 0.23356 0.06521 0.17924 151 4YZ 0.01989 0.02358 0.11066 0.25482 -0.18340 152 18 H 1S 0.00000 0.00000 0.16955 -0.50492 0.10694 153 2S 0.00000 0.00000 0.13287 -0.24566 0.04505 154 19 H 1S 0.09542 0.07603 0.16448 0.28137 -0.27933 155 2S -0.05023 0.07047 0.21021 -0.03578 -0.09316 156 20 H 1S -0.09543 -0.07603 0.16448 0.28137 -0.27933 157 2S 0.05023 -0.07047 0.21021 -0.03578 -0.09316 158 21 H 1S 0.00000 0.00000 0.21904 0.19763 -0.60096 159 2S 0.00000 0.00000 0.00904 0.03175 -0.13657 160 22 O 1S -0.00905 0.01996 -0.00315 0.02233 0.00280 161 2S 0.28695 0.06969 -0.39936 0.05197 0.17506 162 2PX 0.11841 -0.16846 0.06284 0.24745 0.05469 163 2PY -0.16590 0.14772 0.06931 -0.00237 -0.03520 164 2PZ 0.14196 -0.09005 0.01790 0.08272 0.12262 165 3S -0.50313 -0.48082 0.83425 -0.45856 -0.38147 166 3PX -0.01734 0.37154 -0.07072 -0.42622 -0.07596 167 3PY 0.19429 -0.08757 -0.17941 0.20342 0.08810 168 3PZ -0.14292 0.15415 0.01045 -0.01464 -0.29301 169 4XX 0.05320 -0.08540 0.01655 -0.09480 0.10441 170 4YY 0.00479 0.19264 -0.13280 -0.01320 0.09065 171 4ZZ 0.03991 -0.03376 -0.04856 0.18360 -0.14722 172 4XY 0.19200 -0.03902 -0.06285 0.26874 -0.02666 173 4XZ -0.04014 0.11372 0.08628 0.02813 -0.01746 174 4YZ 0.14799 -0.09426 -0.06433 -0.06513 0.22756 175 23 O 1S 0.00905 -0.01996 -0.00315 0.02233 0.00280 176 2S -0.28695 -0.06969 -0.39936 0.05197 0.17506 177 2PX -0.11841 0.16846 0.06284 0.24745 0.05469 178 2PY -0.16590 0.14771 -0.06931 0.00237 0.03519 179 2PZ -0.14197 0.09006 0.01790 0.08271 0.12262 180 3S 0.50313 0.48082 0.83425 -0.45856 -0.38147 181 3PX 0.01734 -0.37154 -0.07072 -0.42622 -0.07596 182 3PY 0.19428 -0.08756 0.17941 -0.20342 -0.08809 183 3PZ 0.14293 -0.15416 0.01045 -0.01464 -0.29301 184 4XX -0.05320 0.08541 0.01655 -0.09480 0.10441 185 4YY -0.00480 -0.19264 -0.13280 -0.01321 0.09066 186 4ZZ -0.03990 0.03375 -0.04856 0.18360 -0.14723 187 4XY 0.19200 -0.03901 0.06285 -0.26874 0.02667 188 4XZ 0.04015 -0.11372 0.08628 0.02812 -0.01746 189 4YZ 0.14800 -0.09427 0.06433 0.06512 -0.22755 146 147 148 149 150 V V V V V Eigenvalues -- 2.08890 2.12023 2.14082 2.16018 2.23013 1 1 C 1S -0.00633 -0.00565 -0.00622 0.00599 0.00036 2 2S -0.02737 -0.18578 0.02849 -0.13031 -0.16851 3 2PX 0.11304 -0.10394 0.02679 -0.00506 0.01199 4 2PY 0.01544 0.04338 0.03271 -0.07843 -0.03850 5 2PZ 0.21725 -0.01087 0.02862 -0.00451 -0.02002 6 3S -0.13328 0.69388 0.20421 -0.00852 0.26059 7 3PX 0.16402 0.42049 -0.44397 0.05236 -0.04419 8 3PY -0.18450 0.14836 0.35746 0.25352 0.29812 9 3PZ -0.09349 -0.06934 0.07508 -0.06427 0.18478 10 4XX 0.19722 0.22893 0.08155 0.02944 0.14376 11 4YY -0.02411 -0.09732 -0.17605 0.06598 -0.14414 12 4ZZ -0.20290 -0.06124 0.12671 -0.07185 0.00862 13 4XY 0.04155 0.27308 -0.16211 0.11539 -0.07005 14 4XZ 0.10177 -0.19420 -0.08321 0.06197 0.02308 15 4YZ -0.09037 0.06869 0.09289 -0.05997 0.00259 16 2 H 1S 0.01164 0.04469 0.16798 0.02307 0.12664 17 2S -0.10629 -0.06173 0.15017 0.08949 0.03823 18 3 C 1S -0.02419 0.00766 0.00694 0.00305 -0.00496 19 2S -0.50742 0.37216 -0.10815 0.03795 0.03590 20 2PX -0.05221 0.14155 -0.00790 0.00349 -0.00815 21 2PY -0.16456 0.05262 -0.06211 0.02747 0.07309 22 2PZ -0.06286 0.11548 -0.02159 0.00765 -0.03322 23 3S 0.61329 -0.94823 -0.34990 -0.08708 -0.28720 24 3PX 0.36102 -0.37276 -0.04507 -0.05101 0.09296 25 3PY 0.22664 -0.32685 0.19176 -0.08947 -0.22227 26 3PZ 0.36927 -0.32232 -0.14564 0.00208 -0.13499 27 4XX -0.07833 0.04203 0.05232 -0.01360 0.09959 28 4YY 0.24077 0.11405 0.18201 -0.03692 0.03300 29 4ZZ -0.22866 -0.11387 -0.25461 0.06723 -0.18379 30 4XY -0.17200 0.08369 -0.04910 -0.05173 0.09620 31 4XZ 0.21382 -0.18805 -0.15467 0.01424 0.06081 32 4YZ -0.07716 -0.08036 0.00156 -0.06114 -0.18873 33 4 H 1S 0.09192 0.09760 0.14131 0.02320 0.04706 34 2S 0.12195 -0.14750 -0.03590 -0.01534 -0.05366 35 5 C 1S -0.02419 -0.00766 0.00694 0.00305 0.00496 36 2S -0.50743 -0.37216 -0.10815 0.03795 -0.03590 37 2PX -0.05221 -0.14155 -0.00790 0.00349 0.00815 38 2PY 0.16457 0.05263 0.06211 -0.02747 0.07308 39 2PZ -0.06286 -0.11548 -0.02159 0.00765 0.03322 40 3S 0.61330 0.94823 -0.34989 -0.08707 0.28720 41 3PX 0.36102 0.37276 -0.04507 -0.05100 -0.09296 42 3PY -0.22666 -0.32686 -0.19176 0.08947 -0.22228 43 3PZ 0.36926 0.32231 -0.14565 0.00208 0.13498 44 4XX -0.07833 -0.04203 0.05232 -0.01360 -0.09959 45 4YY 0.24076 -0.11405 0.18201 -0.03693 -0.03299 46 4ZZ -0.22865 0.11386 -0.25461 0.06723 0.18378 47 4XY 0.17199 0.08368 0.04911 0.05173 0.09621 48 4XZ 0.21383 0.18805 -0.15467 0.01424 -0.06081 49 4YZ 0.07718 -0.08037 -0.00154 0.06114 -0.18874 50 6 H 1S 0.09192 -0.09760 0.14131 0.02320 -0.04706 51 2S 0.12195 0.14750 -0.03590 -0.01534 0.05366 52 7 C 1S -0.00633 0.00565 -0.00622 0.00599 -0.00036 53 2S -0.02737 0.18578 0.02850 -0.13031 0.16852 54 2PX 0.11304 0.10394 0.02679 -0.00506 -0.01199 55 2PY -0.01545 0.04338 -0.03271 0.07843 -0.03850 56 2PZ 0.21725 0.01087 0.02862 -0.00450 0.02001 57 3S -0.13329 -0.69389 0.20420 -0.00853 -0.26059 58 3PX 0.16402 -0.42049 -0.44397 0.05236 0.04419 59 3PY 0.18451 0.14836 -0.35746 -0.25351 0.29812 60 3PZ -0.09348 0.06935 0.07506 -0.06428 -0.18477 61 4XX 0.19722 -0.22893 0.08155 0.02944 -0.14376 62 4YY -0.02411 0.09732 -0.17604 0.06598 0.14414 63 4ZZ -0.20289 0.06125 0.12670 -0.07184 -0.00862 64 4XY -0.04156 0.27307 0.16211 -0.11539 -0.07005 65 4XZ 0.10177 0.19421 -0.08320 0.06196 -0.02308 66 4YZ 0.09038 0.06870 -0.09290 0.05998 0.00259 67 8 H 1S 0.01164 -0.04469 0.16798 0.02307 -0.12664 68 2S -0.10630 0.06173 0.15017 0.08949 -0.03823 69 9 C 1S -0.00783 -0.01015 0.01554 -0.01200 0.00445 70 2S 0.42786 -0.26081 -0.19534 -0.04656 0.11303 71 2PX -0.01440 0.00896 0.02597 -0.02388 0.03456 72 2PY 0.12059 -0.03423 -0.08261 0.03317 0.02767 73 2PZ -0.09782 0.05371 0.09489 0.00015 -0.00957 74 3S -0.16624 0.44309 -0.12614 0.24004 -0.51337 75 3PX 0.06199 -0.09136 0.57240 -0.00768 -0.04668 76 3PY -0.21699 0.15917 0.09724 -0.15056 -0.11296 77 3PZ 0.33241 -0.00015 -0.17829 0.01218 0.03832 78 4XX 0.41126 0.14024 0.15278 0.01576 -0.12126 79 4YY -0.21632 -0.07215 0.17033 -0.06570 0.01471 80 4ZZ -0.24211 -0.03000 -0.24557 0.02990 0.07164 81 4XY -0.00440 0.13828 -0.42627 0.10247 -0.10178 82 4XZ 0.03474 0.05560 0.17090 -0.01766 0.12123 83 4YZ -0.15236 -0.13880 0.07754 0.04707 0.00662 84 10 H 1S -0.10240 -0.12158 0.36350 -0.08165 0.12645 85 2S -0.02391 0.01787 0.17093 -0.01683 -0.05209 86 11 H 1S -0.21129 -0.04518 -0.40546 0.05435 0.05613 87 2S -0.06025 -0.05266 0.02611 -0.15342 0.00851 88 12 C 1S -0.00783 0.01015 0.01554 -0.01200 -0.00445 89 2S 0.42787 0.26080 -0.19534 -0.04656 -0.11303 90 2PX -0.01440 -0.00896 0.02597 -0.02388 -0.03456 91 2PY -0.12058 -0.03422 0.08260 -0.03317 0.02767 92 2PZ -0.09783 -0.05371 0.09490 0.00015 0.00957 93 3S -0.16624 -0.44308 -0.12614 0.24004 0.51337 94 3PX 0.06199 0.09136 0.57240 -0.00769 0.04668 95 3PY 0.21698 0.15917 -0.09724 0.15056 -0.11296 96 3PZ 0.33242 0.00015 -0.17829 0.01218 -0.03832 97 4XX 0.41126 -0.14024 0.15278 0.01576 0.12126 98 4YY -0.21633 0.07216 0.17034 -0.06570 -0.01471 99 4ZZ -0.24210 0.02999 -0.24558 0.02990 -0.07164 100 4XY 0.00440 0.13828 0.42626 -0.10247 -0.10177 101 4XZ 0.03474 -0.05559 0.17091 -0.01766 -0.12123 102 4YZ 0.15236 -0.13879 -0.07752 -0.04708 0.00662 103 13 H 1S -0.10240 0.12158 0.36350 -0.08165 -0.12645 104 2S -0.02391 -0.01787 0.17093 -0.01683 0.05209 105 14 H 1S -0.21129 0.04518 -0.40546 0.05435 -0.05613 106 2S -0.06025 0.05266 0.02611 -0.15342 -0.00851 107 15 C 1S 0.00180 0.00000 -0.00353 -0.02379 0.00000 108 2S -0.06291 0.00000 0.11864 -0.54527 0.00000 109 2PX 0.01951 0.00000 -0.08053 0.08814 0.00000 110 2PY 0.00000 0.09743 0.00000 0.00000 0.02690 111 2PZ 0.00598 0.00000 -0.03115 0.05961 0.00000 112 3S 0.19900 0.00000 -0.19468 0.89132 0.00000 113 3PX -0.36939 0.00000 0.56805 -0.79474 0.00000 114 3PY -0.00001 -0.07223 0.00001 0.00001 0.03458 115 3PZ 0.29285 0.00000 -0.40706 -0.46842 0.00000 116 4XX -0.07066 0.00000 0.01215 -0.37023 0.00000 117 4YY 0.05355 0.00000 0.04686 0.32818 -0.00001 118 4ZZ 0.04978 0.00000 -0.10218 0.04618 0.00001 119 4XY 0.00000 0.05180 0.00000 -0.00001 -0.49487 120 4XZ -0.07278 0.00000 0.18020 0.59061 -0.00001 121 4YZ 0.00000 0.11397 0.00000 0.00001 0.43026 122 16 C 1S 0.00261 0.00050 0.00372 0.02931 0.00925 123 2S 0.02986 0.33174 0.22735 0.49890 0.01137 124 2PX -0.07175 -0.14979 -0.01852 0.01354 -0.02894 125 2PY -0.00540 0.00770 0.11569 0.20713 -0.07007 126 2PZ -0.04594 0.02247 0.03374 0.07226 -0.00200 127 3S -0.18255 -1.23178 -0.07184 -0.52655 -0.67158 128 3PX 0.23760 0.15639 -0.08351 -0.35554 -0.19275 129 3PY 0.15420 -0.12910 -0.30740 -0.47153 -0.42103 130 3PZ 0.20148 -0.63357 -0.20193 -0.40936 -0.26721 131 4XX 0.01389 -0.06105 0.04917 -0.15267 0.09910 132 4YY -0.04356 0.01536 -0.10324 -0.22265 -0.06342 133 4ZZ 0.02233 -0.09787 0.03675 0.42236 -0.03409 134 4XY -0.05158 -0.05827 0.05421 0.03060 -0.19491 135 4XZ 0.02504 0.41784 -0.01227 -0.16803 -0.07734 136 4YZ -0.04529 0.00708 0.01936 0.00810 0.34121 137 17 C 1S 0.00261 -0.00050 0.00372 0.02931 -0.00925 138 2S 0.02986 -0.33174 0.22735 0.49890 -0.01137 139 2PX -0.07174 0.14979 -0.01852 0.01354 0.02894 140 2PY 0.00541 0.00770 -0.11569 -0.20713 -0.07006 141 2PZ -0.04594 -0.02247 0.03373 0.07225 0.00200 142 3S -0.18254 1.23178 -0.07184 -0.52655 0.67158 143 3PX 0.23760 -0.15639 -0.08351 -0.35554 0.19275 144 3PY -0.15421 -0.12912 0.30740 0.47154 -0.42104 145 3PZ 0.20147 0.63356 -0.20192 -0.40935 0.26719 146 4XX 0.01389 0.06105 0.04917 -0.15267 -0.09910 147 4YY -0.04357 -0.01536 -0.10324 -0.22265 0.06340 148 4ZZ 0.02233 0.09787 0.03675 0.42236 0.03412 149 4XY 0.05158 -0.05826 -0.05420 -0.03059 -0.19492 150 4XZ 0.02504 -0.41784 -0.01227 -0.16803 0.07734 151 4YZ 0.04529 0.00708 -0.01937 -0.00812 0.34121 152 18 H 1S 0.11011 0.00000 -0.08746 0.37363 0.00000 153 2S 0.14949 0.00000 -0.26591 0.05210 0.00000 154 19 H 1S 0.09716 -0.04064 -0.07802 -0.13448 -0.14450 155 2S 0.15449 -0.04301 -0.09119 -0.18503 -0.08745 156 20 H 1S 0.09716 0.04064 -0.07802 -0.13448 0.14451 157 2S 0.15449 0.04301 -0.09119 -0.18503 0.08745 158 21 H 1S -0.18803 0.00000 0.31885 0.05092 0.00000 159 2S -0.11899 0.00000 0.06770 0.04131 0.00000 160 22 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 161 2S 0.02727 0.40728 -0.09765 -0.16425 0.09727 162 2PX 0.02098 -0.12335 0.01850 -0.10026 -0.04297 163 2PY -0.00428 -0.11675 0.03763 0.13013 -0.01734 164 2PZ 0.04385 -0.05930 -0.05922 -0.07366 0.06358 165 3S -0.25990 -0.82599 0.30544 0.11057 -0.36322 166 3PX 0.03710 0.33796 -0.15691 -0.05100 0.24579 167 3PY 0.11362 0.20458 -0.14646 -0.09934 0.13453 168 3PZ -0.12576 0.09405 0.17302 -0.12518 -0.17419 169 4XX 0.13470 0.00350 -0.09131 -0.21679 0.11196 170 4YY 0.02523 0.08760 -0.06109 0.01738 0.00472 171 4ZZ -0.12158 0.04413 0.11963 0.19797 -0.08558 172 4XY -0.09786 0.02210 0.15996 -0.00520 -0.29772 173 4XZ 0.04816 -0.06931 -0.03873 0.05675 0.05771 174 4YZ 0.09332 0.01360 -0.10208 -0.01136 0.24721 175 23 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00637 176 2S 0.02727 -0.40728 -0.09765 -0.16425 -0.09727 177 2PX 0.02098 0.12335 0.01850 -0.10026 0.04297 178 2PY 0.00427 -0.11675 -0.03763 -0.13013 -0.01734 179 2PZ 0.04386 0.05929 -0.05922 -0.07367 -0.06358 180 3S -0.25989 0.82599 0.30544 0.11057 0.36321 181 3PX 0.03710 -0.33796 -0.15691 -0.05100 -0.24579 182 3PY -0.11361 0.20459 0.14646 0.09935 0.13452 183 3PZ -0.12576 -0.09404 0.17302 -0.12518 0.17420 184 4XX 0.13470 -0.00351 -0.09131 -0.21679 -0.11197 185 4YY 0.02523 -0.08760 -0.06110 0.01738 -0.00474 186 4ZZ -0.12159 -0.04413 0.11964 0.19797 0.08560 187 4XY 0.09786 0.02209 -0.15996 0.00520 -0.29772 188 4XZ 0.04816 0.06931 -0.03874 0.05675 -0.05772 189 4YZ -0.09331 0.01360 0.10207 0.01135 0.24721 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26202 2.27992 2.29193 2.30960 1 1 C 1S -0.00560 0.03001 -0.00758 0.00579 0.01776 2 2S -0.15853 0.63356 -0.02569 0.14941 0.21061 3 2PX -0.02934 0.06889 0.00081 0.06012 0.14273 4 2PY -0.01443 0.11309 0.00626 -0.00794 -0.01614 5 2PZ -0.04412 0.04558 -0.00845 0.01416 0.14962 6 3S 0.43804 -2.75585 0.11671 -1.10512 -1.60983 7 3PX 0.19213 0.53713 0.00387 -0.18807 -0.05141 8 3PY -0.15382 -1.82987 0.18154 -0.50772 -0.87222 9 3PZ -0.23942 -0.43087 -0.01548 0.01500 -0.25094 10 4XX -0.18970 -0.06231 -0.12260 0.13262 0.09676 11 4YY 0.33466 0.21223 -0.07659 -0.03795 -0.09348 12 4ZZ -0.11984 -0.24619 0.19518 -0.14479 -0.08894 13 4XY 0.27581 0.29431 -0.03575 -0.05679 -0.13915 14 4XZ 0.10745 0.20837 -0.09796 0.04913 0.20222 15 4YZ -0.11969 -0.14944 -0.08358 0.22455 -0.12032 16 2 H 1S -0.24481 -0.21671 0.06734 -0.00605 0.01333 17 2S -0.10033 -0.41335 0.06027 -0.08671 -0.18091 18 3 C 1S 0.00533 -0.02239 0.00026 -0.01258 -0.02773 19 2S 0.29614 -0.28953 -0.03804 -0.16980 -0.54330 20 2PX 0.06238 0.02092 -0.01860 0.03332 -0.11271 21 2PY 0.06912 0.02390 -0.03764 0.04657 0.05123 22 2PZ 0.07944 -0.02842 0.01441 -0.04470 -0.11646 23 3S -0.32334 3.02107 -0.05370 1.28827 2.45110 24 3PX -0.23262 0.87991 -0.07260 0.80659 1.07160 25 3PY -0.03560 1.01098 0.01018 0.62312 0.85854 26 3PZ -0.03719 1.37669 -0.03868 0.43863 0.91838 27 4XX -0.14066 -0.20806 -0.13595 0.32769 0.16273 28 4YY -0.15658 0.06695 0.10492 0.06423 -0.03674 29 4ZZ 0.28943 0.20348 0.00994 -0.34035 -0.12971 30 4XY 0.02784 0.01992 0.03288 0.34214 0.02195 31 4XZ -0.10422 0.02017 -0.02593 0.00212 0.17963 32 4YZ -0.08140 -0.06063 -0.05744 -0.30635 -0.22911 33 4 H 1S 0.03566 0.08597 0.01520 0.16543 0.11656 34 2S -0.05434 0.44754 -0.03305 0.25736 0.33530 35 5 C 1S 0.00533 0.02239 0.00026 0.01258 0.02773 36 2S 0.29615 0.28952 -0.03803 0.16980 0.54329 37 2PX 0.06238 -0.02092 -0.01860 -0.03332 0.11271 38 2PY -0.06913 0.02390 0.03764 0.04657 0.05123 39 2PZ 0.07944 0.02842 0.01441 0.04470 0.11646 40 3S -0.32340 -3.02107 -0.05372 -1.28827 -2.45109 41 3PX -0.23263 -0.87990 -0.07261 -0.80659 -1.07160 42 3PY 0.03562 1.01103 -0.01017 0.62313 0.85857 43 3PZ -0.03722 -1.37665 -0.03869 -0.43861 -0.91834 44 4XX -0.14066 0.20806 -0.13595 -0.32769 -0.16274 45 4YY -0.15659 -0.06694 0.10492 -0.06421 0.03676 46 4ZZ 0.28943 -0.20349 0.00995 0.34033 0.12970 47 4XY -0.02783 0.01992 -0.03288 0.34214 0.02195 48 4XZ -0.10422 -0.02017 -0.02593 -0.00211 -0.17963 49 4YZ 0.08138 -0.06062 0.05744 -0.30637 -0.22911 50 6 H 1S 0.03565 -0.08597 0.01520 -0.16543 -0.11656 51 2S -0.05435 -0.44754 -0.03306 -0.25736 -0.33530 52 7 C 1S -0.00560 -0.03001 -0.00758 -0.00579 -0.01776 53 2S -0.15855 -0.63356 -0.02569 -0.14941 -0.21061 54 2PX -0.02934 -0.06888 0.00081 -0.06012 -0.14273 55 2PY 0.01444 0.11309 -0.00626 -0.00794 -0.01614 56 2PZ -0.04412 -0.04557 -0.00845 -0.01416 -0.14962 57 3S 0.43810 2.75585 0.11672 1.10512 1.60982 58 3PX 0.19212 -0.53713 0.00387 0.18807 0.05142 59 3PY 0.15379 -1.82989 -0.18154 -0.50772 -0.87223 60 3PZ -0.23941 0.43080 -0.01549 -0.01502 0.25091 61 4XX -0.18969 0.06231 -0.12260 -0.13262 -0.09677 62 4YY 0.33465 -0.21223 -0.07660 0.03794 0.09348 63 4ZZ -0.11982 0.24619 0.19519 0.14481 0.08894 64 4XY -0.27581 0.29433 0.03575 -0.05679 -0.13914 65 4XZ 0.10743 -0.20836 -0.09796 -0.04913 -0.20223 66 4YZ 0.11971 -0.14946 0.08357 0.22454 -0.12032 67 8 H 1S -0.24481 0.21672 0.06734 0.00605 -0.01333 68 2S -0.10032 0.41335 0.06028 0.08671 0.18091 69 9 C 1S -0.00902 -0.04518 -0.00308 -0.00478 0.00360 70 2S -0.01603 -0.23768 -0.13679 -0.32483 0.38957 71 2PX 0.04409 -0.02990 -0.02810 -0.03936 0.02854 72 2PY -0.02304 0.00246 0.01279 -0.05412 0.02506 73 2PZ -0.00965 -0.12405 0.05871 0.04417 -0.13813 74 3S 0.07805 2.46505 0.15428 0.95037 -0.09736 75 3PX -0.00323 -0.42901 0.12916 0.40360 -0.46772 76 3PY 0.03186 0.59303 -0.02650 0.00683 -0.10963 77 3PZ -0.13611 -0.41320 -0.03978 -0.34845 -0.10731 78 4XX 0.18300 0.12502 -0.03177 0.22142 -0.14613 79 4YY -0.02472 0.09676 -0.04747 -0.13084 0.09705 80 4ZZ -0.18515 -0.22750 0.11087 -0.00521 -0.02676 81 4XY -0.12622 0.41833 -0.00503 0.10462 0.03531 82 4XZ 0.45762 0.18558 -0.21443 0.01850 0.21787 83 4YZ 0.10124 -0.11235 -0.04531 0.03139 -0.12403 84 10 H 1S 0.26825 -0.19082 -0.11760 -0.03167 0.08328 85 2S -0.02703 -0.06613 0.08278 0.08558 -0.11632 86 11 H 1S -0.26137 -0.06707 0.05951 -0.20438 0.07132 87 2S 0.12499 0.01811 -0.17049 -0.13591 0.21279 88 12 C 1S -0.00902 0.04518 -0.00308 0.00478 -0.00360 89 2S -0.01602 0.23769 -0.13679 0.32483 -0.38957 90 2PX 0.04409 0.02990 -0.02810 0.03936 -0.02855 91 2PY 0.02304 0.00245 -0.01279 -0.05411 0.02505 92 2PZ -0.00964 0.12405 0.05871 -0.04417 0.13813 93 3S 0.07800 -2.46506 0.15428 -0.95037 0.09736 94 3PX -0.00322 0.42901 0.12915 -0.40360 0.46772 95 3PY -0.03184 0.59302 0.02650 0.00681 -0.10964 96 3PZ -0.13611 0.41323 -0.03977 0.34845 0.10731 97 4XX 0.18300 -0.12502 -0.03177 -0.22142 0.14613 98 4YY -0.02472 -0.09675 -0.04747 0.13084 -0.09704 99 4ZZ -0.18515 0.22750 0.11087 0.00521 0.02676 100 4XY 0.12621 0.41833 0.00504 0.10462 0.03532 101 4XZ 0.45763 -0.18558 -0.21443 -0.01850 -0.21787 102 4YZ -0.10123 -0.11236 0.04531 0.03140 -0.12403 103 13 H 1S 0.26825 0.19081 -0.11760 0.03167 -0.08328 104 2S -0.02703 0.06613 0.08278 -0.08558 0.11632 105 14 H 1S -0.26137 0.06708 0.05951 0.20437 -0.07132 106 2S 0.12499 -0.01811 -0.17049 0.13591 -0.21278 107 15 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00000 108 2S -0.02632 0.00000 -0.22521 0.00000 0.00000 109 2PX -0.01466 0.00000 -0.00264 0.00000 0.00000 110 2PY 0.00000 -0.02985 0.00000 -0.02849 -0.00330 111 2PZ -0.00714 0.00000 -0.00542 0.00000 0.00000 112 3S 0.14800 0.00000 0.59236 0.00000 0.00000 113 3PX -0.09920 0.00000 -0.38694 0.00000 0.00000 114 3PY 0.00000 0.00449 0.00000 0.05830 -0.00058 115 3PZ 0.03681 0.00000 -0.23914 0.00000 0.00000 116 4XX 0.05824 0.00000 0.22068 0.00000 0.00000 117 4YY 0.02477 0.00000 0.17278 0.00001 0.00000 118 4ZZ -0.08571 0.00000 -0.39343 -0.00001 0.00000 119 4XY 0.00000 -0.12320 -0.00001 0.11997 0.18073 120 4XZ 0.07827 0.00000 0.33391 0.00000 0.00000 121 4YZ 0.00000 0.11212 0.00001 -0.20538 -0.11531 122 16 C 1S 0.00916 -0.00588 0.01448 0.00442 -0.03591 123 2S 0.06241 -0.06755 0.41270 0.33358 -0.81763 124 2PX 0.03246 0.02025 0.01620 0.05094 -0.11568 125 2PY -0.01083 -0.02200 0.15948 -0.00251 0.05854 126 2PZ 0.00215 0.04068 0.03539 0.10903 -0.22814 127 3S -0.24777 0.58268 -0.42815 -0.88926 3.33683 128 3PX -0.02454 -0.12272 -0.08102 -0.32950 0.96834 129 3PY 0.10560 0.24430 -0.23381 -0.65769 1.54173 130 3PZ -0.16568 0.03490 -0.40233 -0.38018 1.83970 131 4XX 0.08582 0.02581 0.33007 -0.17216 0.14940 132 4YY 0.02633 -0.01458 -0.20866 0.01938 0.02537 133 4ZZ -0.10175 0.01311 -0.14997 0.10858 -0.07803 134 4XY -0.03435 -0.03349 -0.04763 0.01939 0.00141 135 4XZ 0.00419 -0.14629 -0.16193 -0.20590 0.20433 136 4YZ 0.08958 0.07227 0.14668 -0.02106 -0.06622 137 17 C 1S 0.00916 0.00588 0.01448 -0.00442 0.03591 138 2S 0.06241 0.06755 0.41270 -0.33358 0.81763 139 2PX 0.03246 -0.02025 0.01620 -0.05094 0.11568 140 2PY 0.01083 -0.02200 -0.15948 -0.00251 0.05853 141 2PZ 0.00215 -0.04068 0.03539 -0.10903 0.22814 142 3S -0.24778 -0.58268 -0.42815 0.88926 -3.33683 143 3PX -0.02454 0.12272 -0.08101 0.32950 -0.96834 144 3PY -0.10558 0.24430 0.23382 -0.65770 1.54180 145 3PZ -0.16569 -0.03489 -0.40232 0.38015 -1.83963 146 4XX 0.08582 -0.02581 0.33007 0.17216 -0.14940 147 4YY 0.02634 0.01458 -0.20865 -0.01938 -0.02537 148 4ZZ -0.10176 -0.01310 -0.14998 -0.10858 0.07802 149 4XY 0.03435 -0.03350 0.04764 0.01939 0.00141 150 4XZ 0.00420 0.14629 -0.16193 0.20590 -0.20433 151 4YZ -0.08957 0.07227 -0.14668 -0.02106 -0.06623 152 18 H 1S 0.00469 0.00000 -0.01860 0.00000 0.00000 153 2S 0.02713 0.00000 0.07717 0.00000 0.00000 154 19 H 1S -0.00905 -0.01742 -0.00115 -0.06409 0.22743 155 2S -0.01737 -0.05155 -0.15348 -0.23208 0.60874 156 20 H 1S -0.00905 0.01742 -0.00115 0.06409 -0.22743 157 2S -0.01737 0.05155 -0.15348 0.23209 -0.60874 158 21 H 1S 0.04243 0.00000 0.21636 0.00000 0.00000 159 2S -0.10817 0.00000 -0.07886 0.00000 0.00000 160 22 O 1S -0.00069 0.00381 0.01180 0.01388 -0.02468 161 2S -0.02153 -0.11116 -0.11461 -0.16125 -0.08553 162 2PX -0.01405 0.03723 0.00228 0.11132 -0.07190 163 2PY 0.00733 0.03271 0.05182 0.05846 -0.06706 164 2PZ 0.00968 0.02405 -0.05035 0.03616 -0.09270 165 3S 0.11262 0.14898 0.07818 -0.08925 1.26689 166 3PX -0.04674 -0.03961 -0.20899 -0.15647 -0.32704 167 3PY 0.01690 -0.08063 0.02034 0.01648 -0.15842 168 3PZ -0.04914 -0.03901 0.01839 0.01343 0.02199 169 4XX 0.15549 0.05813 0.44491 0.03005 -0.07604 170 4YY -0.03043 -0.00526 -0.04911 -0.04233 -0.07281 171 4ZZ -0.13742 -0.06475 -0.35879 0.02548 0.06391 172 4XY -0.02971 -0.06701 -0.10015 0.11038 0.04035 173 4XZ -0.03538 0.02313 -0.13968 0.11893 -0.32515 174 4YZ -0.01277 0.07515 0.01330 -0.13109 -0.08737 175 23 O 1S -0.00069 -0.00381 0.01180 -0.01388 0.02468 176 2S -0.02152 0.11116 -0.11461 0.16125 0.08553 177 2PX -0.01405 -0.03723 0.00228 -0.11132 0.07190 178 2PY -0.00733 0.03272 -0.05182 0.05846 -0.06706 179 2PZ 0.00968 -0.02405 -0.05036 -0.03616 0.09270 180 3S 0.11262 -0.14899 0.07818 0.08925 -1.26689 181 3PX -0.04674 0.03961 -0.20899 0.15647 0.32704 182 3PY -0.01690 -0.08063 -0.02034 0.01648 -0.15842 183 3PZ -0.04914 0.03900 0.01839 -0.01343 -0.02200 184 4XX 0.15549 -0.05813 0.44491 -0.03005 0.07604 185 4YY -0.03044 0.00525 -0.04910 0.04234 0.07282 186 4ZZ -0.13741 0.06476 -0.35879 -0.02549 -0.06391 187 4XY 0.02971 -0.06701 0.10016 0.11039 0.04034 188 4XZ -0.03538 -0.02313 -0.13968 -0.11893 0.32515 189 4YZ 0.01277 0.07515 -0.01329 -0.13108 -0.08736 156 157 158 159 160 V V V V V Eigenvalues -- 2.31855 2.37116 2.40151 2.43435 2.44808 1 1 C 1S -0.01283 -0.00980 0.01345 -0.05963 -0.02215 2 2S -0.11705 -0.49843 -0.39346 -1.20357 -0.07144 3 2PX -0.04367 -0.06014 -0.08593 0.02547 0.00559 4 2PY -0.03141 -0.14165 -0.11425 -0.20232 0.03011 5 2PZ -0.01821 -0.05724 -0.20368 0.13366 0.04876 6 3S 0.57078 0.59663 0.55184 3.64544 0.75240 7 3PX -0.12461 0.09682 0.11131 0.00995 -0.11020 8 3PY 0.33323 0.76940 0.42855 1.91282 0.19432 9 3PZ 0.10545 -0.00654 -0.15127 0.47518 0.09155 10 4XX 0.39081 0.17611 -0.12078 0.05180 -0.25132 11 4YY -0.00081 -0.20288 0.13987 0.05693 0.21174 12 4ZZ -0.38185 0.08512 0.12899 0.08235 0.04069 13 4XY -0.03374 -0.06823 0.11109 0.02398 -0.08579 14 4XZ 0.19115 -0.00699 -0.08923 0.23907 0.05724 15 4YZ 0.31883 -0.21518 -0.07684 0.14045 0.09934 16 2 H 1S -0.02992 0.21467 -0.02767 0.01696 -0.15578 17 2S 0.11517 0.17117 0.11873 0.36932 0.05446 18 3 C 1S 0.01657 0.00557 0.00278 -0.03284 0.01158 19 2S 0.20371 0.04834 0.02191 -0.20620 0.07411 20 2PX 0.04270 -0.07423 0.03288 -0.12596 0.00408 21 2PY 0.14729 0.04619 -0.07463 0.16088 -0.02589 22 2PZ -0.05279 -0.04209 0.00969 -0.08319 0.00889 23 3S -0.48681 -1.15320 -0.53306 -0.60533 -0.43376 24 3PX -0.10928 -0.29310 -0.32161 -0.39628 -0.15598 25 3PY -0.08633 -0.70939 -0.16968 0.16599 0.10217 26 3PZ -0.24524 -0.28086 -0.36033 -0.42455 -0.10977 27 4XX 0.43968 -0.02166 -0.22373 -0.14439 -0.07995 28 4YY -0.22123 -0.03268 -0.03909 0.25341 0.08809 29 4ZZ -0.16257 -0.01991 0.27728 -0.13174 -0.01205 30 4XY -0.06899 -0.17703 0.44802 -0.15914 -0.02552 31 4XZ -0.12287 0.08338 0.11310 0.29238 -0.14903 32 4YZ 0.15351 -0.04238 -0.19934 0.12969 -0.07023 33 4 H 1S 0.02361 -0.00512 -0.18323 -0.13565 0.11049 34 2S -0.04908 -0.19332 -0.09154 -0.02032 -0.03304 35 5 C 1S 0.01657 -0.00557 -0.00278 0.03284 0.01158 36 2S 0.20373 -0.04834 -0.02191 0.20619 0.07411 37 2PX 0.04270 0.07423 -0.03288 0.12597 0.00408 38 2PY -0.14729 0.04619 -0.07463 0.16087 0.02589 39 2PZ -0.05279 0.04210 -0.00969 0.08319 0.00890 40 3S -0.48686 1.15321 0.53306 0.60534 -0.43376 41 3PX -0.10930 0.29310 0.32161 0.39629 -0.15598 42 3PY 0.08636 -0.70940 -0.16969 0.16598 -0.10217 43 3PZ -0.24525 0.28083 0.36032 0.42456 -0.10977 44 4XX 0.43968 0.02166 0.22373 0.14439 -0.07995 45 4YY -0.22122 0.03269 0.03911 -0.25342 0.08808 46 4ZZ -0.16258 0.01990 -0.27729 0.13175 -0.01204 47 4XY 0.06899 -0.17703 0.44803 -0.15913 0.02553 48 4XZ -0.12287 -0.08339 -0.11309 -0.29238 -0.14903 49 4YZ -0.15352 -0.04238 -0.19932 0.12967 0.07024 50 6 H 1S 0.02361 0.00512 0.18323 0.13565 0.11049 51 2S -0.04909 0.19332 0.09154 0.02032 -0.03304 52 7 C 1S -0.01283 0.00980 -0.01345 0.05963 -0.02215 53 2S -0.11705 0.49843 0.39346 1.20357 -0.07144 54 2PX -0.04367 0.06014 0.08593 -0.02547 0.00559 55 2PY 0.03141 -0.14165 -0.11426 -0.20231 -0.03011 56 2PZ -0.01822 0.05724 0.20367 -0.13366 0.04876 57 3S 0.57082 -0.59664 -0.55185 -3.64547 0.75240 58 3PX -0.12461 -0.09682 -0.11131 -0.00994 -0.11020 59 3PY -0.33325 0.76940 0.42854 1.91284 -0.19432 60 3PZ 0.10544 0.00657 0.15129 -0.47511 0.09155 61 4XX 0.39080 -0.17610 0.12078 -0.05180 -0.25132 62 4YY -0.00078 0.20290 -0.13986 -0.05694 0.21174 63 4ZZ -0.38187 -0.08514 -0.12899 -0.08234 0.04068 64 4XY 0.03373 -0.06823 0.11108 0.02399 0.08578 65 4XZ 0.19115 0.00699 0.08924 -0.23907 0.05725 66 4YZ -0.31881 -0.21517 -0.07684 0.14045 -0.09933 67 8 H 1S -0.02992 -0.21467 0.02767 -0.01695 -0.15578 68 2S 0.11518 -0.17117 -0.11873 -0.36932 0.05446 69 9 C 1S 0.00908 -0.03634 -0.01019 0.08725 0.01630 70 2S -0.14248 -0.30673 -0.04530 0.54265 0.09257 71 2PX 0.00443 -0.07040 0.01124 -0.00266 0.01841 72 2PY -0.05591 0.08808 0.06828 -0.06174 0.01344 73 2PZ 0.02264 0.08781 0.01362 0.13747 0.05356 74 3S -0.08266 0.74534 0.00274 -4.01295 -0.50273 75 3PX -0.06757 0.12548 -0.19947 0.77280 0.05963 76 3PY 0.01934 0.46703 -0.08526 -0.99673 0.07671 77 3PZ 0.13272 -0.51241 -0.12042 1.13489 0.18657 78 4XX 0.00200 -0.41703 -0.31067 0.37332 0.08989 79 4YY 0.18370 0.17474 0.12080 -0.21780 0.05227 80 4ZZ -0.13454 0.23386 0.15810 -0.14926 -0.13842 81 4XY 0.13977 0.32198 0.11033 0.11687 -0.03280 82 4XZ 0.02849 -0.05777 0.08460 0.01659 -0.14630 83 4YZ 0.06192 -0.28814 0.41439 0.14893 -0.03402 84 10 H 1S -0.00841 -0.12707 0.10415 0.23194 -0.01621 85 2S -0.08646 0.28068 -0.06003 0.08816 0.02000 86 11 H 1S 0.09811 0.23944 0.21530 0.05893 -0.02844 87 2S -0.04169 -0.08096 -0.02159 -0.20923 0.13077 88 12 C 1S 0.00908 0.03634 0.01019 -0.08725 0.01630 89 2S -0.14248 0.30672 0.04530 -0.54265 0.09257 90 2PX 0.00443 0.07040 -0.01124 0.00266 0.01841 91 2PY 0.05591 0.08809 0.06828 -0.06174 -0.01344 92 2PZ 0.02264 -0.08781 -0.01361 -0.13747 0.05356 93 3S -0.08267 -0.74534 -0.00274 4.01297 -0.50272 94 3PX -0.06756 -0.12548 0.19947 -0.77280 0.05963 95 3PY -0.01935 0.46701 -0.08527 -0.99668 -0.07671 96 3PZ 0.13272 0.51242 0.12042 -1.13494 0.18657 97 4XX 0.00200 0.41703 0.31067 -0.37332 0.08989 98 4YY 0.18370 -0.17472 -0.12083 0.21779 0.05227 99 4ZZ -0.13455 -0.23388 -0.15807 0.14927 -0.13842 100 4XY -0.13977 0.32197 0.11034 0.11687 0.03280 101 4XZ 0.02847 0.05779 -0.08460 -0.01658 -0.14630 102 4YZ -0.06191 -0.28814 0.41439 0.14893 0.03403 103 13 H 1S -0.00842 0.12707 -0.10415 -0.23194 -0.01621 104 2S -0.08646 -0.28068 0.06003 -0.08816 0.02000 105 14 H 1S 0.09811 -0.23944 -0.21530 -0.05893 -0.02844 106 2S -0.04170 0.08096 0.02159 0.20923 0.13077 107 15 C 1S -0.00230 0.00000 0.00000 0.00000 0.00404 108 2S -0.17437 0.00000 0.00000 0.00000 -0.01195 109 2PX 0.05154 0.00000 0.00000 0.00000 0.03017 110 2PY 0.00000 0.00369 0.01964 -0.01621 0.00000 111 2PZ 0.02231 0.00000 0.00000 0.00000 -0.00132 112 3S 0.19978 0.00000 0.00000 0.00000 -0.14552 113 3PX -0.24729 0.00000 0.00000 0.00000 0.04786 114 3PY 0.00000 0.03443 -0.01721 -0.10845 0.00000 115 3PZ 0.02389 0.00000 0.00000 0.00000 0.23892 116 4XX 0.14744 0.00000 0.00000 0.00000 0.64503 117 4YY 0.08183 0.00000 0.00000 0.00000 0.01968 118 4ZZ -0.19893 0.00000 0.00000 0.00000 -0.64623 119 4XY 0.00000 0.06844 0.09079 0.15300 0.00000 120 4XZ 0.06421 0.00000 0.00000 0.00000 -0.10421 121 4YZ 0.00000 -0.12402 -0.08204 -0.03670 0.00001 122 16 C 1S 0.00623 0.02961 0.01474 0.03474 0.00275 123 2S 0.11103 0.67422 0.06279 0.35722 -0.06154 124 2PX -0.00152 0.02419 -0.06267 0.00332 -0.01803 125 2PY 0.04716 -0.04966 -0.03669 -0.07568 0.00735 126 2PZ -0.00424 0.14790 -0.03062 0.01439 -0.01522 127 3S -0.18702 -2.73271 -0.64378 -1.86840 -0.02123 128 3PX -0.07594 -0.45845 0.12513 0.26825 -0.16576 129 3PY -0.06605 -1.25596 -0.13845 -0.59191 -0.04441 130 3PZ -0.14926 -1.20145 -0.05219 -0.40843 0.02837 131 4XX 0.09655 -0.22689 -0.02315 0.08759 -0.28045 132 4YY -0.05352 -0.02313 -0.04599 -0.07922 0.03294 133 4ZZ -0.04824 0.14136 0.06389 -0.03198 0.26991 134 4XY -0.01202 -0.07976 -0.09016 -0.17188 0.04705 135 4XZ -0.07030 -0.02414 0.06040 0.10252 0.01957 136 4YZ 0.05578 0.06469 0.06178 0.15491 0.00572 137 17 C 1S 0.00623 -0.02961 -0.01474 -0.03474 0.00275 138 2S 0.11105 -0.67422 -0.06279 -0.35722 -0.06154 139 2PX -0.00152 -0.02419 0.06267 -0.00332 -0.01803 140 2PY -0.04716 -0.04965 -0.03669 -0.07568 -0.00735 141 2PZ -0.00424 -0.14790 0.03061 -0.01439 -0.01522 142 3S -0.18709 2.73271 0.64378 1.86840 -0.02123 143 3PX -0.07596 0.45845 -0.12513 -0.26825 -0.16576 144 3PY 0.06609 -1.25601 -0.13845 -0.59193 0.04441 145 3PZ -0.14930 1.20140 0.05219 0.40841 0.02837 146 4XX 0.09655 0.22689 0.02315 -0.08759 -0.28045 147 4YY -0.05352 0.02312 0.04599 0.07921 0.03294 148 4ZZ -0.04824 -0.14136 -0.06389 0.03199 0.26991 149 4XY 0.01203 -0.07976 -0.09016 -0.17188 -0.04706 150 4XZ -0.07031 0.02413 -0.06040 -0.10253 0.01957 151 4YZ -0.05578 0.06469 0.06179 0.15491 -0.00573 152 18 H 1S -0.02664 0.00000 0.00000 0.00000 -0.34752 153 2S 0.11132 0.00000 0.00000 0.00000 0.17198 154 19 H 1S -0.01165 -0.15670 0.01290 0.00707 -0.11080 155 2S -0.03609 -0.40350 0.02579 -0.00606 0.03427 156 20 H 1S -0.01165 0.15670 -0.01290 -0.00707 -0.11080 157 2S -0.03610 0.40349 -0.02579 0.00606 0.03427 158 21 H 1S 0.07232 0.00000 0.00000 0.00000 0.33277 159 2S -0.08991 0.00000 0.00000 0.00000 -0.28913 160 22 O 1S -0.00066 0.01629 0.00067 -0.01017 -0.01358 161 2S -0.09062 0.07090 0.09542 0.11033 -0.05391 162 2PX -0.00607 0.05276 -0.02079 -0.05450 -0.04953 163 2PY 0.02231 0.02576 -0.02713 -0.03275 0.00411 164 2PZ -0.01244 0.02569 -0.02205 0.01991 0.03766 165 3S 0.17926 -0.84508 -0.19586 -0.22103 0.34009 166 3PX -0.06598 0.13222 0.06450 0.21245 0.13754 167 3PY -0.04564 0.16207 0.07935 0.05645 -0.15557 168 3PZ -0.04359 0.05409 0.06387 -0.05580 -0.23241 169 4XX 0.15036 0.03307 -0.03751 -0.22029 -0.18479 170 4YY 0.01111 0.01455 -0.00469 0.03523 0.04268 171 4ZZ -0.17885 0.02771 0.06719 0.15275 0.07295 172 4XY -0.08737 0.09223 0.03307 0.02672 -0.24413 173 4XZ -0.02549 0.17210 -0.04475 0.16063 0.10060 174 4YZ 0.04773 -0.10950 -0.07844 -0.03250 0.35419 175 23 O 1S -0.00066 -0.01629 -0.00067 0.01017 -0.01358 176 2S -0.09061 -0.07090 -0.09542 -0.11033 -0.05391 177 2PX -0.00607 -0.05276 0.02079 0.05450 -0.04953 178 2PY -0.02231 0.02577 -0.02713 -0.03275 -0.00412 179 2PZ -0.01244 -0.02569 0.02205 -0.01992 0.03766 180 3S 0.17923 0.84508 0.19585 0.22102 0.34009 181 3PX -0.06597 -0.13222 -0.06450 -0.21245 0.13754 182 3PY 0.04563 0.16207 0.07935 0.05645 0.15558 183 3PZ -0.04359 -0.05408 -0.06387 0.05580 -0.23241 184 4XX 0.15036 -0.03307 0.03751 0.22029 -0.18479 185 4YY 0.01111 -0.01454 0.00469 -0.03522 0.04271 186 4ZZ -0.17886 -0.02772 -0.06719 -0.15275 0.07293 187 4XY 0.08737 0.09224 0.03307 0.02673 0.24412 188 4XZ -0.02548 -0.17209 0.04475 -0.16063 0.10061 189 4YZ -0.04772 -0.10950 -0.07844 -0.03249 -0.35419 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52224 2.54538 2.59889 1 1 C 1S -0.05674 -0.01408 0.02280 0.01260 -0.00751 2 2S -0.15188 -0.27687 0.29629 0.67663 -0.01988 3 2PX -0.01062 -0.03314 -0.00382 -0.00818 -0.03731 4 2PY 0.07945 -0.03910 0.06422 0.15928 0.00595 5 2PZ 0.07215 -0.04804 -0.08619 0.03367 -0.02233 6 3S 1.68618 0.51885 -0.92649 -1.33198 0.15547 7 3PX -0.09756 0.08486 -0.32151 0.36674 -0.06654 8 3PY 0.42783 0.12713 -0.48826 -0.98461 0.15563 9 3PZ 0.16949 -0.24182 -0.24967 0.14867 -0.07565 10 4XX -0.37551 0.05328 0.01638 -0.11724 0.03210 11 4YY 0.36619 -0.02816 -0.03787 0.00353 -0.18676 12 4ZZ -0.02305 0.01892 0.00725 -0.07044 0.15726 13 4XY -0.17745 -0.01731 0.06977 -0.04214 0.02847 14 4XZ 0.17505 -0.02675 -0.10184 -0.03904 0.09887 15 4YZ 0.21359 -0.08790 -0.12821 0.10914 -0.05452 16 2 H 1S -0.32055 -0.03200 0.05152 -0.09863 0.11053 17 2S 0.12307 0.03055 -0.11491 -0.25486 0.02786 18 3 C 1S 0.02265 0.00318 0.00735 0.00398 0.00821 19 2S 0.09619 -0.06928 0.30707 0.10878 0.07332 20 2PX -0.01344 -0.02445 0.06992 0.07490 -0.03989 21 2PY -0.00948 0.00224 -0.00298 -0.03047 0.07363 22 2PZ -0.00578 -0.00904 0.05349 0.03731 -0.03024 23 3S -0.79999 -0.16799 -0.41280 0.71847 -0.26768 24 3PX -0.29682 -0.11882 -0.28544 0.31744 -0.12907 25 3PY 0.16635 0.05134 -0.02285 -0.10358 -0.01887 26 3PZ -0.25908 -0.17661 -0.13638 0.37572 -0.06726 27 4XX -0.06640 0.00704 -0.09886 0.04652 -0.02800 28 4YY 0.12617 -0.01319 0.00119 -0.04097 -0.06570 29 4ZZ -0.05635 0.02219 0.01878 -0.00885 0.08422 30 4XY -0.02821 0.08753 -0.08448 0.05406 0.08153 31 4XZ -0.32000 -0.02703 -0.11489 -0.08581 -0.00746 32 4YZ -0.07913 -0.10161 0.01051 0.01101 0.03906 33 4 H 1S 0.19046 0.00541 0.05268 0.03157 -0.03710 34 2S -0.08713 -0.06931 -0.08889 0.07048 -0.00641 35 5 C 1S 0.02265 -0.00318 -0.00735 -0.00398 0.00821 36 2S 0.09620 0.06928 -0.30707 -0.10878 0.07332 37 2PX -0.01344 0.02445 -0.06992 -0.07490 -0.03989 38 2PY 0.00948 0.00224 -0.00298 -0.03047 -0.07363 39 2PZ -0.00578 0.00904 -0.05349 -0.03731 -0.03025 40 3S -0.79998 0.16799 0.41280 -0.71847 -0.26768 41 3PX -0.29682 0.11882 0.28544 -0.31744 -0.12907 42 3PY -0.16634 0.05133 -0.02285 -0.10357 0.01887 43 3PZ -0.25907 0.17661 0.13638 -0.37572 -0.06726 44 4XX -0.06639 -0.00704 0.09886 -0.04652 -0.02800 45 4YY 0.12616 0.01320 -0.00119 0.04097 -0.06570 46 4ZZ -0.05635 -0.02220 -0.01878 0.00885 0.08422 47 4XY 0.02823 0.08753 -0.08448 0.05406 -0.08153 48 4XZ -0.32001 0.02703 0.11489 0.08581 -0.00746 49 4YZ 0.07914 -0.10161 0.01051 0.01101 -0.03907 50 6 H 1S 0.19046 -0.00541 -0.05268 -0.03157 -0.03710 51 2S -0.08713 0.06931 0.08889 -0.07048 -0.00641 52 7 C 1S -0.05674 0.01408 -0.02280 -0.01260 -0.00751 53 2S -0.15186 0.27687 -0.29629 -0.67663 -0.01988 54 2PX -0.01062 0.03314 0.00382 0.00818 -0.03731 55 2PY -0.07945 -0.03911 0.06422 0.15928 -0.00595 56 2PZ 0.07214 0.04804 0.08620 -0.03367 -0.02233 57 3S 1.68612 -0.51886 0.92649 1.33198 0.15547 58 3PX -0.09756 -0.08486 0.32151 -0.36674 -0.06654 59 3PY -0.42781 0.12712 -0.48827 -0.98460 -0.15563 60 3PZ 0.16947 0.24183 0.24965 -0.14871 -0.07565 61 4XX -0.37551 -0.05328 -0.01638 0.11724 0.03210 62 4YY 0.36620 0.02817 0.03788 -0.00354 -0.18676 63 4ZZ -0.02306 -0.01892 -0.00726 0.07045 0.15726 64 4XY 0.17744 -0.01731 0.06977 -0.04214 -0.02847 65 4XZ 0.17505 0.02675 0.10185 0.03904 0.09887 66 4YZ -0.21357 -0.08790 -0.12821 0.10913 0.05450 67 8 H 1S -0.32055 0.03200 -0.05152 0.09864 0.11053 68 2S 0.12306 -0.03055 0.11491 0.25486 0.02786 69 9 C 1S 0.02643 -0.01998 -0.05256 0.00482 0.00355 70 2S 0.16752 -0.23782 -0.42382 0.09523 -0.24076 71 2PX 0.05140 -0.01961 -0.03152 0.04954 -0.03303 72 2PY 0.04569 0.03118 0.05658 -0.04511 -0.03160 73 2PZ 0.07000 0.02880 0.01269 -0.09537 0.10859 74 3S -0.78676 0.74761 2.12664 0.32398 0.06825 75 3PX 0.02822 0.09962 0.48339 -0.90828 0.19654 76 3PY 0.06999 0.27908 0.64356 0.11158 0.08515 77 3PZ 0.54487 -0.24629 -0.90323 0.32878 -0.21697 78 4XX 0.16206 -0.09305 -0.01372 -0.04856 0.08431 79 4YY 0.09008 0.09083 0.18748 -0.10951 0.01265 80 4ZZ -0.25601 0.03806 -0.15184 0.14386 -0.00202 81 4XY 0.03651 0.02012 -0.32908 0.16402 -0.06086 82 4XZ -0.31671 0.09030 0.40994 -0.42660 0.02384 83 4YZ -0.10881 -0.03785 -0.06751 -0.10374 -0.03729 84 10 H 1S -0.13323 0.02077 0.28837 -0.42939 0.03839 85 2S -0.06032 0.07880 0.13392 -0.20613 0.15175 86 11 H 1S 0.07927 -0.01594 -0.46440 0.31683 -0.11704 87 2S -0.05444 -0.09438 0.07211 0.10225 0.06660 88 12 C 1S 0.02643 0.01998 0.05256 -0.00482 0.00355 89 2S 0.16751 0.23782 0.42382 -0.09523 -0.24076 90 2PX 0.05140 0.01961 0.03152 -0.04954 -0.03303 91 2PY -0.04569 0.03118 0.05658 -0.04512 0.03159 92 2PZ 0.06999 -0.02880 -0.01269 0.09537 0.10859 93 3S -0.78670 -0.74760 -2.12664 -0.32398 0.06825 94 3PX 0.02821 -0.09962 -0.48340 0.90828 0.19654 95 3PY -0.07003 0.27907 0.64352 0.11159 -0.08514 96 3PZ 0.54485 0.24630 0.90325 -0.32878 -0.21697 97 4XX 0.16206 0.09305 0.01372 0.04856 0.08431 98 4YY 0.09007 -0.09083 -0.18747 0.10952 0.01265 99 4ZZ -0.25600 -0.03806 0.15183 -0.14387 -0.00201 100 4XY -0.03650 0.02012 -0.32907 0.16401 0.06085 101 4XZ -0.31671 -0.09030 -0.40995 0.42660 0.02384 102 4YZ 0.10882 -0.03785 -0.06752 -0.10373 0.03729 103 13 H 1S -0.13323 -0.02077 -0.28837 0.42940 0.03839 104 2S -0.06033 -0.07880 -0.13392 0.20613 0.15175 105 14 H 1S 0.07927 0.01593 0.46440 -0.31683 -0.11704 106 2S -0.05443 0.09438 -0.07211 -0.10225 0.06660 107 15 C 1S 0.01004 0.00000 0.00000 0.00000 0.07428 108 2S -0.17438 0.00000 0.00000 0.00000 -0.43897 109 2PX 0.08384 0.00000 0.00000 0.00000 0.37889 110 2PY 0.00000 -0.08066 0.00676 0.02807 -0.00001 111 2PZ 0.05890 0.00000 0.00000 0.00000 0.41719 112 3S -0.06279 0.00000 0.00000 0.00000 -2.14700 113 3PX -0.11050 0.00000 0.00000 0.00000 0.79010 114 3PY 0.00000 -0.05020 0.12137 0.02706 -0.00001 115 3PZ 0.03623 0.00000 0.00000 0.00000 0.57055 116 4XX -0.36865 0.00000 0.00000 0.00000 0.10365 117 4YY 0.01286 0.00000 0.00001 0.00001 0.02702 118 4ZZ 0.41613 0.00000 -0.00001 -0.00001 0.04160 119 4XY 0.00000 0.03658 0.16062 0.09173 0.00001 120 4XZ -0.04261 0.00000 0.00000 0.00000 -0.56707 121 4YZ -0.00001 0.00437 -0.31424 -0.17747 0.00000 122 16 C 1S 0.00841 -0.01127 0.00394 -0.01698 0.03374 123 2S -0.12549 0.51012 0.11086 -0.54569 0.01605 124 2PX 0.03147 0.09575 0.00966 -0.06935 -0.22954 125 2PY -0.02414 0.16255 -0.01934 -0.01109 0.15523 126 2PZ -0.03396 0.09470 0.07563 -0.10303 -0.09651 127 3S -0.04881 -0.01764 -0.83475 1.62262 -0.72269 128 3PX 0.02370 0.66291 -0.75494 -0.05482 -0.40332 129 3PY 0.07958 0.40206 -0.73920 0.67742 -0.21204 130 3PZ 0.01311 -0.27170 -0.74633 0.52688 -0.53826 131 4XX 0.10251 0.29377 0.01519 0.30043 -0.09030 132 4YY 0.04523 0.23432 -0.00372 -0.03085 0.09028 133 4ZZ -0.07571 -0.62802 -0.04109 -0.17389 0.03607 134 4XY -0.03106 0.29751 -0.31649 -0.32419 -0.04148 135 4XZ -0.03646 -0.02313 -0.13627 -0.14560 -0.39511 136 4YZ -0.02695 -0.11515 0.23720 0.26316 0.00605 137 17 C 1S 0.00841 0.01127 -0.00394 0.01698 0.03374 138 2S -0.12550 -0.51012 -0.11085 0.54569 0.01605 139 2PX 0.03147 -0.09575 -0.00966 0.06935 -0.22954 140 2PY 0.02414 0.16255 -0.01933 -0.01110 -0.15522 141 2PZ -0.03396 -0.09470 -0.07564 0.10303 -0.09651 142 3S -0.04878 0.01764 0.83475 -1.62262 -0.72269 143 3PX 0.02370 -0.66291 0.75494 0.05482 -0.40332 144 3PY -0.07959 0.40205 -0.73922 0.67745 0.21207 145 3PZ 0.01311 0.27171 0.74630 -0.52685 -0.53825 146 4XX 0.10251 -0.29377 -0.01519 -0.30043 -0.09030 147 4YY 0.04523 -0.23432 0.00371 0.03083 0.09028 148 4ZZ -0.07571 0.62802 0.04111 0.17391 0.03607 149 4XY 0.03106 0.29751 -0.31650 -0.32420 0.04149 150 4XZ -0.03646 0.02314 0.13626 0.14559 -0.39511 151 4YZ 0.02696 -0.11519 0.23720 0.26315 -0.00605 152 18 H 1S 0.21960 0.00000 0.00000 0.00000 -0.01724 153 2S -0.01274 0.00000 0.00000 0.00000 0.04487 154 19 H 1S 0.05348 0.23427 -0.20470 0.01254 0.01941 155 2S 0.02917 0.00314 -0.36672 0.13970 -0.19925 156 20 H 1S 0.05348 -0.23428 0.20470 -0.01254 0.01941 157 2S 0.02917 -0.00314 0.36672 -0.13970 -0.19925 158 21 H 1S -0.23284 0.00000 0.00000 0.00000 0.09792 159 2S 0.09414 0.00000 0.00000 0.00000 0.06375 160 22 O 1S 0.00139 -0.00300 0.02144 -0.00520 -0.06144 161 2S -0.08097 -0.21701 0.01893 0.11442 -0.92390 162 2PX 0.02051 -0.00671 0.06426 -0.05074 -0.01494 163 2PY 0.01418 0.08675 0.00862 -0.02706 0.08657 164 2PZ -0.02204 0.05663 -0.02612 -0.01072 -0.02237 165 3S 0.11535 0.43915 -0.63154 0.06611 3.05719 166 3PX -0.05079 0.10931 -0.04514 0.01805 -0.25908 167 3PY -0.05146 -0.32735 0.19755 0.05718 -1.28060 168 3PZ 0.09507 -0.24640 0.10313 -0.03735 -0.01297 169 4XX 0.02449 -0.38470 -0.11894 -0.26091 -0.22173 170 4YY 0.04356 0.12827 -0.07776 -0.08042 0.37413 171 4ZZ -0.06002 0.21917 0.31347 0.30753 -0.42542 172 4XY 0.11121 0.02708 0.05744 -0.04566 0.09103 173 4XZ -0.00757 0.23577 0.06005 -0.03262 0.31719 174 4YZ -0.20500 0.24647 -0.16014 -0.04143 -0.09798 175 23 O 1S 0.00139 0.00300 -0.02144 0.00520 -0.06144 176 2S -0.08097 0.21701 -0.01893 -0.11442 -0.92390 177 2PX 0.02051 0.00671 -0.06426 0.05074 -0.01494 178 2PY -0.01418 0.08675 0.00862 -0.02706 -0.08657 179 2PZ -0.02204 -0.05663 0.02612 0.01071 -0.02237 180 3S 0.11535 -0.43915 0.63154 -0.06611 3.05719 181 3PX -0.05079 -0.10931 0.04514 -0.01805 -0.25908 182 3PY 0.05145 -0.32736 0.19756 0.05718 1.28060 183 3PZ 0.09507 0.24639 -0.10313 0.03735 -0.01292 184 4XX 0.02450 0.38470 0.11894 0.26091 -0.22173 185 4YY 0.04354 -0.12829 0.07777 0.08043 0.37413 186 4ZZ -0.06001 -0.21916 -0.31348 -0.30753 -0.42541 187 4XY -0.11121 0.02709 0.05744 -0.04566 -0.09105 188 4XZ -0.00758 -0.23576 -0.06004 0.03262 0.31719 189 4YZ 0.20500 0.24648 -0.16013 -0.04142 0.09802 166 167 168 169 170 V V V V V Eigenvalues -- 2.62741 2.64517 2.67568 2.69296 2.69442 1 1 C 1S -0.05663 0.05183 0.01608 -0.00467 -0.00418 2 2S 0.00742 0.62634 0.01425 0.19419 -0.06860 3 2PX -0.18048 0.13247 0.07442 0.14129 0.18612 4 2PY 0.15220 0.03960 -0.04989 0.03530 -0.06818 5 2PZ -0.10573 0.11434 0.06740 0.12064 0.26130 6 3S 1.49280 -3.28216 -0.56745 -0.85076 -0.12655 7 3PX -0.29007 0.49609 0.24076 0.09475 0.61695 8 3PY 0.66665 -1.76847 -0.22736 -0.50845 -0.01979 9 3PZ -0.09906 0.14110 -0.18603 0.10351 0.86594 10 4XX 0.03662 0.08734 -0.19038 -0.30131 -0.21265 11 4YY -0.39025 -0.18183 -0.02142 -0.13756 -0.24549 12 4ZZ 0.29641 0.00324 0.14580 0.34171 0.39774 13 4XY -0.19809 0.21182 0.07140 0.08827 0.43625 14 4XZ 0.63503 -0.23504 -0.05598 -0.08735 -0.03710 15 4YZ -0.18476 0.10318 -0.17756 -0.02676 0.52138 16 2 H 1S 0.20370 0.05724 0.01464 0.06919 0.12386 17 2S 0.03402 -0.33776 -0.13680 -0.13051 -0.05834 18 3 C 1S 0.03650 -0.09125 0.00238 -0.05528 -0.02282 19 2S -0.07586 -0.29579 0.03104 -0.06267 0.08142 20 2PX -0.27694 0.11493 0.01124 0.02844 0.16202 21 2PY 0.27532 0.18518 -0.12228 0.22605 -0.03365 22 2PZ -0.20689 0.07064 0.02521 0.04491 0.16274 23 3S -0.96114 4.83466 -0.18219 2.08460 0.94891 24 3PX -0.41344 1.32183 0.09886 0.44700 0.33621 25 3PY 0.05244 1.45810 -0.45494 0.74552 -0.40552 26 3PZ -0.39098 1.40737 0.32146 0.36519 0.28654 27 4XX -0.07546 -0.19371 -0.09694 -0.37223 0.13077 28 4YY -0.08986 0.44856 -0.24069 0.44501 -0.20941 29 4ZZ 0.16419 -0.23925 0.26487 -0.09817 0.19691 30 4XY 0.31768 0.10294 -0.11042 0.11583 -0.10451 31 4XZ -0.24106 0.46370 0.11134 0.17439 0.39528 32 4YZ 0.24365 0.23612 -0.32451 -0.27872 -0.13753 33 4 H 1S -0.09978 -0.20981 0.07974 -0.00837 -0.11823 34 2S -0.07859 0.56183 -0.02354 0.12814 0.10432 35 5 C 1S 0.03650 0.09125 -0.00238 0.05528 -0.02282 36 2S -0.07586 0.29579 -0.03104 0.06267 0.08142 37 2PX -0.27694 -0.11493 -0.01124 -0.02843 0.16203 38 2PY -0.27531 0.18518 -0.12228 0.22605 0.03364 39 2PZ -0.20690 -0.07064 -0.02522 -0.04489 0.16274 40 3S -0.96115 -4.83466 0.18218 -2.08455 0.94901 41 3PX -0.41344 -1.32182 -0.09886 -0.44699 0.33623 42 3PY -0.05242 1.45816 -0.45492 0.74556 0.40548 43 3PZ -0.39098 -1.40731 -0.32148 -0.36514 0.28658 44 4XX -0.07546 0.19371 0.09694 0.37224 0.13076 45 4YY -0.08985 -0.44857 0.24071 -0.44501 -0.20940 46 4ZZ 0.16417 0.23927 -0.26489 0.09816 0.19692 47 4XY -0.31767 0.10296 -0.11042 0.11584 0.10449 48 4XZ -0.24108 -0.46370 -0.11135 -0.17436 0.39529 49 4YZ -0.24366 0.23609 -0.32448 -0.27873 0.13753 50 6 H 1S -0.09978 0.20981 -0.07974 0.00836 -0.11823 51 2S -0.07860 -0.56183 0.02354 -0.12813 0.10433 52 7 C 1S -0.05663 -0.05183 -0.01608 0.00467 -0.00418 53 2S 0.00742 -0.62634 -0.01425 -0.19419 -0.06859 54 2PX -0.18048 -0.13247 -0.07442 -0.14128 0.18613 55 2PY -0.15220 0.03961 -0.04989 0.03530 0.06816 56 2PZ -0.10574 -0.11434 -0.06740 -0.12062 0.26130 57 3S 1.49281 3.28216 0.56745 0.85075 -0.12659 58 3PX -0.29007 -0.49609 -0.24076 -0.09472 0.61696 59 3PY -0.66665 -1.76846 -0.22737 -0.50844 0.01978 60 3PZ -0.09909 -0.14117 0.18602 -0.10349 0.86595 61 4XX 0.03662 -0.08734 0.19038 0.30130 -0.21267 62 4YY -0.39026 0.18182 0.02143 0.13755 -0.24546 63 4ZZ 0.29642 -0.00323 -0.14581 -0.34170 0.39772 64 4XY 0.19807 0.21181 0.07140 0.08825 -0.43625 65 4XZ 0.63503 0.23504 0.05599 0.08735 -0.03712 66 4YZ 0.18473 0.10318 -0.17755 -0.02677 -0.52141 67 8 H 1S 0.20370 -0.05724 -0.01464 -0.06919 0.12386 68 2S 0.03402 0.33776 0.13680 0.13051 -0.05835 69 9 C 1S 0.02345 -0.02592 0.04805 -0.00106 0.04183 70 2S 0.03995 0.03619 0.01576 -0.29001 -0.04165 71 2PX 0.04960 -0.01445 0.02163 -0.00919 0.06559 72 2PY 0.11855 0.01560 -0.20945 0.01937 0.08282 73 2PZ 0.11413 -0.11239 -0.02057 0.06944 0.18419 74 3S -0.48971 1.44612 -0.82997 0.89300 -0.80753 75 3PX -0.03160 -0.28932 -0.31652 0.25733 0.07086 76 3PY -0.04165 0.42387 -0.69441 0.43237 0.19981 77 3PZ 0.33175 -0.32346 -0.11508 -0.21764 0.46159 78 4XX 0.20396 -0.12021 0.36923 0.12703 0.22688 79 4YY -0.04504 0.07534 -0.65237 0.02250 0.13083 80 4ZZ -0.11236 -0.03901 0.40728 -0.03361 -0.29291 81 4XY 0.00312 -0.01515 -0.08524 -0.16111 -0.07722 82 4XZ 0.00032 -0.04233 0.02748 -0.13532 -0.16268 83 4YZ -0.20609 -0.04406 -0.11856 -0.33097 -0.25405 84 10 H 1S -0.06357 -0.07367 -0.10677 -0.08914 -0.03579 85 2S -0.05822 -0.03254 -0.01694 0.15813 -0.03146 86 11 H 1S -0.02362 -0.01141 -0.07779 -0.16916 -0.03531 87 2S 0.04285 0.05051 0.15061 -0.06243 -0.04625 88 12 C 1S 0.02345 0.02592 -0.04805 0.00106 0.04183 89 2S 0.03995 -0.03619 -0.01576 0.29001 -0.04167 90 2PX 0.04960 0.01445 -0.02163 0.00919 0.06559 91 2PY -0.11855 0.01560 -0.20945 0.01937 -0.08283 92 2PZ 0.11412 0.11239 0.02056 -0.06943 0.18419 93 3S -0.48972 -1.44612 0.82997 -0.89304 -0.80749 94 3PX -0.03160 0.28932 0.31652 -0.25733 0.07087 95 3PY 0.04164 0.42386 -0.69441 0.43235 -0.19985 96 3PZ 0.33175 0.32347 0.11506 0.21768 0.46157 97 4XX 0.20396 0.12021 -0.36923 -0.12702 0.22688 98 4YY -0.04505 -0.07534 0.65238 -0.02247 0.13082 99 4ZZ -0.11234 0.03901 -0.40729 0.03357 -0.29290 100 4XY -0.00312 -0.01515 -0.08524 -0.16112 0.07723 101 4XZ 0.00032 0.04233 -0.02748 0.13531 -0.16268 102 4YZ 0.20610 -0.04407 -0.11851 -0.33096 0.25409 103 13 H 1S -0.06357 0.07367 0.10677 0.08914 -0.03579 104 2S -0.05822 0.03254 0.01694 -0.15813 -0.03145 105 14 H 1S -0.02362 0.01141 0.07779 0.16916 -0.03532 106 2S 0.04285 -0.05051 -0.15061 0.06243 -0.04626 107 15 C 1S -0.01677 0.00000 0.00000 0.00000 -0.01206 108 2S 0.00898 0.00000 0.00000 0.00000 -0.01434 109 2PX -0.06133 0.00000 0.00000 0.00000 -0.03734 110 2PY 0.00000 0.25149 0.17477 -0.26575 0.00001 111 2PZ -0.08975 0.00001 0.00000 -0.00001 -0.06564 112 3S 0.59965 0.00000 0.00000 0.00001 0.41518 113 3PX -0.27696 0.00000 0.00000 -0.00001 -0.24205 114 3PY 0.00000 0.35144 0.23154 -0.32590 0.00001 115 3PZ -0.12399 0.00001 0.00000 -0.00001 -0.04760 116 4XX 0.00332 0.00000 0.00000 0.00000 -0.02296 117 4YY -0.01662 0.00001 0.00001 -0.00001 0.00873 118 4ZZ 0.00412 -0.00001 -0.00001 0.00001 0.03943 119 4XY 0.00000 -0.26235 -0.17507 0.26199 -0.00001 120 4XZ 0.14430 -0.00001 0.00000 0.00001 0.09201 121 4YZ 0.00000 -0.26599 -0.18253 0.26987 -0.00001 122 16 C 1S -0.00063 -0.03922 -0.02974 0.03026 0.00185 123 2S -0.05827 -0.17739 -0.08305 0.10944 0.00271 124 2PX 0.10506 -0.08483 -0.01832 0.00634 -0.00620 125 2PY -0.02335 0.24128 0.18958 -0.23522 -0.00045 126 2PZ 0.02047 -0.06662 -0.03226 0.03749 -0.02234 127 3S 0.22443 1.67158 1.23715 -1.21693 -0.07771 128 3PX 0.08609 0.03265 0.12161 0.01679 -0.00559 129 3PY -0.04075 0.89124 0.76106 -0.74893 0.05241 130 3PZ 0.09798 0.46073 0.27558 -0.09569 0.01974 131 4XX 0.01279 -0.21781 -0.22585 0.23838 -0.01030 132 4YY -0.00204 0.43712 0.37427 -0.48169 0.00672 133 4ZZ 0.05122 -0.17942 -0.11281 0.16607 -0.00897 134 4XY 0.01041 0.10109 0.03287 0.02049 0.03004 135 4XZ 0.14137 -0.13135 0.01455 -0.02463 0.00829 136 4YZ 0.00164 0.05108 0.13365 -0.15486 0.02668 137 17 C 1S -0.00063 0.03922 0.02974 -0.03026 0.00185 138 2S -0.05827 0.17739 0.08305 -0.10943 0.00272 139 2PX 0.10506 0.08483 0.01832 -0.00634 -0.00620 140 2PY 0.02334 0.24128 0.18958 -0.23522 0.00046 141 2PZ 0.02047 0.06663 0.03227 -0.03750 -0.02234 142 3S 0.22443 -1.67158 -1.23714 1.21692 -0.07777 143 3PX 0.08609 -0.03265 -0.12161 -0.01679 -0.00559 144 3PY 0.04075 0.89125 0.76107 -0.74893 -0.05237 145 3PZ 0.09798 -0.46069 -0.27555 0.09566 0.01974 146 4XX 0.01279 0.21781 0.22585 -0.23838 -0.01029 147 4YY -0.00204 -0.43713 -0.37427 0.48171 0.00670 148 4ZZ 0.05122 0.17942 0.11282 -0.16608 -0.00897 149 4XY -0.01042 0.10108 0.03287 0.02049 -0.03004 150 4XZ 0.14137 0.13135 -0.01455 0.02463 0.00829 151 4YZ -0.00165 0.05105 0.13363 -0.15483 -0.02668 152 18 H 1S -0.00072 0.00000 0.00000 0.00000 0.02312 153 2S 0.02564 0.00000 0.00000 0.00000 0.04223 154 19 H 1S -0.05738 0.00430 -0.07118 0.11215 -0.00940 155 2S 0.02613 0.19605 0.19770 -0.15477 0.06704 156 20 H 1S -0.05738 -0.00430 0.07117 -0.11215 -0.00940 157 2S 0.02613 -0.19605 -0.19770 0.15478 0.06704 158 21 H 1S -0.03131 0.00000 0.00000 0.00000 -0.05777 159 2S -0.06396 0.00000 0.00000 0.00000 -0.03433 160 22 O 1S 0.01854 0.02776 0.01417 -0.01326 0.00097 161 2S 0.21358 0.11734 0.06530 -0.19101 0.10075 162 2PX 0.00912 0.04494 0.02454 -0.00806 -0.01144 163 2PY -0.01351 0.02123 0.01435 -0.01863 -0.00595 164 2PZ -0.00169 0.01136 0.01156 -0.01808 0.00427 165 3S -0.78554 -0.39788 -0.19340 0.51081 -0.27592 166 3PX 0.09435 -0.18570 -0.13889 0.10522 -0.02426 167 3PY 0.29189 0.22045 0.11368 -0.21852 0.15038 168 3PZ 0.03308 -0.07106 -0.08067 0.13580 -0.08475 169 4XX 0.04062 0.11737 0.07683 -0.05968 0.04824 170 4YY -0.06712 -0.13531 -0.09229 0.16089 -0.09946 171 4ZZ 0.11393 0.10237 0.04308 -0.08559 0.04310 172 4XY -0.05757 0.05742 0.08109 -0.10471 0.03425 173 4XZ -0.08962 -0.21057 -0.10421 0.09134 0.02047 174 4YZ 0.01688 0.08578 0.06951 -0.10015 0.04006 175 23 O 1S 0.01854 -0.02776 -0.01417 0.01326 0.00097 176 2S 0.21358 -0.11734 -0.06530 0.19101 0.10074 177 2PX 0.00912 -0.04494 -0.02454 0.00806 -0.01144 178 2PY 0.01351 0.02123 0.01435 -0.01863 0.00595 179 2PZ -0.00168 -0.01136 -0.01156 0.01808 0.00427 180 3S -0.78554 0.39789 0.19340 -0.51082 -0.27590 181 3PX 0.09435 0.18570 0.13889 -0.10522 -0.02426 182 3PY -0.29190 0.22045 0.11368 -0.21852 -0.15037 183 3PZ 0.03307 0.07107 0.08068 -0.13582 -0.08475 184 4XX 0.04062 -0.11737 -0.07683 0.05968 0.04824 185 4YY -0.06712 0.13530 0.09229 -0.16089 -0.09945 186 4ZZ 0.11393 -0.10237 -0.04307 0.08558 0.04310 187 4XY 0.05758 0.05741 0.08108 -0.10471 -0.03425 188 4XZ -0.08961 0.21058 0.10421 -0.09134 0.02047 189 4YZ -0.01689 0.08579 0.06952 -0.10016 -0.04006 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76591 2.80389 2.86686 2.87995 1 1 C 1S -0.07982 -0.00422 -0.01699 -0.00219 -0.01092 2 2S -0.83714 -0.03455 -0.48230 -0.16651 -0.07343 3 2PX -0.12906 -0.01675 -0.04249 0.00101 -0.02465 4 2PY 0.01612 0.00266 -0.08053 -0.02810 0.00837 5 2PZ 0.01716 -0.01863 -0.09845 0.04598 -0.02222 6 3S 4.27733 0.16144 1.05779 0.35945 0.44511 7 3PX -0.17234 -0.02298 -0.05192 0.08361 -0.04700 8 3PY 1.92017 0.03064 0.68722 0.18303 0.15630 9 3PZ 0.39716 -0.11330 -0.18544 0.05305 -0.17439 10 4XX -0.23990 0.02705 0.18558 -0.01997 0.03293 11 4YY 0.16949 0.01128 0.00204 0.02502 0.00308 12 4ZZ 0.29016 -0.03069 -0.05341 0.06298 -0.02618 13 4XY -0.19868 -0.03008 0.03041 0.01937 -0.04585 14 4XZ 0.28939 0.00063 -0.04615 0.01701 0.03653 15 4YZ 0.07347 -0.02828 -0.12958 0.04421 -0.04026 16 2 H 1S -0.11624 -0.02564 0.04147 -0.01883 -0.02168 17 2S 0.44606 0.01667 0.11991 0.05357 0.03661 18 3 C 1S 0.03643 0.00323 0.00784 0.00508 0.00694 19 2S 0.29406 0.05992 0.04152 -0.01532 0.13545 20 2PX -0.12048 -0.00291 -0.03305 -0.00524 -0.01192 21 2PY 0.19057 0.00780 0.00860 -0.03250 0.04018 22 2PZ -0.08425 -0.01760 -0.01752 0.00477 -0.02913 23 3S -3.14519 -0.20794 -1.03514 -0.26962 -0.42643 24 3PX -1.22974 -0.08265 -0.40700 -0.03830 -0.19539 25 3PY -0.53631 0.05178 -0.22283 -0.14427 0.04299 26 3PZ -1.31400 -0.02255 -0.38903 -0.03343 -0.09447 27 4XX -0.22845 -0.02246 0.00535 0.01803 -0.04928 28 4YY 0.29252 0.00204 -0.00565 -0.04838 -0.01558 29 4ZZ -0.05816 -0.00929 -0.01547 0.05294 0.00266 30 4XY 0.06446 0.00881 -0.03096 -0.01533 0.02449 31 4XZ -0.34518 -0.03737 -0.02878 0.03095 -0.06111 32 4YZ -0.20040 0.00519 0.01934 -0.04911 0.01941 33 4 H 1S 0.12366 0.02203 -0.01169 0.00244 0.02007 34 2S -0.42541 -0.00039 -0.13486 -0.01617 -0.02757 35 5 C 1S -0.03643 0.00323 -0.00784 -0.00508 0.00694 36 2S -0.29405 0.05992 -0.04152 0.01532 0.13545 37 2PX 0.12048 -0.00291 0.03305 0.00524 -0.01192 38 2PY 0.19057 -0.00780 0.00860 -0.03250 -0.04018 39 2PZ 0.08425 -0.01760 0.01752 -0.00477 -0.02913 40 3S 3.14519 -0.20795 1.03514 0.26962 -0.42643 41 3PX 1.22974 -0.08265 0.40700 0.03830 -0.19539 42 3PY -0.53636 -0.05178 -0.22284 -0.14427 -0.04298 43 3PZ 1.31398 -0.02255 0.38902 0.03342 -0.09447 44 4XX 0.22845 -0.02246 -0.00535 -0.01803 -0.04928 45 4YY -0.29251 0.00204 0.00565 0.04838 -0.01558 46 4ZZ 0.05815 -0.00929 0.01547 -0.05294 0.00266 47 4XY 0.06444 -0.00881 -0.03096 -0.01532 -0.02448 48 4XZ 0.34518 -0.03737 0.02878 -0.03095 -0.06111 49 4YZ -0.20041 -0.00519 0.01934 -0.04911 -0.01941 50 6 H 1S -0.12366 0.02203 0.01169 -0.00244 0.02007 51 2S 0.42541 -0.00039 0.13486 0.01617 -0.02757 52 7 C 1S 0.07982 -0.00422 0.01699 0.00219 -0.01092 53 2S 0.83714 -0.03455 0.48230 0.16651 -0.07343 54 2PX 0.12906 -0.01675 0.04249 -0.00101 -0.02465 55 2PY 0.01612 -0.00266 -0.08053 -0.02810 -0.00837 56 2PZ -0.01716 -0.01863 0.09844 -0.04598 -0.02222 57 3S -4.27732 0.16145 -1.05779 -0.35945 0.44511 58 3PX 0.17234 -0.02298 0.05192 -0.08361 -0.04700 59 3PY 1.92019 -0.03064 0.68721 0.18304 -0.15629 60 3PZ -0.39709 -0.11330 0.18546 -0.05304 -0.17439 61 4XX 0.23990 0.02705 -0.18558 0.01997 0.03293 62 4YY -0.16950 0.01128 -0.00204 -0.02502 0.00308 63 4ZZ -0.29016 -0.03068 0.05340 -0.06297 -0.02618 64 4XY -0.19867 0.03008 0.03041 0.01938 0.04585 65 4XZ -0.28940 0.00064 0.04615 -0.01701 0.03653 66 4YZ 0.07348 0.02828 -0.12959 0.04422 0.04026 67 8 H 1S 0.11624 -0.02564 -0.04147 0.01883 -0.02168 68 2S -0.44606 0.01667 -0.11991 -0.05357 0.03661 69 9 C 1S 0.03530 -0.00445 -0.01176 0.00772 -0.00607 70 2S 0.21545 -0.04665 -0.27635 0.03907 0.02170 71 2PX 0.06099 -0.00918 -0.05048 0.01276 0.01709 72 2PY 0.12105 -0.01044 -0.04003 0.01734 0.00856 73 2PZ 0.20588 -0.00095 0.06668 0.02579 -0.00322 74 3S -2.28326 0.12448 0.19920 -0.33578 0.04002 75 3PX 0.34303 0.03078 0.49663 -0.02454 -0.05188 76 3PY 0.21074 -0.01824 -0.04623 -0.02018 -0.04529 77 3PZ 0.97269 -0.04578 -0.40374 0.15963 0.01750 78 4XX 0.01235 -0.00316 0.06135 0.01237 -0.01492 79 4YY 0.35546 -0.00825 -0.13328 0.04037 -0.02523 80 4ZZ -0.36192 0.01977 0.14065 -0.04831 0.00309 81 4XY -0.04692 0.00771 0.04526 -0.00379 0.02317 82 4XZ -0.17542 -0.00247 0.08612 -0.02021 -0.01351 83 4YZ -0.15773 0.01570 0.03241 -0.01508 0.01006 84 10 H 1S 0.08220 -0.00730 0.06372 0.00166 -0.02116 85 2S 0.07225 0.01782 0.22400 -0.01484 -0.02809 86 11 H 1S 0.09126 0.00556 -0.11181 0.02476 0.02014 87 2S 0.08267 -0.05642 -0.10171 0.00537 0.00225 88 12 C 1S -0.03530 -0.00445 0.01176 -0.00772 -0.00607 89 2S -0.21545 -0.04664 0.27635 -0.03907 0.02170 90 2PX -0.06099 -0.00918 0.05048 -0.01276 0.01709 91 2PY 0.12106 0.01044 -0.04003 0.01734 -0.00856 92 2PZ -0.20588 -0.00095 -0.06668 -0.02579 -0.00322 93 3S 2.28326 0.12448 -0.19920 0.33578 0.04002 94 3PX -0.34303 0.03078 -0.49663 0.02454 -0.05188 95 3PY 0.21078 0.01824 -0.04624 -0.02018 0.04529 96 3PZ -0.97268 -0.04577 0.40374 -0.15963 0.01751 97 4XX -0.01235 -0.00316 -0.06135 -0.01237 -0.01492 98 4YY -0.35545 -0.00825 0.13328 -0.04037 -0.02523 99 4ZZ 0.36191 0.01977 -0.14064 0.04830 0.00308 100 4XY -0.04693 -0.00771 0.04526 -0.00379 -0.02317 101 4XZ 0.17541 -0.00247 -0.08612 0.02021 -0.01352 102 4YZ -0.15776 -0.01570 0.03242 -0.01508 -0.01006 103 13 H 1S -0.08220 -0.00730 -0.06372 -0.00166 -0.02116 104 2S -0.07225 0.01782 -0.22400 0.01484 -0.02809 105 14 H 1S -0.09126 0.00556 0.11181 -0.02476 0.02014 106 2S -0.08267 -0.05642 0.10171 -0.00537 0.00225 107 15 C 1S 0.00000 0.02773 0.00000 0.00000 -0.07867 108 2S 0.00000 -0.01875 0.00000 0.00000 0.25243 109 2PX 0.00000 0.05927 0.00000 0.00000 -0.29563 110 2PY 0.39083 0.00000 0.51832 -0.34019 0.00001 111 2PZ 0.00001 0.07564 0.00001 -0.00001 -0.32734 112 3S 0.00000 -0.75691 0.00000 0.00000 2.15263 113 3PX 0.00000 0.00933 0.00000 0.00000 -0.37834 114 3PY 0.38419 0.00000 0.28912 -0.32208 0.00001 115 3PZ 0.00001 -0.03199 0.00001 -0.00001 -0.35552 116 4XX 0.00000 0.39411 0.00000 0.00000 -0.35335 117 4YY 0.00001 -0.74233 0.00001 -0.00001 0.56668 118 4ZZ -0.00001 0.40250 -0.00001 0.00001 -0.24784 119 4XY -0.35231 0.00000 -0.39846 0.12337 0.00000 120 4XZ -0.00001 0.14356 -0.00001 0.00000 0.16513 121 4YZ -0.31674 -0.00003 -0.32483 0.27979 0.00002 122 16 C 1S 0.02040 0.02612 0.10187 -0.01586 0.02803 123 2S 0.15112 -0.09141 0.64202 0.06178 -0.18665 124 2PX -0.04673 -0.25701 -0.27625 -0.09545 -0.32201 125 2PY 0.13905 0.17846 -0.23353 0.28264 0.08269 126 2PZ -0.05913 -0.16148 -0.03075 -0.07271 -0.22878 127 3S -1.07822 -0.60958 -5.68234 0.43015 -0.97023 128 3PX -0.11835 -0.18940 -0.75612 -0.02191 -0.37014 129 3PY -0.02873 0.16184 -2.30580 0.29543 0.32763 130 3PZ -0.50478 -0.19709 -1.89537 -0.01340 -0.33071 131 4XX -0.21064 -0.03748 0.18625 -0.23078 -0.22109 132 4YY 0.32779 -0.04498 -0.47818 0.55699 0.21560 133 4ZZ -0.03549 0.09116 0.11935 -0.30816 -0.07964 134 4XY 0.04320 0.25628 0.00803 -0.44737 0.13246 135 4XZ -0.00895 -0.18772 -0.42152 -0.10651 -0.37876 136 4YZ 0.05477 0.18864 -0.38951 -0.50473 0.10498 137 17 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 138 2S -0.15113 -0.09141 -0.64202 -0.06178 -0.18665 139 2PX 0.04673 -0.25701 0.27625 0.09545 -0.32201 140 2PY 0.13905 -0.17845 -0.23353 0.28263 -0.08268 141 2PZ 0.05914 -0.16148 0.03074 0.07272 -0.22879 142 3S 1.07822 -0.60958 5.68235 -0.43015 -0.97023 143 3PX 0.11835 -0.18940 0.75612 0.02191 -0.37014 144 3PY -0.02875 -0.16184 -2.30588 0.29543 -0.32762 145 3PZ 0.50478 -0.19710 1.89528 0.01341 -0.33072 146 4XX 0.21064 -0.03749 -0.18625 0.23078 -0.22109 147 4YY -0.32780 -0.04497 0.47821 -0.55696 0.21561 148 4ZZ 0.03549 0.09115 -0.11938 0.30813 -0.07965 149 4XY 0.04320 -0.25628 0.00801 -0.44737 -0.13244 150 4XZ 0.00895 -0.18773 0.42152 0.10650 -0.37877 151 4YZ 0.05475 -0.18865 -0.38948 -0.50476 -0.10497 152 18 H 1S 0.00000 -0.07778 0.00000 0.00000 0.00249 153 2S 0.00000 0.16849 0.00000 0.00000 -0.15177 154 19 H 1S -0.04898 -0.02768 0.25011 0.27606 0.05036 155 2S 0.04068 0.05111 -0.71653 -0.10445 0.01789 156 20 H 1S 0.04898 -0.02768 -0.25011 -0.27606 0.05036 157 2S -0.04068 0.05111 0.71653 0.10445 0.01789 158 21 H 1S 0.00000 -0.09324 0.00000 0.00000 -0.05902 159 2S 0.00000 0.22036 0.00000 0.00000 -0.15263 160 22 O 1S 0.02198 -0.04852 0.03128 -0.03037 0.00136 161 2S 0.42700 -0.32930 0.85420 -0.04168 0.00695 162 2PX -0.00656 0.00128 -0.05071 -0.02991 0.04383 163 2PY 0.00616 -0.07698 -0.04191 -0.02985 -0.05007 164 2PZ 0.01053 0.00313 -0.01563 -0.02245 0.03257 165 3S -1.35543 1.35343 -2.86363 0.44194 -0.02054 166 3PX 0.11318 -0.25808 0.65495 0.18013 -1.07641 167 3PY 0.45650 -0.17199 0.96878 -0.06257 0.44104 168 3PZ -0.05632 -0.12544 0.17159 0.15484 -0.86907 169 4XX 0.07411 0.23273 -0.02379 0.04084 0.31490 170 4YY -0.17109 -0.51153 -0.23120 -0.15080 -0.30412 171 4ZZ 0.09891 0.06926 0.25482 -0.07248 0.05388 172 4XY 0.11083 -0.11500 -0.06525 -0.43298 0.64992 173 4XZ -0.16071 0.60832 -0.24013 0.17637 0.18672 174 4YZ 0.13755 -0.14052 0.13004 -0.28900 0.54311 175 23 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00136 176 2S -0.42700 -0.32929 -0.85420 0.04168 0.00695 177 2PX 0.00656 0.00128 0.05071 0.02991 0.04383 178 2PY 0.00616 0.07698 -0.04191 -0.02985 0.05007 179 2PZ -0.01053 0.00313 0.01563 0.02245 0.03257 180 3S 1.35543 1.35342 2.86363 -0.44194 -0.02054 181 3PX -0.11318 -0.25808 -0.65495 -0.18013 -1.07641 182 3PY 0.45650 0.17199 0.96878 -0.06257 -0.44101 183 3PZ 0.05633 -0.12543 -0.17155 -0.15485 -0.86908 184 4XX -0.07411 0.23273 0.02379 -0.04084 0.31490 185 4YY 0.17108 -0.51154 0.23119 0.15082 -0.30408 186 4ZZ -0.09890 0.06927 -0.25481 0.07246 0.05385 187 4XY 0.11082 0.11497 -0.06526 -0.43298 -0.64993 188 4XZ 0.16072 0.60832 0.24013 -0.17639 0.18670 189 4YZ 0.13756 0.14049 0.13006 -0.28900 -0.54313 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10576 3.13119 4.00621 4.10575 1 1 C 1S -0.00270 -0.00737 0.05161 0.01872 -0.02612 2 2S 0.22325 -0.37733 0.09988 -0.25465 0.58059 3 2PX -0.21132 -0.01241 0.17929 -0.02142 0.05977 4 2PY 0.14419 -0.05423 -0.05560 -0.00595 0.00030 5 2PZ -0.24009 -0.02624 0.11043 -0.02751 0.03781 6 3S 0.36158 0.85282 -1.91450 0.29236 -1.23092 7 3PX -0.85912 0.08788 0.11731 -0.05157 -0.09006 8 3PY -0.03526 0.47502 -0.86064 0.18169 -0.81109 9 3PZ -1.12976 0.03590 -0.21912 -0.07148 -0.20539 10 4XX 0.15723 0.07174 -0.09819 0.13838 -0.26065 11 4YY 0.04305 0.11036 0.46048 0.10323 -0.20085 12 4ZZ -0.17128 -0.02601 -0.34372 0.09647 -0.23213 13 4XY -0.39088 0.01013 -0.01685 -0.03131 0.01395 14 4XZ 0.17250 -0.07727 -0.44751 0.01483 -0.08639 15 4YZ -0.46129 0.01154 0.00066 -0.04410 -0.00809 16 2 H 1S -0.03106 -0.04413 -0.20524 -0.01768 0.00165 17 2S -0.00283 0.14005 -0.04752 0.08714 -0.23778 18 3 C 1S 0.00099 0.00437 -0.05714 -0.03379 0.00891 19 2S -0.02736 0.22677 0.08210 0.31080 -0.39547 20 2PX -0.17679 0.01768 0.08613 -0.02376 0.02796 21 2PY 0.40580 -0.01752 0.07880 0.03270 0.02158 22 2PZ -0.16367 -0.00507 0.04918 -0.03625 0.03557 23 3S 0.11097 -1.02812 2.10578 -0.18962 1.45243 24 3PX -0.68054 -0.37075 0.61971 -0.12022 0.55495 25 3PY 1.46895 -0.34325 0.58816 0.03481 0.60838 26 3PZ -0.46011 -0.21246 0.71482 -0.05092 0.45539 27 4XX -0.35291 -0.04134 -0.14037 -0.18801 0.14995 28 4YY 0.64466 -0.00445 0.38788 -0.14225 0.22117 29 4ZZ -0.26145 -0.05607 -0.35629 -0.15354 0.10011 30 4XY 0.27744 -0.13525 -0.55066 0.01525 -0.01980 31 4XZ -0.38721 -0.03621 0.02799 -0.03909 0.07220 32 4YZ 0.31026 -0.08207 -0.45046 0.01224 -0.04286 33 4 H 1S 0.00031 0.07450 0.29571 0.03219 0.00484 34 2S 0.02803 -0.12661 0.07924 -0.03813 0.21909 35 5 C 1S -0.00099 -0.00437 0.05714 -0.03379 -0.00891 36 2S 0.02736 -0.22677 -0.08210 0.31080 0.39548 37 2PX 0.17679 -0.01768 -0.08613 -0.02376 -0.02796 38 2PY 0.40580 -0.01752 0.07880 -0.03270 0.02158 39 2PZ 0.16369 0.00507 -0.04917 -0.03625 -0.03557 40 3S -0.11097 1.02812 -2.10578 -0.18962 -1.45243 41 3PX 0.68054 0.37075 -0.61971 -0.12022 -0.55496 42 3PY 1.46893 -0.34326 0.58818 -0.03481 0.60840 43 3PZ 0.46016 0.21245 -0.71479 -0.05092 -0.45537 44 4XX 0.35291 0.04134 0.14037 -0.18801 -0.14995 45 4YY -0.64468 0.00445 -0.38785 -0.14225 -0.22117 46 4ZZ 0.26147 0.05607 0.35626 -0.15354 -0.10012 47 4XY 0.27742 -0.13525 -0.55065 -0.01525 -0.01980 48 4XZ 0.38722 0.03621 -0.02801 -0.03909 -0.07220 49 4YZ 0.31022 -0.08208 -0.45049 -0.01224 -0.04286 50 6 H 1S -0.00031 -0.07450 -0.29571 0.03219 -0.00483 51 2S -0.02803 0.12661 -0.07924 -0.03813 -0.21909 52 7 C 1S 0.00270 0.00737 -0.05161 0.01872 0.02612 53 2S -0.22325 0.37733 -0.09988 -0.25465 -0.58058 54 2PX 0.21132 0.01241 -0.17929 -0.02142 -0.05977 55 2PY 0.14418 -0.05423 -0.05559 0.00596 0.00030 56 2PZ 0.24010 0.02624 -0.11044 -0.02751 -0.03781 57 3S -0.36158 -0.85282 1.91450 0.29237 1.23093 58 3PX 0.85912 -0.08788 -0.11731 -0.05157 0.09006 59 3PY -0.03530 0.47503 -0.86065 -0.18169 -0.81110 60 3PZ 1.12976 -0.03589 0.21908 -0.07149 0.20536 61 4XX -0.15723 -0.07174 0.09819 0.13838 0.26064 62 4YY -0.04301 -0.11036 -0.46048 0.10322 0.20085 63 4ZZ 0.17125 0.02601 0.34372 0.09647 0.23213 64 4XY -0.39087 0.01012 -0.01687 0.03131 0.01394 65 4XZ -0.17252 0.07727 0.44751 0.01483 0.08639 66 4YZ -0.46130 0.01154 0.00062 0.04410 -0.00809 67 8 H 1S 0.03106 0.04413 0.20524 -0.01768 -0.00165 68 2S 0.00283 -0.14005 0.04752 0.08714 0.23778 69 9 C 1S -0.00107 -0.00688 -0.03691 0.06653 -0.01617 70 2S 0.06637 -0.19564 0.02986 -0.46104 -0.06831 71 2PX -0.03444 -0.02766 -0.02570 -0.01905 -0.03804 72 2PY -0.12629 0.00899 -0.05810 -0.02753 -0.01920 73 2PZ -0.12791 0.05878 -0.14380 0.00922 -0.03087 74 3S 0.24494 0.11434 1.19792 -0.20582 0.86971 75 3PX -0.09387 0.34144 -0.16162 0.12599 -0.03453 76 3PY -0.72617 0.15679 0.02067 0.03486 0.17300 77 3PZ -0.55367 -0.09801 -0.32377 0.00222 -0.47717 78 4XX 0.01177 0.01198 -0.20102 0.28889 -0.05227 79 4YY -0.36524 0.06424 -0.00091 0.24091 -0.00121 80 4ZZ 0.34535 0.00598 0.07852 0.24874 0.04221 81 4XY 0.04030 0.02391 0.06245 0.00048 -0.00707 82 4XZ 0.11567 0.00297 -0.01334 -0.02081 0.06515 83 4YZ 0.10578 0.03770 0.31211 -0.00150 0.01852 84 10 H 1S -0.00178 0.03760 -0.01599 -0.02332 0.01833 85 2S -0.00279 0.13850 -0.07819 0.11747 0.06012 86 11 H 1S -0.01114 -0.03982 0.04580 -0.01862 -0.10073 87 2S 0.00858 -0.10169 -0.09748 -0.03428 0.14548 88 12 C 1S 0.00107 0.00688 0.03691 0.06653 0.01617 89 2S -0.06637 0.19564 -0.02986 -0.46104 0.06832 90 2PX 0.03444 0.02766 0.02570 -0.01905 0.03804 91 2PY -0.12630 0.00899 -0.05811 0.02753 -0.01920 92 2PZ 0.12790 -0.05878 0.14380 0.00922 0.03087 93 3S -0.24494 -0.11434 -1.19792 -0.20582 -0.86970 94 3PX 0.09386 -0.34144 0.16162 0.12599 0.03453 95 3PY -0.72619 0.15679 0.02066 -0.03486 0.17298 96 3PZ 0.55364 0.09801 0.32377 0.00222 0.47718 97 4XX -0.01177 -0.01198 0.20102 0.28889 0.05226 98 4YY 0.36523 -0.06425 0.00089 0.24091 0.00120 99 4ZZ -0.34534 -0.00598 -0.07850 0.24874 -0.04221 100 4XY 0.04030 0.02391 0.06245 -0.00048 -0.00707 101 4XZ -0.11567 -0.00297 0.01334 -0.02081 -0.06515 102 4YZ 0.10581 0.03770 0.31212 0.00150 0.01852 103 13 H 1S 0.00178 -0.03760 0.01599 -0.02332 -0.01833 104 2S 0.00279 -0.13850 0.07819 0.11747 -0.06012 105 14 H 1S 0.01114 0.03982 -0.04580 -0.01862 0.10073 106 2S -0.00858 0.10169 0.09748 -0.03428 -0.14548 107 15 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00000 108 2S 0.00000 0.00000 0.00000 0.95151 0.00000 109 2PX 0.00000 0.00000 0.00000 0.13752 0.00000 110 2PY -0.14721 -0.36052 0.02385 0.00000 -0.06093 111 2PZ 0.00000 -0.00001 0.00000 0.11879 0.00000 112 3S 0.00000 0.00000 0.00000 -2.06033 0.00000 113 3PX 0.00000 0.00000 0.00000 0.55600 0.00000 114 3PY -0.11067 -0.80259 0.11803 -0.00001 -0.41056 115 3PZ 0.00000 -0.00002 0.00000 0.60170 -0.00001 116 4XX 0.00000 0.00000 0.00000 -0.55713 0.00000 117 4YY 0.00000 -0.00001 0.00000 -0.37552 0.00000 118 4ZZ 0.00000 0.00001 0.00000 -0.55297 0.00000 119 4XY 0.09550 0.36565 -0.03343 0.00000 -0.04177 120 4XZ 0.00000 0.00001 0.00000 -0.05093 0.00000 121 4YZ 0.09449 0.34659 -0.03846 0.00000 -0.11136 122 16 C 1S -0.01522 0.05496 -0.02321 -0.01587 0.08292 123 2S -0.20092 0.14353 -0.05594 0.24707 -0.77033 124 2PX 0.01440 -0.40497 0.06174 -0.05284 0.15496 125 2PY 0.06655 0.23588 -0.03992 0.04193 0.10383 126 2PZ -0.03111 -0.19924 0.03805 -0.00441 0.06218 127 3S 1.13267 -2.85753 1.07598 -0.87278 2.53947 128 3PX 0.19106 -1.00646 0.26718 -0.33959 1.11914 129 3PY 0.48972 -0.28834 0.34376 0.07259 0.49201 130 3PZ 0.48588 -1.49291 0.47214 -0.33695 1.34337 131 4XX -0.03892 -0.30789 0.04763 -0.04392 0.40575 132 4YY 0.12586 0.24506 -0.03998 -0.07699 0.50488 133 4ZZ -0.00489 0.00966 -0.03495 -0.05314 0.37536 134 4XY -0.02562 0.44146 -0.06488 -0.08594 0.01245 135 4XZ 0.03147 -0.47077 0.07863 -0.05437 0.12129 136 4YZ -0.01450 0.33451 -0.07141 -0.06455 0.03971 137 17 C 1S 0.01522 -0.05496 0.02321 -0.01587 -0.08292 138 2S 0.20092 -0.14353 0.05594 0.24707 0.77034 139 2PX -0.01440 0.40497 -0.06174 -0.05284 -0.15496 140 2PY 0.06654 0.23587 -0.03991 -0.04193 0.10383 141 2PZ 0.03111 0.19925 -0.03805 -0.00441 -0.06217 142 3S -1.13267 2.85753 -1.07598 -0.87278 -2.53947 143 3PX -0.19106 1.00646 -0.26718 -0.33959 -1.11914 144 3PY 0.48974 -0.28840 0.34378 -0.07258 0.49206 145 3PZ -0.48586 1.49290 -0.47212 -0.33695 -1.34335 146 4XX 0.03892 0.30789 -0.04763 -0.04392 -0.40576 147 4YY -0.12586 -0.24508 0.03998 -0.07699 -0.50488 148 4ZZ 0.00489 -0.00964 0.03494 -0.05314 -0.37536 149 4XY -0.02562 0.44144 -0.06487 0.08594 0.01245 150 4XZ -0.03147 0.47079 -0.07863 -0.05437 -0.12129 151 4YZ -0.01451 0.33450 -0.07141 0.06454 0.03970 152 18 H 1S 0.00000 0.00000 0.00000 0.22760 0.00000 153 2S 0.00000 0.00000 0.00000 0.00610 0.00000 154 19 H 1S 0.01791 -0.14805 0.05656 0.08758 -0.07018 155 2S 0.14515 -0.20832 0.09786 -0.04062 0.40000 156 20 H 1S -0.01791 0.14805 -0.05656 0.08758 0.07018 157 2S -0.14515 0.20832 -0.09786 -0.04062 -0.40000 158 21 H 1S 0.00000 0.00000 0.00000 0.22973 0.00000 159 2S 0.00000 0.00000 0.00000 -0.03671 0.00000 160 22 O 1S -0.00778 -0.00147 0.00816 -0.38220 -0.40004 161 2S -0.14687 0.41006 -0.13659 -0.38931 -0.57620 162 2PX -0.00761 0.00747 0.00147 0.05583 0.07600 163 2PY 0.00948 0.02955 -0.00258 0.13500 0.17065 164 2PZ -0.00771 0.00940 -0.00616 0.02057 0.00398 165 3S 0.59133 -1.45537 0.40937 4.65326 5.24249 166 3PX -0.06261 1.36953 -0.28266 -0.18049 -0.81934 167 3PY -0.20475 -0.03402 -0.06796 -0.95524 -0.82542 168 3PZ 0.02829 0.98150 -0.16645 -0.01583 -0.39206 169 4XX 0.00149 -0.50056 0.12340 -1.23307 -1.20347 170 4YY 0.04090 0.38771 -0.02776 -1.13384 -1.25948 171 4ZZ -0.04664 -0.13363 0.04520 -1.29787 -1.35578 172 4XY -0.04402 -0.42484 0.07217 -0.03974 0.14550 173 4XZ 0.02099 -0.40044 0.06589 0.08293 0.23280 174 4YZ -0.07276 -0.38082 0.05782 -0.08590 0.07046 175 23 O 1S 0.00778 0.00147 -0.00816 -0.38220 0.40004 176 2S 0.14687 -0.41006 0.13659 -0.38931 0.57620 177 2PX 0.00761 -0.00747 -0.00147 0.05583 -0.07600 178 2PY 0.00948 0.02955 -0.00258 -0.13500 0.17065 179 2PZ 0.00771 -0.00940 0.00616 0.02056 -0.00398 180 3S -0.59133 1.45537 -0.40937 4.65327 -5.24248 181 3PX 0.06261 -1.36953 0.28266 -0.18049 0.81934 182 3PY -0.20474 -0.03398 -0.06796 0.95524 -0.82543 183 3PZ -0.02830 -0.98150 0.16644 -0.01580 0.39202 184 4XX -0.00149 0.50056 -0.12340 -1.23307 1.20347 185 4YY -0.04090 -0.38768 0.02776 -1.13385 1.25948 186 4ZZ 0.04664 0.13360 -0.04519 -1.29786 1.35578 187 4XY -0.04402 -0.42485 0.07217 0.03974 0.14551 188 4XZ -0.02099 0.40042 -0.06588 0.08293 -0.23279 189 4YZ -0.07276 -0.38084 0.05783 0.08591 0.07046 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25203 4.26809 4.36206 4.37018 1 1 C 1S -0.10991 -0.06750 -0.02797 -0.12708 -0.19384 2 2S 0.69615 0.34296 0.06221 0.55857 0.67731 3 2PX -0.05141 0.09098 -0.03158 -0.00725 -0.09422 4 2PY 0.04693 -0.05455 0.00658 -0.02418 -0.04397 5 2PZ -0.00560 0.10238 -0.00155 0.01737 -0.02712 6 3S 0.23768 0.50315 0.05702 0.67992 1.49643 7 3PX -0.03896 -0.16176 0.10917 0.07503 -0.08011 8 3PY 0.00497 0.15511 0.10792 0.10220 0.70494 9 3PZ -0.03951 -0.19920 0.06667 -0.13905 0.01787 10 4XX -0.38371 -0.31950 -0.04963 -0.40209 -0.61316 11 4YY -0.43502 -0.27953 -0.10324 -0.49493 -0.60516 12 4ZZ -0.33223 -0.22098 -0.01354 -0.40651 -0.54939 13 4XY -0.03497 0.07466 0.01678 0.03141 -0.05352 14 4XZ 0.07329 -0.04742 0.02947 -0.03617 0.13772 15 4YZ 0.00685 0.09565 0.01761 0.00654 -0.01179 16 2 H 1S 0.06190 0.03235 0.03186 0.04767 0.07622 17 2S -0.09576 -0.01853 0.01563 -0.11207 0.06930 18 3 C 1S -0.19907 0.26089 -0.08460 -0.04540 -0.23407 19 2S 1.36018 -1.42303 0.52573 0.30996 1.44017 20 2PX -0.01081 0.10547 -0.01642 0.01671 -0.05131 21 2PY 0.05856 -0.05466 0.03044 -0.00792 -0.17044 22 2PZ 0.00893 0.06996 0.00807 0.04122 -0.01012 23 3S 0.35632 -1.12985 0.30805 -0.08070 0.43243 24 3PX -0.04304 -0.24740 0.00224 -0.07930 -0.22249 25 3PY -0.02079 0.03255 -0.08952 0.01355 0.12380 26 3PZ -0.07002 -0.16174 -0.04672 -0.08661 -0.35812 27 4XX -0.78721 1.01434 -0.31981 -0.15061 -0.89775 28 4YY -0.73405 0.88722 -0.30691 -0.16343 -1.13782 29 4ZZ -0.78827 1.02344 -0.33941 -0.17310 -0.89949 30 4XY 0.00316 -0.02561 0.00046 -0.02792 0.02962 31 4XZ -0.01737 0.02811 -0.01100 0.00843 -0.00806 32 4YZ -0.00185 -0.03114 -0.00867 -0.04187 -0.00221 33 4 H 1S 0.08719 -0.09944 0.02932 0.04029 0.06156 34 2S -0.18577 0.14601 -0.12020 -0.09049 -0.28247 35 5 C 1S -0.19907 0.26089 -0.08460 -0.04540 0.23407 36 2S 1.36017 -1.42302 0.52573 0.30995 -1.44017 37 2PX -0.01080 0.10547 -0.01642 0.01671 0.05131 38 2PY -0.05856 0.05466 -0.03044 0.00792 -0.17044 39 2PZ 0.00893 0.06996 0.00807 0.04122 0.01012 40 3S 0.35633 -1.12985 0.30805 -0.08070 -0.43243 41 3PX -0.04304 -0.24740 0.00224 -0.07930 0.22249 42 3PY 0.02079 -0.03254 0.08952 -0.01354 0.12378 43 3PZ -0.07002 -0.16174 -0.04672 -0.08661 0.35812 44 4XX -0.78721 1.01434 -0.31980 -0.15061 0.89776 45 4YY -0.73405 0.88721 -0.30691 -0.16343 1.13782 46 4ZZ -0.78827 1.02344 -0.33941 -0.17310 0.89949 47 4XY -0.00316 0.02561 -0.00046 0.02792 0.02962 48 4XZ -0.01737 0.02811 -0.01100 0.00843 0.00806 49 4YZ 0.00185 0.03113 0.00868 0.04187 -0.00220 50 6 H 1S 0.08719 -0.09944 0.02932 0.04029 -0.06156 51 2S -0.18576 0.14601 -0.12020 -0.09048 0.28247 52 7 C 1S -0.10991 -0.06750 -0.02797 -0.12708 0.19384 53 2S 0.69616 0.34296 0.06221 0.55856 -0.67731 54 2PX -0.05141 0.09098 -0.03158 -0.00725 0.09422 55 2PY -0.04693 0.05454 -0.00658 0.02418 -0.04397 56 2PZ -0.00560 0.10239 -0.00155 0.01738 0.02712 57 3S 0.23767 0.50315 0.05702 0.67992 -1.49643 58 3PX -0.03896 -0.16176 0.10917 0.07503 0.08011 59 3PY -0.00496 -0.15511 -0.10792 -0.10219 0.70494 60 3PZ -0.03951 -0.19921 0.06666 -0.13906 -0.01785 61 4XX -0.38371 -0.31950 -0.04963 -0.40209 0.61315 62 4YY -0.43502 -0.27953 -0.10324 -0.49492 0.60516 63 4ZZ -0.33223 -0.22099 -0.01354 -0.40651 0.54939 64 4XY 0.03497 -0.07466 -0.01679 -0.03141 -0.05351 65 4XZ 0.07329 -0.04742 0.02947 -0.03617 -0.13773 66 4YZ -0.00686 -0.09565 -0.01762 -0.00654 -0.01178 67 8 H 1S 0.06190 0.03235 0.03186 0.04767 -0.07622 68 2S -0.09576 -0.01853 0.01563 -0.11207 -0.06930 69 9 C 1S -0.14561 -0.21557 -0.11469 -0.13169 -0.11915 70 2S 0.90784 1.08855 0.64713 0.60510 0.82001 71 2PX -0.00340 0.01852 -0.01041 -0.04726 -0.01355 72 2PY 0.02243 0.00013 0.01532 -0.01490 -0.03980 73 2PZ -0.01942 0.03381 0.03516 0.03760 0.02207 74 3S 0.48738 0.94700 0.35305 0.53370 -0.07875 75 3PX 0.01736 -0.02335 0.07101 0.18573 0.21851 76 3PY -0.06770 -0.06734 -0.01879 -0.02670 -0.13382 77 3PZ 0.08593 -0.04604 0.02133 -0.07456 0.30254 78 4XX -0.57847 -0.82329 -0.44143 -0.48417 -0.48338 79 4YY -0.50052 -0.70370 -0.39407 -0.42638 -0.56236 80 4ZZ -0.56882 -0.80155 -0.46359 -0.45553 -0.46909 81 4XY 0.00709 -0.00234 -0.00011 -0.00630 0.01886 82 4XZ 0.00277 0.01461 -0.01213 0.01370 0.02760 83 4YZ 0.01476 0.01446 0.00123 0.04841 0.03770 84 10 H 1S 0.05448 0.05965 0.04197 0.05722 0.08179 85 2S -0.17674 -0.22840 -0.07682 -0.01556 -0.14863 86 11 H 1S 0.06194 0.06902 0.03397 0.02826 0.03716 87 2S -0.18201 -0.21814 -0.14851 -0.26752 -0.21408 88 12 C 1S -0.14561 -0.21557 -0.11469 -0.13169 0.11915 89 2S 0.90784 1.08855 0.64713 0.60510 -0.82001 90 2PX -0.00340 0.01852 -0.01041 -0.04726 0.01355 91 2PY -0.02243 -0.00013 -0.01533 0.01490 -0.03980 92 2PZ -0.01942 0.03381 0.03516 0.03760 -0.02207 93 3S 0.48739 0.94700 0.35305 0.53370 0.07874 94 3PX 0.01736 -0.02335 0.07101 0.18573 -0.21851 95 3PY 0.06770 0.06734 0.01879 0.02670 -0.13381 96 3PZ 0.08593 -0.04604 0.02133 -0.07456 -0.30254 97 4XX -0.57847 -0.82329 -0.44143 -0.48417 0.48339 98 4YY -0.50052 -0.70370 -0.39407 -0.42638 0.56236 99 4ZZ -0.56882 -0.80156 -0.46359 -0.45553 0.46909 100 4XY -0.00709 0.00234 0.00011 0.00630 0.01886 101 4XZ 0.00277 0.01461 -0.01213 0.01370 -0.02760 102 4YZ -0.01476 -0.01445 -0.00122 -0.04841 0.03770 103 13 H 1S 0.05449 0.05965 0.04197 0.05722 -0.08179 104 2S -0.17674 -0.22840 -0.07682 -0.01556 0.14863 105 14 H 1S 0.06194 0.06902 0.03397 0.02826 -0.03716 106 2S -0.18201 -0.21814 -0.14851 -0.26752 0.21408 107 15 C 1S 0.06724 -0.05282 -0.40592 0.21153 0.00000 108 2S -0.25831 0.37115 2.24815 -1.34962 0.00000 109 2PX 0.00837 0.05117 0.11161 -0.04492 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00150 111 2PZ 0.00504 0.06355 0.10704 -0.04134 0.00000 112 3S -0.67835 -0.51184 2.05283 -1.32868 0.00000 113 3PX 0.13193 0.20290 -0.09317 -0.02952 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.14476 115 3PZ 0.09210 0.13861 -0.02571 -0.04791 0.00000 116 4XX 0.21283 -0.22465 -1.53737 0.88464 0.00000 117 4YY 0.23198 -0.21334 -1.73828 0.98687 0.00000 118 4ZZ 0.22388 -0.24401 -1.56213 0.85071 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00710 120 4XZ -0.03895 -0.03610 -0.03269 0.07873 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00642 122 16 C 1S -0.19128 -0.07297 0.14515 0.25574 -0.11795 123 2S 1.23012 0.54256 -0.63422 -1.30939 0.92776 124 2PX -0.05215 -0.01534 0.00532 0.01098 -0.03725 125 2PY 0.06974 0.06631 0.00608 -0.03771 -0.08656 126 2PZ -0.03585 -0.00411 0.04881 0.08642 -0.03192 127 3S 0.46732 -0.12373 -0.41161 -1.23922 0.31616 128 3PX 0.05190 -0.27416 0.01900 0.02013 0.32891 129 3PY -0.03772 -0.04788 -0.18473 0.09215 -0.03822 130 3PZ -0.00226 -0.29389 -0.16508 -0.24565 -0.02353 131 4XX -0.77667 -0.32343 0.50712 0.99708 -0.55962 132 4YY -0.69152 -0.27498 0.44732 0.87275 -0.64060 133 4ZZ -0.76246 -0.32067 0.52729 0.98210 -0.51959 134 4XY 0.01169 0.00350 -0.02672 -0.04985 0.03220 135 4XZ -0.01768 -0.06142 -0.00855 0.06508 -0.00593 136 4YZ -0.00492 0.02030 0.00692 0.00400 -0.00790 137 17 C 1S -0.19128 -0.07297 0.14515 0.25574 0.11795 138 2S 1.23011 0.54256 -0.63422 -1.30939 -0.92775 139 2PX -0.05215 -0.01534 0.00532 0.01098 0.03725 140 2PY -0.06974 -0.06631 -0.00608 0.03771 -0.08656 141 2PZ -0.03586 -0.00412 0.04881 0.08642 0.03191 142 3S 0.46734 -0.12373 -0.41161 -1.23922 -0.31616 143 3PX 0.05191 -0.27416 0.01900 0.02013 -0.32891 144 3PY 0.03772 0.04789 0.18473 -0.09214 -0.03822 145 3PZ -0.00224 -0.29388 -0.16507 -0.24565 0.02353 146 4XX -0.77667 -0.32343 0.50712 0.99708 0.55961 147 4YY -0.69152 -0.27498 0.44733 0.87275 0.64060 148 4ZZ -0.76245 -0.32067 0.52729 0.98210 0.51959 149 4XY -0.01169 -0.00349 0.02672 0.04984 0.03220 150 4XZ -0.01768 -0.06142 -0.00855 0.06509 0.00593 151 4YZ 0.00492 -0.02030 -0.00693 -0.00400 -0.00789 152 18 H 1S 0.00423 0.05875 0.08711 -0.02327 0.00000 153 2S 0.07079 -0.04080 -0.42367 0.27737 0.00000 154 19 H 1S 0.09945 0.01252 -0.08137 -0.07090 0.08960 155 2S -0.18691 -0.17307 0.01697 0.20806 -0.13721 156 20 H 1S 0.09945 0.01252 -0.08137 -0.07090 -0.08960 157 2S -0.18690 -0.17307 0.01697 0.20806 0.13721 158 21 H 1S 0.00038 0.06945 0.08060 -0.02108 0.00000 159 2S 0.13001 0.03731 -0.44945 0.33236 0.00000 160 22 O 1S -0.01897 -0.09694 0.06219 -0.11349 -0.05526 161 2S -0.04201 -0.20537 -0.03585 -0.09094 -0.03459 162 2PX -0.03446 -0.00225 0.04231 0.04605 0.02270 163 2PY 0.00361 0.02741 -0.05074 0.07973 0.03102 164 2PZ -0.03322 -0.00118 0.03427 0.01602 0.02039 165 3S 0.27712 1.47837 -0.67570 1.52542 0.68519 166 3PX -0.02117 -0.14841 0.04669 -0.11363 0.04064 167 3PY -0.10417 -0.36497 -0.07355 -0.10067 -0.06050 168 3PZ 0.01860 -0.05680 0.08287 0.00383 -0.00982 169 4XX -0.00417 -0.26615 0.16931 -0.44034 -0.23251 170 4YY -0.07112 -0.25328 0.41482 -0.46459 -0.18869 171 4ZZ -0.03520 -0.31329 0.17575 -0.43531 -0.19910 172 4XY 0.04943 0.01879 -0.14322 0.02005 -0.03238 173 4XZ 0.06883 0.07569 0.01340 -0.13458 -0.04372 174 4YZ 0.02818 -0.01155 -0.14877 0.02489 -0.02478 175 23 O 1S -0.01897 -0.09694 0.06219 -0.11349 0.05526 176 2S -0.04202 -0.20537 -0.03585 -0.09094 0.03459 177 2PX -0.03446 -0.00225 0.04231 0.04605 -0.02270 178 2PY -0.00361 -0.02741 0.05073 -0.07974 0.03102 179 2PZ -0.03322 -0.00118 0.03427 0.01602 -0.02039 180 3S 0.27716 1.47838 -0.67570 1.52542 -0.68519 181 3PX -0.02117 -0.14841 0.04669 -0.11363 -0.04064 182 3PY 0.10418 0.36497 0.07355 0.10067 -0.06050 183 3PZ 0.01860 -0.05678 0.08288 0.00384 0.00981 184 4XX -0.00418 -0.26615 0.16931 -0.44034 0.23252 185 4YY -0.07112 -0.25328 0.41481 -0.46459 0.18869 186 4ZZ -0.03521 -0.31329 0.17576 -0.43531 0.19910 187 4XY -0.04944 -0.01880 0.14322 -0.02005 -0.03238 188 4XZ 0.06883 0.07569 0.01341 -0.13458 0.04372 189 4YZ -0.02818 0.01156 0.14878 -0.02490 -0.02478 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64965 4.87449 1 1 C 1S -0.31019 -0.01767 -0.06330 0.39729 2 2S 1.68116 0.20886 0.63543 -0.86942 3 2PX 0.01697 0.06182 0.02304 0.03927 4 2PY -0.09743 -0.04326 -0.02359 0.23823 5 2PZ 0.00165 0.06096 0.02871 -0.00258 6 3S 2.08459 0.18117 0.58299 -5.57568 7 3PX 0.10552 -0.23121 -0.07557 -0.02225 8 3PY 0.20668 0.16622 0.01745 -2.17147 9 3PZ 0.09640 -0.15242 0.18172 -0.16678 10 4XX -1.20503 -0.20745 -0.35224 1.24844 11 4YY -1.18910 -0.11228 -0.29725 1.23880 12 4ZZ -1.30357 -0.06085 -0.44323 1.26345 13 4XY 0.03524 0.04980 -0.04074 -0.05451 14 4XZ -0.10807 -0.04976 -0.03871 0.08152 15 4YZ -0.01142 0.09008 -0.02057 -0.02981 16 2 H 1S 0.05467 0.03349 0.00482 -0.08320 17 2S -0.29990 0.04597 -0.07285 -0.13426 18 3 C 1S 0.04280 0.24217 0.03737 -0.11023 19 2S -0.21215 -1.19024 -0.29999 0.33660 20 2PX 0.09757 0.08943 0.01815 -0.05852 21 2PY -0.08020 0.11208 0.02021 0.02657 22 2PZ 0.08308 0.06553 0.01300 -0.07667 23 3S -0.59544 -2.23762 -0.13878 3.99599 24 3PX -0.15488 -0.42202 0.08790 1.25043 25 3PY 0.05353 -0.47943 0.09227 0.81450 26 3PZ -0.11880 -0.33624 0.07153 1.24683 27 4XX 0.21907 0.88231 0.17575 -0.40026 28 4YY 0.18357 1.09651 0.25488 -0.47314 29 4ZZ 0.22464 0.90364 0.16786 -0.40659 30 4XY -0.10511 -0.05596 -0.05226 0.12982 31 4XZ 0.07639 0.02439 0.04122 -0.07580 32 4YZ -0.07636 -0.05263 0.00126 0.11045 33 4 H 1S 0.00537 -0.07286 -0.00564 0.04270 34 2S 0.02407 0.06615 0.11385 0.30473 35 5 C 1S 0.04280 -0.24217 -0.03737 0.11023 36 2S -0.21214 1.19025 0.29999 -0.33660 37 2PX 0.09757 -0.08943 -0.01815 0.05852 38 2PY 0.08019 0.11209 0.02021 0.02656 39 2PZ 0.08308 -0.06553 -0.01300 0.07667 40 3S -0.59543 2.23762 0.13878 -3.99599 41 3PX -0.15488 0.42202 -0.08790 -1.25042 42 3PY -0.05353 -0.47944 0.09227 0.81454 43 3PZ -0.11881 0.33622 -0.07153 -1.24680 44 4XX 0.21907 -0.88231 -0.17575 0.40026 45 4YY 0.18356 -1.09650 -0.25488 0.47314 46 4ZZ 0.22464 -0.90365 -0.16786 0.40660 47 4XY 0.10511 -0.05596 -0.05226 0.12982 48 4XZ 0.07639 -0.02440 -0.04122 0.07581 49 4YZ 0.07636 -0.05263 0.00126 0.11045 50 6 H 1S 0.00537 0.07286 0.00564 -0.04270 51 2S 0.02407 -0.06615 -0.11385 -0.30473 52 7 C 1S -0.31019 0.01767 0.06330 -0.39729 53 2S 1.68116 -0.20886 -0.63544 0.86942 54 2PX 0.01697 -0.06182 -0.02304 -0.03927 55 2PY 0.09743 -0.04326 -0.02358 0.23823 56 2PZ 0.00165 -0.06096 -0.02871 0.00259 57 3S 2.08459 -0.18118 -0.58299 5.57569 58 3PX 0.10552 0.23121 0.07557 0.02225 59 3PY -0.20669 0.16622 0.01746 -2.17148 60 3PZ 0.09639 0.15243 -0.18172 0.16670 61 4XX -1.20503 0.20745 0.35224 -1.24844 62 4YY -1.18910 0.11228 0.29725 -1.23880 63 4ZZ -1.30357 0.06086 0.44323 -1.26345 64 4XY -0.03524 0.04980 -0.04074 -0.05451 65 4XZ -0.10807 0.04977 0.03871 -0.08152 66 4YZ 0.01142 0.09008 -0.02057 -0.02981 67 8 H 1S 0.05467 -0.03349 -0.00482 0.08320 68 2S -0.29990 -0.04597 0.07285 0.13426 69 9 C 1S 0.16798 -0.21053 0.29789 -0.02103 70 2S -0.86757 1.00767 -1.24072 0.07128 71 2PX -0.01012 0.02444 0.02140 0.03682 72 2PY -0.02350 -0.03248 0.02924 0.01344 73 2PZ -0.07698 0.03356 -0.10518 -0.09486 74 3S -1.27575 1.69263 -2.92582 2.19370 75 3PX 0.00799 -0.11098 -0.25116 -0.69995 76 3PY 0.12523 0.16534 -0.45999 0.12989 77 3PZ 0.23330 -0.09183 0.38993 -0.65227 78 4XX 0.64204 -0.75621 1.00221 -0.04238 79 4YY 0.57647 -0.86670 1.18724 -0.08412 80 4ZZ 0.75187 -0.74114 1.07431 -0.10627 81 4XY 0.02899 -0.02893 0.00100 -0.03453 82 4XZ 0.05157 0.00088 0.01517 -0.05015 83 4YZ 0.09800 -0.01053 0.07549 -0.09365 84 10 H 1S -0.01389 -0.00437 -0.00313 -0.14580 85 2S 0.13793 -0.27344 0.14865 -0.16922 86 11 H 1S -0.01870 0.00393 0.06363 -0.04794 87 2S 0.21773 -0.17506 0.41160 0.18191 88 12 C 1S 0.16798 0.21053 -0.29789 0.02103 89 2S -0.86756 -1.00766 1.24072 -0.07128 90 2PX -0.01012 -0.02444 -0.02140 -0.03682 91 2PY 0.02350 -0.03248 0.02923 0.01344 92 2PZ -0.07698 -0.03357 0.10518 0.09486 93 3S -1.27575 -1.69262 2.92582 -2.19370 94 3PX 0.00799 0.11098 0.25116 0.69995 95 3PY -0.12523 0.16533 -0.45997 0.12987 96 3PZ 0.23330 0.09183 -0.38995 0.65228 97 4XX 0.64204 0.75620 -1.00221 0.04238 98 4YY 0.57647 0.86670 -1.18725 0.08413 99 4ZZ 0.75186 0.74113 -1.07431 0.10627 100 4XY -0.02899 -0.02893 0.00100 -0.03453 101 4XZ 0.05157 -0.00088 -0.01517 0.05015 102 4YZ -0.09801 -0.01052 0.07548 -0.09365 103 13 H 1S -0.01389 0.00437 0.00313 0.14580 104 2S 0.13793 0.27344 -0.14865 0.16922 105 14 H 1S -0.01870 -0.00393 -0.06363 0.04794 106 2S 0.21773 0.17506 -0.41160 -0.18191 107 15 C 1S -0.08865 0.00000 0.00000 0.00000 108 2S 0.39750 0.00000 0.00000 0.00000 109 2PX 0.04051 0.00000 0.00000 0.00000 110 2PY 0.00000 -0.01241 -0.02390 -0.07390 111 2PZ -0.00770 0.00000 0.00000 0.00000 112 3S 0.79398 0.00000 0.00000 0.00000 113 3PX -0.21555 0.00000 0.00000 0.00000 114 3PY 0.00000 -0.15140 -0.07408 -0.10265 115 3PZ 0.06602 0.00000 0.00000 0.00000 116 4XX -0.33208 0.00000 0.00000 0.00000 117 4YY -0.33348 0.00000 0.00000 0.00000 118 4ZZ -0.31768 0.00000 0.00000 0.00000 119 4XY 0.00000 0.01475 -0.01885 0.00690 120 4XZ 0.00227 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00054 -0.02228 -0.04361 122 16 C 1S 0.00633 -0.17834 -0.24161 -0.21137 123 2S 0.16523 0.98152 0.91675 0.15203 124 2PX -0.00813 -0.01938 0.00520 0.08698 125 2PY -0.00338 -0.09664 -0.10305 -0.04914 126 2PZ -0.01511 -0.02679 -0.11075 -0.04975 127 3S -0.34571 1.01617 3.28323 5.19184 128 3PX 0.09569 -0.41270 0.36043 0.33781 129 3PY 0.12757 0.07951 1.05943 1.23579 130 3PZ -0.04666 -0.34429 0.93864 1.67709 131 4XX -0.07568 -0.72296 -0.85733 -0.48358 132 4YY -0.01734 -0.85063 -0.97510 -0.67532 133 4ZZ -0.02158 -0.68691 -0.83962 -0.56738 134 4XY -0.01692 0.02066 -0.00859 -0.00884 135 4XZ 0.01704 -0.07022 0.00945 0.01514 136 4YZ 0.00893 0.04286 0.04806 0.04246 137 17 C 1S 0.00633 0.17834 0.24161 0.21137 138 2S 0.16523 -0.98152 -0.91675 -0.15203 139 2PX -0.00813 0.01938 -0.00521 -0.08698 140 2PY 0.00338 -0.09664 -0.10305 -0.04914 141 2PZ -0.01511 0.02679 0.11074 0.04974 142 3S -0.34572 -1.01617 -3.28323 -5.19185 143 3PX 0.09569 0.41270 -0.36043 -0.33781 144 3PY -0.12757 0.07950 1.05947 1.23586 145 3PZ -0.04666 0.34429 -0.93860 -1.67704 146 4XX -0.07568 0.72297 0.85733 0.48358 147 4YY -0.01734 0.85063 0.97510 0.67532 148 4ZZ -0.02158 0.68692 0.83962 0.56738 149 4XY 0.01692 0.02066 -0.00859 -0.00884 150 4XZ 0.01704 0.07022 -0.00945 -0.01514 151 4YZ -0.00893 0.04286 0.04807 0.04247 152 18 H 1S 0.02022 0.00000 0.00000 0.00000 153 2S -0.02663 0.00000 0.00000 0.00000 154 19 H 1S 0.03105 -0.03384 0.07911 -0.01537 155 2S 0.07584 -0.31712 0.14415 0.19376 156 20 H 1S 0.03105 0.03384 -0.07911 0.01537 157 2S 0.07584 0.31712 -0.14415 -0.19376 158 21 H 1S -0.02611 0.00000 0.00000 0.00000 159 2S -0.23886 0.00000 0.00000 0.00000 160 22 O 1S 0.02248 -0.02131 -0.07046 -0.15857 161 2S 0.01413 0.04384 -0.12989 -0.41042 162 2PX 0.00745 0.03175 0.02760 0.06403 163 2PY -0.01810 0.02827 0.03199 0.06994 164 2PZ 0.01785 0.00969 0.01485 0.00947 165 3S -0.30193 0.07637 1.41386 3.01478 166 3PX -0.05694 0.15156 -0.21139 -0.68382 167 3PY 0.08103 0.00406 -0.18131 -0.45748 168 3PZ -0.09217 0.14396 -0.03795 -0.20508 169 4XX 0.09222 -0.15360 -0.24682 -0.44275 170 4YY 0.09753 -0.07909 -0.24804 -0.51734 171 4ZZ 0.06837 -0.10320 -0.25742 -0.55333 172 4XY -0.02039 -0.06394 -0.02899 0.03263 173 4XZ 0.02571 -0.09105 -0.09142 0.00222 174 4YZ -0.01583 -0.05792 -0.02231 -0.00449 175 23 O 1S 0.02248 0.02131 0.07046 0.15857 176 2S 0.01413 -0.04384 0.12989 0.41042 177 2PX 0.00745 -0.03175 -0.02760 -0.06403 178 2PY 0.01810 0.02827 0.03199 0.06994 179 2PZ 0.01785 -0.00969 -0.01485 -0.00947 180 3S -0.30193 -0.07637 -1.41386 -3.01478 181 3PX -0.05695 -0.15156 0.21138 0.68382 182 3PY -0.08103 0.00407 -0.18131 -0.45749 183 3PZ -0.09217 -0.14396 0.03794 0.20506 184 4XX 0.09222 0.15360 0.24682 0.44275 185 4YY 0.09752 0.07909 0.24804 0.51734 186 4ZZ 0.06837 0.10319 0.25742 0.55333 187 4XY 0.02039 -0.06395 -0.02900 0.03263 188 4XZ 0.02571 0.09104 0.09142 -0.00221 189 4YZ 0.01583 -0.05792 -0.02231 -0.00450 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05499 2 2S -0.06133 0.32633 3 2PX 0.00315 -0.00483 0.35439 4 2PY 0.00191 0.00376 -0.02302 0.41151 5 2PZ 0.00214 0.00093 0.04001 0.00391 0.38400 6 3S -0.19781 0.29069 0.01224 -0.00350 -0.02807 7 3PX -0.00758 0.01604 0.19638 0.01982 -0.03217 8 3PY -0.00758 -0.00820 -0.00467 0.13002 -0.01758 9 3PZ 0.00297 -0.00462 -0.04853 -0.01430 0.17019 10 4XX -0.01132 -0.01296 -0.00889 0.00494 -0.00137 11 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 12 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 13 4XY 0.00161 -0.00345 0.00762 0.00005 0.00415 14 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00115 15 4YZ -0.00081 0.00153 0.00335 -0.00230 0.01081 16 2 H 1S -0.05969 0.11295 0.02941 -0.26415 -0.02265 17 2S -0.01311 0.02597 0.00927 -0.24493 -0.02199 18 3 C 1S 0.01788 -0.03384 0.05515 -0.03905 0.04364 19 2S -0.03602 0.06176 -0.11749 0.07546 -0.08981 20 2PX -0.05991 0.12166 0.00710 0.13786 -0.21175 21 2PY 0.03621 -0.07535 0.13525 -0.05073 0.08011 22 2PZ -0.04301 0.08348 -0.24259 0.06403 -0.01514 23 3S 0.01167 0.01681 -0.04581 0.10481 -0.05016 24 3PX -0.00739 0.03363 0.07528 0.06145 -0.08999 25 3PY 0.00604 -0.00949 0.09236 0.00968 0.03204 26 3PZ 0.00475 0.00613 -0.09987 0.00561 0.03877 27 4XX -0.00160 0.00278 0.00836 0.00424 -0.00521 28 4YY 0.00118 -0.00344 0.00219 -0.01331 0.00246 29 4ZZ -0.00024 0.00008 -0.00219 0.00190 0.01017 30 4XY 0.00373 -0.00671 0.00235 0.00163 0.00838 31 4XZ -0.00330 0.00637 -0.00296 0.00724 0.00074 32 4YZ 0.00332 -0.00626 0.00857 0.00162 0.00096 33 4 H 1S 0.01338 -0.02791 0.03270 -0.00421 0.03215 34 2S 0.01887 -0.03229 0.07741 0.00142 0.06794 35 5 C 1S -0.00340 0.00823 -0.00832 0.01167 -0.00446 36 2S 0.00831 -0.01879 0.02655 -0.02675 0.01369 37 2PX 0.00083 -0.00174 -0.00638 -0.00246 0.02038 38 2PY -0.01224 0.03290 -0.03169 0.03374 -0.01505 39 2PZ 0.00587 -0.01501 0.02711 -0.00710 -0.00551 40 3S -0.00303 -0.01977 -0.05035 -0.09132 -0.01050 41 3PX -0.00672 0.00622 -0.04990 -0.00084 0.00962 42 3PY -0.00510 0.01885 0.02124 0.05080 -0.00766 43 3PZ -0.00511 -0.00130 -0.00967 0.00107 -0.02947 44 4XX 0.00018 -0.00040 -0.00314 -0.00096 0.00187 45 4YY -0.00096 0.00214 -0.00147 0.00422 -0.00324 46 4ZZ -0.00025 0.00080 0.00075 0.00076 -0.00147 47 4XY 0.00180 -0.00376 -0.00179 -0.00591 0.00819 48 4XZ -0.00008 0.00016 -0.00173 -0.00001 -0.00049 49 4YZ 0.00116 -0.00224 0.01077 -0.00219 -0.00079 50 6 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 51 2S -0.01234 0.02410 -0.06563 0.03044 -0.02984 52 7 C 1S -0.00468 0.00678 0.00443 0.01024 -0.00218 53 2S 0.00678 -0.01943 -0.01494 -0.02846 0.00306 54 2PX 0.00443 -0.01494 -0.09410 -0.02688 0.03865 55 2PY -0.01024 0.02846 0.02687 0.03618 -0.01452 56 2PZ -0.00218 0.00306 0.03865 0.01453 -0.06997 57 3S 0.02825 -0.03182 0.02300 -0.03183 0.02406 58 3PX 0.00346 -0.01217 -0.08553 -0.02906 0.03407 59 3PY -0.01062 0.00751 -0.01954 -0.01164 -0.01762 60 3PZ -0.00234 0.00645 0.04464 0.01710 -0.05610 61 4XX -0.00045 -0.00045 0.00092 -0.00052 -0.00105 62 4YY -0.00084 0.00068 0.00196 0.00122 -0.00053 63 4ZZ -0.00046 0.00014 -0.00232 -0.00074 0.00066 64 4XY 0.00044 -0.00070 0.00076 -0.00097 0.00146 65 4XZ 0.00005 0.00038 0.00001 0.00024 0.00002 66 4YZ -0.00001 0.00004 0.00161 0.00042 0.00128 67 8 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 68 2S -0.00361 0.01394 0.03433 0.02541 -0.00578 69 9 C 1S 0.01252 -0.02297 -0.02143 -0.02956 -0.05185 70 2S -0.02336 0.03914 0.04299 0.05547 0.10797 71 2PX 0.01708 -0.03374 0.00050 -0.02748 -0.08301 72 2PY 0.02349 -0.04867 -0.02056 -0.03154 -0.11039 73 2PZ 0.06432 -0.13741 -0.10108 -0.12205 -0.23454 74 3S 0.00258 0.02396 0.09360 0.11180 0.08684 75 3PX 0.00271 -0.01329 -0.00003 -0.01603 -0.03736 76 3PY 0.00571 -0.01147 -0.01358 0.00262 -0.05338 77 3PZ 0.01309 -0.04403 -0.04351 -0.05773 -0.11716 78 4XX 0.00197 -0.00450 -0.00736 -0.00167 -0.00375 79 4YY 0.00081 -0.00222 -0.00072 -0.00983 -0.00225 80 4ZZ -0.00456 0.00848 0.00573 0.00739 0.00104 81 4XY -0.00115 0.00204 -0.00143 -0.00103 0.00361 82 4XZ -0.00264 0.00524 -0.00785 0.00344 0.00571 83 4YZ -0.00410 0.00767 0.00393 -0.00341 0.00869 84 10 H 1S 0.00810 -0.02346 -0.00302 -0.00514 -0.02613 85 2S 0.01254 -0.02988 0.00775 -0.01031 -0.05902 86 11 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02345 87 2S 0.01421 -0.02688 -0.08200 -0.01218 -0.02898 88 12 C 1S -0.00202 0.00420 0.00310 0.00914 0.00490 89 2S 0.00459 -0.00918 -0.00431 -0.01813 -0.01663 90 2PX -0.00180 0.00337 0.00565 0.00361 0.00160 91 2PY -0.01024 0.02611 0.00236 0.03528 0.03068 92 2PZ -0.00336 0.01374 0.00369 0.00754 0.02388 93 3S -0.00082 -0.01381 -0.04769 -0.07650 0.00218 94 3PX 0.00044 0.00408 0.00897 0.00860 -0.00185 95 3PY -0.00685 0.01928 0.00922 0.05188 0.01857 96 3PZ 0.00016 0.00716 0.01326 0.00332 0.01589 97 4XX -0.00043 0.00105 0.00160 0.00085 -0.00003 98 4YY -0.00057 0.00088 0.00257 0.00192 0.00053 99 4ZZ 0.00018 -0.00091 -0.00295 -0.00150 0.00092 100 4XY -0.00034 0.00060 -0.00054 0.00070 0.00295 101 4XZ -0.00007 0.00013 0.00227 0.00068 -0.00232 102 4YZ -0.00151 0.00341 0.00257 0.00453 0.00723 103 13 H 1S -0.00194 0.00810 -0.00892 0.00399 0.02444 104 2S -0.00257 0.00829 -0.01197 0.01246 0.03387 105 14 H 1S -0.00421 0.01109 0.01223 0.01109 0.01092 106 2S -0.00628 0.01443 0.02776 0.02015 0.01335 107 15 C 1S 0.00031 0.00016 -0.00230 -0.00028 0.00028 108 2S -0.00014 0.00012 0.00528 0.00125 -0.00036 109 2PX 0.00106 -0.00104 -0.00789 -0.00129 0.00106 110 2PY 0.00028 -0.00035 -0.00361 0.00069 -0.00187 111 2PZ -0.00089 0.00172 -0.00116 -0.00103 0.00274 112 3S -0.00167 -0.00067 0.01412 0.00313 -0.00049 113 3PX 0.00070 0.00067 -0.00054 0.00011 0.00161 114 3PY -0.00010 0.00080 0.00121 -0.00034 -0.00116 115 3PZ -0.00012 0.00145 -0.01062 -0.00170 0.00866 116 4XX 0.00047 -0.00028 -0.00260 -0.00032 0.00062 117 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 118 4ZZ -0.00034 0.00032 0.00261 0.00051 -0.00089 119 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 120 4XZ -0.00011 0.00015 0.00004 -0.00017 -0.00005 121 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 122 16 C 1S -0.00195 0.00260 -0.00843 -0.00428 0.00244 123 2S 0.00085 -0.01172 0.01025 0.00287 -0.00672 124 2PX 0.00438 -0.00253 -0.10007 -0.03473 0.05650 125 2PY -0.00057 0.00518 -0.02520 -0.01767 0.00962 126 2PZ -0.00771 0.01090 0.08812 0.02312 -0.05946 127 3S 0.01939 -0.00898 0.03369 0.03756 0.01772 128 3PX -0.00116 0.00241 -0.06898 -0.02649 0.05826 129 3PY 0.00042 0.00593 -0.01876 0.00967 0.01997 130 3PZ 0.00289 0.00279 0.07191 0.01844 -0.02544 131 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 132 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 133 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 134 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 135 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 136 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 137 17 C 1S -0.00096 0.00324 0.00345 0.00441 -0.00066 138 2S 0.00309 -0.00397 -0.00801 -0.00650 0.00422 139 2PX -0.00602 0.01970 0.00550 0.00668 -0.00167 140 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 141 2PZ 0.00542 -0.01608 -0.01141 -0.00645 0.00572 142 3S -0.00390 -0.01547 -0.01235 -0.04106 -0.01991 143 3PX -0.00525 0.01582 0.01447 0.00810 -0.01702 144 3PY 0.00344 -0.00096 0.00299 0.01500 0.01066 145 3PZ 0.00095 -0.01385 -0.02188 -0.00944 -0.00461 146 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 147 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 148 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 149 4XY -0.00037 0.00017 0.00560 0.00230 -0.00325 150 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 151 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 152 18 H 1S 0.00142 -0.00087 -0.01076 -0.00153 0.00282 153 2S 0.00191 -0.00083 -0.02156 -0.00370 0.00565 154 19 H 1S 0.00600 -0.01492 -0.02504 -0.00207 0.02148 155 2S 0.00674 -0.01323 -0.02736 -0.00707 0.02821 156 20 H 1S -0.00217 0.00570 0.01886 0.00820 -0.01269 157 2S -0.00428 0.00822 0.02244 0.01240 -0.02171 158 21 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 159 2S -0.00191 0.00050 0.01930 0.00327 -0.01360 160 22 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00038 161 2S -0.00032 0.00189 0.00260 0.00159 -0.00241 162 2PX 0.00196 -0.01053 -0.00511 -0.00636 0.00385 163 2PY 0.00012 -0.00069 -0.00505 -0.00592 0.00207 164 2PZ -0.00038 0.00618 -0.01085 -0.00505 0.00366 165 3S 0.00417 0.00260 -0.00468 0.00354 0.01629 166 3PX 0.00087 -0.00950 -0.00800 -0.00668 0.00037 167 3PY -0.00084 -0.00063 -0.00068 -0.00534 -0.00212 168 3PZ -0.00100 0.00695 -0.00652 -0.00313 0.00013 169 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 170 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 171 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 172 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 173 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 174 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 175 23 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 176 2S 0.00144 -0.00357 -0.00922 -0.00011 0.00159 177 2PX -0.00871 0.01381 0.06018 0.01144 -0.01992 178 2PY -0.00185 0.00158 0.00861 -0.00100 -0.00434 179 2PZ 0.00815 -0.00917 -0.05232 -0.01312 0.02773 180 3S -0.00560 -0.00092 -0.01760 -0.00057 -0.01792 181 3PX -0.00393 0.01001 0.05169 0.01067 -0.01445 182 3PY -0.00167 0.00082 0.00515 -0.00137 -0.00722 183 3PZ 0.00724 -0.00760 -0.04912 -0.01409 0.03125 184 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 185 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 186 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 187 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 188 4XZ 0.00009 -0.00043 -0.00078 -0.00004 0.00006 189 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 6 7 8 9 10 6 3S 0.30061 7 3PX 0.02129 0.12488 8 3PY 0.00563 0.00624 0.05321 9 3PZ -0.02581 -0.05271 -0.01514 0.09658 10 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 11 4YY 0.00386 0.00114 -0.00652 -0.00038 -0.00052 12 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 13 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 14 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 15 4YZ 0.00060 0.00006 -0.00162 0.00357 -0.00014 16 2 H 1S 0.11235 0.00498 -0.08410 -0.00406 -0.00852 17 2S 0.03320 -0.01110 -0.07232 0.00216 -0.00501 18 3 C 1S -0.00917 0.01230 -0.00984 0.00436 -0.00196 19 2S 0.03347 -0.03508 0.02573 -0.01208 0.00317 20 2PX 0.13110 0.04976 0.05357 -0.09571 -0.01090 21 2PY -0.05000 0.06232 -0.00539 0.03267 -0.00515 22 2PZ 0.09080 -0.12908 0.02377 0.02877 0.00700 23 3S -0.02631 0.00784 0.01880 -0.00661 0.00431 24 3PX 0.02878 0.06574 0.01760 -0.05088 -0.00751 25 3PY -0.00108 0.05178 0.00217 -0.00023 -0.00330 26 3PZ 0.00198 -0.06093 -0.00261 0.03336 0.00592 27 4XX 0.00396 0.00568 0.00159 -0.00484 -0.00025 28 4YY -0.00287 -0.00025 -0.00408 0.00198 -0.00020 29 4ZZ -0.00161 -0.00269 -0.00056 0.00448 0.00012 30 4XY -0.00854 -0.00001 0.00027 0.00454 0.00005 31 4XZ 0.00402 -0.00054 0.00162 0.00042 0.00004 32 4YZ -0.00762 0.00548 0.00013 -0.00162 0.00034 33 4 H 1S -0.05772 0.01770 -0.01041 0.00730 0.00307 34 2S -0.05898 0.03768 -0.01146 0.01283 0.00157 35 5 C 1S 0.00597 -0.00436 0.00283 -0.00411 0.00055 36 2S -0.02039 0.01395 -0.01068 0.00852 -0.00122 37 2PX -0.03770 -0.00491 -0.00153 0.03958 -0.00654 38 2PY 0.02416 -0.01849 -0.00564 -0.02545 0.00245 39 2PZ -0.04546 0.03621 -0.01117 -0.01414 0.00489 40 3S -0.00893 -0.03723 -0.02368 0.01302 -0.00039 41 3PX -0.00720 -0.03354 0.00135 0.03090 -0.00408 42 3PY 0.01227 0.01961 0.00591 -0.01855 0.00039 43 3PZ -0.00387 0.00655 -0.00062 -0.02248 0.00387 44 4XX 0.00001 -0.00305 0.00037 0.00163 0.00008 45 4YY 0.00135 0.00079 0.00088 -0.00087 0.00005 46 4ZZ 0.00112 0.00046 -0.00001 -0.00208 -0.00004 47 4XY -0.00563 -0.00236 -0.00276 0.00457 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 0.04153 -0.02563 0.00659 -0.01358 0.00034 51 2S 0.04888 -0.04372 0.01573 -0.01523 0.00109 52 7 C 1S 0.02825 0.00346 0.01062 -0.00234 -0.00045 53 2S -0.03182 -0.01217 -0.00751 0.00645 -0.00045 54 2PX 0.02300 -0.08553 0.01954 0.04464 0.00092 55 2PY 0.03182 0.02905 -0.01164 -0.01710 0.00052 56 2PZ 0.02406 0.03407 0.01762 -0.05610 -0.00105 57 3S -0.04410 0.00580 -0.00615 0.01062 0.00048 58 3PX 0.00580 -0.07056 0.00673 0.04023 0.00074 59 3PY 0.00615 -0.00673 -0.01300 -0.00672 0.00022 60 3PZ 0.01062 0.04023 0.00672 -0.04212 -0.00188 61 4XX 0.00048 0.00074 -0.00022 -0.00188 0.00045 62 4YY 0.00050 0.00168 -0.00039 -0.00021 -0.00016 63 4ZZ 0.00055 -0.00204 0.00018 0.00145 -0.00017 64 4XY -0.00203 0.00098 -0.00099 0.00105 -0.00001 65 4XZ -0.00018 -0.00004 -0.00026 -0.00010 -0.00019 66 4YZ -0.00050 0.00116 0.00007 0.00136 -0.00007 67 8 H 1S 0.00542 0.01174 -0.00990 -0.00326 -0.00021 68 2S 0.01443 0.02815 -0.00401 -0.00905 -0.00090 69 9 C 1S -0.00158 -0.00447 -0.00707 -0.00574 0.00165 70 2S 0.01520 0.01064 0.01663 0.02430 -0.00383 71 2PX -0.03857 0.00011 -0.00297 -0.01550 0.00730 72 2PY -0.03619 -0.00743 -0.01297 -0.05084 0.00065 73 2PZ -0.11064 -0.03885 -0.01883 -0.09077 0.00545 74 3S 0.00025 0.04852 0.02853 -0.00063 -0.00365 75 3PX -0.01153 -0.00165 0.00036 -0.00754 0.00317 76 3PY -0.00988 -0.00132 -0.00475 -0.02377 0.00081 77 3PZ -0.02320 -0.01622 -0.00275 -0.04787 0.00129 78 4XX -0.00464 -0.00411 0.00008 0.00010 0.00055 79 4YY -0.00177 -0.00125 -0.00342 -0.00014 -0.00011 80 4ZZ 0.00861 0.00456 0.00229 -0.00148 -0.00043 81 4XY 0.00249 -0.00119 -0.00060 0.00105 -0.00026 82 4XZ 0.00331 -0.00506 0.00034 0.00512 0.00024 83 4YZ 0.00612 0.00155 -0.00276 0.00415 -0.00030 84 10 H 1S -0.01620 0.00408 0.00732 -0.02954 -0.00244 85 2S -0.01438 0.01446 0.00677 -0.04306 -0.00103 86 11 H 1S -0.03206 -0.01669 0.00582 0.00221 0.00458 87 2S -0.04475 -0.04621 -0.00375 0.01693 0.00610 88 12 C 1S 0.00385 0.00368 0.00396 0.00182 0.00030 89 2S -0.00945 -0.00480 -0.00899 -0.00699 -0.00104 90 2PX 0.01292 -0.00201 0.00015 -0.00415 0.00016 91 2PY 0.02808 0.00942 0.01240 0.02231 0.00101 92 2PZ -0.00623 0.01452 -0.02514 0.02493 0.00235 93 3S -0.01020 -0.04237 -0.02365 0.01384 -0.00084 94 3PX 0.00771 0.00407 0.00201 -0.00494 0.00010 95 3PY 0.01837 0.01155 0.01565 0.00894 0.00038 96 3PZ -0.00339 0.01371 -0.01143 0.01345 0.00078 97 4XX 0.00059 0.00185 -0.00079 -0.00002 0.00012 98 4YY 0.00051 0.00138 0.00036 -0.00117 -0.00021 99 4ZZ -0.00049 -0.00227 0.00067 0.00161 0.00010 100 4XY 0.00114 -0.00075 0.00018 0.00084 -0.00020 101 4XZ -0.00027 0.00192 0.00021 -0.00237 -0.00014 102 4YZ 0.00211 0.00124 0.00038 0.00342 -0.00004 103 13 H 1S -0.00360 -0.00075 -0.00943 0.02497 0.00137 104 2S 0.00098 -0.00617 -0.00178 0.02866 0.00250 105 14 H 1S 0.01102 0.00908 -0.00455 0.00279 -0.00024 106 2S 0.01061 0.02205 -0.00342 -0.00198 -0.00114 107 15 C 1S -0.00427 -0.00077 -0.00191 0.00078 0.00004 108 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 109 2PX -0.01577 -0.00104 -0.00453 0.00864 0.00021 110 2PY -0.00789 0.00268 0.00141 0.00227 0.00035 111 2PZ 0.01037 -0.00059 0.00641 0.00421 -0.00101 112 3S 0.00771 0.00509 0.00322 -0.00671 0.00069 113 3PX -0.00049 0.00104 0.00155 0.00251 -0.00030 114 3PY 0.00407 0.00170 0.00207 -0.00056 -0.00023 115 3PZ -0.00685 -0.00525 -0.00533 0.00993 -0.00113 116 4XX -0.00398 -0.00129 -0.00246 0.00156 0.00006 117 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 118 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 119 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 120 4XZ 0.00050 -0.00014 -0.00009 -0.00040 -0.00006 121 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 122 16 C 1S 0.00479 0.00167 -0.00191 0.00396 -0.00149 123 2S 0.00188 -0.00231 0.00686 -0.00722 0.00264 124 2PX -0.00879 -0.06592 -0.01521 0.05403 -0.00496 125 2PY -0.00296 -0.01542 -0.00272 0.01962 -0.00346 126 2PZ 0.03433 0.06243 0.01959 -0.05024 0.00291 127 3S 0.00633 0.00809 0.01663 -0.00658 0.00472 128 3PX -0.01131 -0.04891 -0.01405 0.04815 -0.00307 129 3PY -0.00142 -0.01363 -0.00006 0.01788 -0.00193 130 3PZ 0.01276 0.04703 0.01041 -0.03220 0.00247 131 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 132 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 133 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 134 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 135 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 136 4YZ 0.00001 -0.00253 0.00115 -0.00021 0.00043 137 17 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 138 2S -0.00631 -0.00581 -0.00158 0.00434 0.00121 139 2PX -0.01557 0.01645 -0.02124 -0.00020 -0.00642 140 2PY 0.00887 0.01834 0.00077 -0.01980 0.00218 141 2PZ 0.00404 -0.02241 0.01483 -0.00082 0.00551 142 3S -0.00131 -0.00671 -0.00009 -0.00727 0.00314 143 3PX -0.00104 0.01959 -0.01035 -0.00997 -0.00457 144 3PY 0.00791 -0.00145 0.00611 -0.00096 0.00247 145 3PZ 0.00824 -0.02259 0.01130 -0.00260 0.00448 146 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 147 4YY 0.00091 0.00000 0.00033 -0.00013 0.00001 148 4ZZ -0.00076 0.00059 -0.00107 -0.00012 -0.00011 149 4XY 0.00075 0.00377 0.00101 -0.00331 0.00023 150 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 151 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 152 18 H 1S -0.01834 -0.00436 -0.01006 0.00827 0.00012 153 2S -0.02969 -0.00958 -0.01784 0.01473 -0.00027 154 19 H 1S -0.01940 -0.02450 -0.00643 0.01187 0.00237 155 2S -0.02510 -0.02492 -0.01126 0.01827 0.00128 156 20 H 1S 0.00326 0.01990 -0.00386 -0.01165 -0.00039 157 2S 0.00516 0.02251 -0.00369 -0.01651 -0.00119 158 21 H 1S 0.02158 0.00373 0.01273 -0.00671 -0.00017 159 2S 0.03436 0.00894 0.02261 -0.01664 0.00052 160 22 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 161 2S -0.01174 0.00062 -0.00710 -0.00261 0.00009 162 2PX 0.01339 -0.00598 0.01718 0.00465 0.00284 163 2PY 0.01504 -0.01028 0.00351 0.00627 -0.00057 164 2PZ -0.00940 -0.00676 -0.01291 0.01134 -0.00300 165 3S -0.02205 -0.00577 -0.01075 0.01418 -0.00127 166 3PX 0.00989 -0.00764 0.01268 0.00164 0.00285 167 3PY 0.01203 -0.00555 0.00296 0.00118 -0.00037 168 3PZ -0.00809 -0.00206 -0.01200 0.00637 -0.00270 169 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 170 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 171 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 172 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 173 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 174 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 175 23 O 1S -0.00072 -0.00230 -0.00275 -0.00410 0.00035 176 2S 0.00713 0.00370 0.00818 0.00912 -0.00046 177 2PX 0.06014 0.03304 0.03525 -0.03603 -0.00293 178 2PY 0.03806 -0.01207 0.00554 -0.01763 -0.00032 179 2PZ -0.09377 -0.02384 -0.05511 0.04420 0.00201 180 3S 0.00112 0.00864 0.00729 0.00832 -0.00246 181 3PX 0.04692 0.02864 0.02790 -0.02875 -0.00148 182 3PY 0.02465 -0.00708 0.00346 -0.01326 -0.00033 183 3PZ -0.06964 -0.02555 -0.04139 0.04031 0.00128 184 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 185 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 186 4ZZ 0.00015 -0.00189 0.00023 0.00145 -0.00001 187 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 188 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 189 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 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 -0.00155 -0.00194 0.00170 17 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 18 3 C 1S 0.00153 0.00017 0.00334 -0.00415 0.00299 19 2S -0.00338 -0.00118 -0.00665 0.00766 -0.00599 20 2PX -0.00154 0.00180 -0.00345 0.00321 -0.00806 21 2PY 0.01234 -0.00099 -0.00259 -0.00661 -0.00166 22 2PZ -0.00144 -0.01328 -0.00806 0.00046 -0.00180 23 3S -0.00597 0.00227 -0.00401 0.00598 -0.00437 24 3PX -0.00072 0.00471 0.00042 0.00115 -0.00323 25 3PY 0.00312 0.00133 0.00006 -0.00283 0.00034 26 3PZ -0.00082 -0.00632 -0.00233 -0.00064 0.00096 27 4XX -0.00024 0.00025 0.00028 -0.00010 0.00001 28 4YY 0.00096 -0.00037 -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 0.00350 0.00387 0.00211 34 2S -0.00515 0.00695 0.00520 0.00176 0.00393 35 5 C 1S -0.00184 0.00071 0.00099 0.00063 0.00075 36 2S 0.00439 -0.00116 -0.00185 -0.00122 -0.00145 37 2PX 0.00163 0.00388 0.00106 0.00247 -0.00232 38 2PY -0.00978 0.00242 0.00569 0.00138 0.00452 39 2PZ 0.00043 -0.00350 -0.00147 -0.00179 0.00111 40 3S 0.00672 -0.00420 -0.00341 -0.00159 -0.00237 41 3PX 0.00057 0.00209 -0.00024 0.00231 -0.00190 42 3PY -0.00498 0.00247 0.00201 0.00038 0.00139 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 0.00058 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 -0.00161 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 0.00168 -0.00204 -0.00098 -0.00004 -0.00116 59 3PY 0.00039 -0.00018 -0.00099 0.00026 0.00007 60 3PZ -0.00021 0.00145 -0.00105 -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 0.00168 -0.00512 -0.00133 -0.00200 -0.00340 70 2S -0.00346 0.00885 0.00249 0.00368 0.00664 71 2PX 0.00096 -0.00570 0.00081 0.00911 -0.00319 72 2PY 0.00950 -0.00773 0.00065 -0.00272 0.00439 73 2PZ 0.00364 0.00068 -0.00406 -0.00358 -0.00854 74 3S -0.00684 0.01172 0.00382 0.00373 0.00655 75 3PX 0.00064 -0.00266 0.00044 0.00421 -0.00139 76 3PY 0.00362 -0.00391 -0.00012 -0.00107 0.00182 77 3PZ 0.00256 -0.00033 -0.00239 -0.00117 -0.00426 78 4XX -0.00029 0.00004 -0.00017 0.00026 -0.00039 79 4YY 0.00085 -0.00055 0.00004 -0.00019 0.00020 80 4ZZ -0.00039 0.00029 -0.00001 -0.00011 -0.00009 81 4XY 0.00005 0.00009 -0.00006 -0.00038 0.00013 82 4XZ -0.00016 -0.00052 -0.00012 0.00062 0.00011 83 4YZ 0.00031 -0.00033 0.00008 0.00002 0.00031 84 10 H 1S -0.00242 0.00811 -0.00106 -0.00401 -0.00144 85 2S -0.00166 0.00534 -0.00102 -0.00503 -0.00280 86 11 H 1S -0.00287 0.00116 -0.00002 0.00707 -0.00220 87 2S -0.00199 -0.00220 -0.00147 0.00575 -0.00328 88 12 C 1S -0.00148 0.00048 -0.00034 0.00008 -0.00110 89 2S 0.00319 -0.00116 0.00074 -0.00025 0.00199 90 2PX -0.00054 0.00018 0.00001 -0.00082 -0.00032 91 2PY -0.00818 0.00392 -0.00173 0.00099 -0.00724 92 2PZ -0.00101 0.00006 -0.00056 -0.00056 -0.00107 93 3S 0.00541 -0.00338 0.00077 -0.00033 0.00250 94 3PX -0.00059 0.00022 0.00018 -0.00058 -0.00018 95 3PY -0.00566 0.00313 -0.00045 0.00110 -0.00318 96 3PZ 0.00002 -0.00023 -0.00014 -0.00060 -0.00055 97 4XX -0.00023 0.00006 -0.00006 -0.00005 -0.00021 98 4YY 0.00009 0.00022 0.00008 0.00008 0.00034 99 4ZZ -0.00009 -0.00005 -0.00001 0.00003 -0.00021 100 4XY -0.00003 0.00017 -0.00002 -0.00028 0.00007 101 4XZ -0.00003 0.00008 -0.00002 0.00001 0.00004 102 4YZ -0.00020 0.00002 0.00012 0.00009 0.00018 103 13 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 104 2S -0.00204 -0.00038 0.00006 0.00099 -0.00117 105 14 H 1S -0.00155 0.00123 -0.00019 -0.00082 -0.00098 106 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 107 15 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 108 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 109 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 110 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 111 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 112 3S -0.00020 -0.00002 0.00016 -0.00113 0.00013 113 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 114 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 115 3PZ 0.00041 0.00051 -0.00026 0.00024 0.00028 116 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 117 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 118 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 119 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 120 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 121 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 122 16 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 123 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 124 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 125 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 126 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 127 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 128 3PX 0.00184 -0.00015 -0.00135 0.00369 0.00132 129 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 130 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 131 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 132 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 133 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 134 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 135 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 136 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 137 17 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 138 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 139 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 140 2PY -0.00126 -0.00002 -0.00056 -0.00109 0.00046 141 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 142 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 143 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 144 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 145 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 146 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 147 4YY 0.00000 -0.00004 0.00001 -0.00003 -0.00001 148 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 149 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 150 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 151 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 152 18 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 153 2S 0.00042 0.00041 -0.00035 0.00087 0.00012 154 19 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 155 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 156 20 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 157 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 158 21 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 159 2S -0.00042 -0.00084 0.00028 -0.00005 -0.00029 160 22 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 161 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 162 2PX -0.00074 -0.00252 0.00087 -0.00149 -0.00036 163 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 164 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 165 3S 0.00029 0.00151 0.00019 0.00050 0.00001 166 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 167 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 168 3PZ 0.00102 0.00155 -0.00056 0.00155 0.00033 169 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 170 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 171 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 172 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 173 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 174 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 175 23 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 176 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 177 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 178 2PY 0.00000 0.00000 -0.00031 0.00046 -0.00005 179 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 180 3S 0.00010 0.00027 -0.00047 0.00070 -0.00070 181 3PX -0.00019 0.00035 0.00083 -0.00011 0.00009 182 3PY 0.00005 0.00008 -0.00030 0.00019 -0.00017 183 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 184 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 185 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 186 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 187 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 188 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 189 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 16 17 18 19 20 16 2 H 1S 0.21714 17 2S 0.17586 0.16496 18 3 C 1S 0.01211 0.01361 2.05271 19 2S -0.02454 -0.02472 -0.06213 0.32496 20 2PX -0.02455 -0.04780 0.00133 0.00226 0.36896 21 2PY 0.03575 0.07142 0.00053 0.00162 0.00011 22 2PZ -0.01201 -0.01045 -0.00083 0.00777 0.03332 23 3S -0.06200 -0.05922 -0.16067 0.24765 -0.01951 24 3PX -0.01712 -0.02896 0.00664 -0.02275 0.18141 25 3PY 0.00229 0.00593 0.00378 -0.01621 0.01322 26 3PZ -0.00667 -0.00120 0.00494 -0.01459 -0.05968 27 4XX -0.00145 -0.00308 -0.01431 -0.00947 0.00801 28 4YY 0.00806 0.00889 -0.01700 -0.00308 -0.00427 29 4ZZ -0.00273 -0.00329 -0.01612 -0.00535 -0.00689 30 4XY -0.00411 -0.00215 -0.00088 0.00123 -0.00498 31 4XZ -0.00313 -0.00474 -0.00455 0.00944 -0.00068 32 4YZ -0.00349 -0.00262 -0.00203 0.00342 -0.00949 33 4 H 1S -0.02290 -0.02758 -0.06016 0.11224 -0.13263 34 2S -0.02724 -0.03410 -0.01303 0.02496 -0.12150 35 5 C 1S -0.00849 -0.01195 0.01672 -0.03254 0.00479 36 2S 0.01865 0.02528 -0.03254 0.05577 -0.01028 37 2PX 0.00146 0.01055 0.00479 -0.01028 0.11573 38 2PY -0.03521 -0.06878 0.07797 -0.16058 0.00850 39 2PZ 0.00130 0.00305 -0.00359 0.00091 -0.08833 40 3S 0.05609 0.06422 -0.00467 0.03451 -0.00798 41 3PX 0.00088 0.00665 0.00094 0.00533 0.08530 42 3PY -0.03258 -0.04800 0.01400 -0.04348 0.01552 43 3PZ -0.00069 -0.00210 -0.00371 0.00939 -0.04784 44 4XX -0.00029 -0.00007 0.00249 -0.00552 0.00010 45 4YY -0.00127 -0.00118 -0.00695 0.01218 0.00108 46 4ZZ -0.00082 -0.00192 0.00269 -0.00612 0.00091 47 4XY 0.00167 0.00249 -0.00016 -0.00021 -0.01297 48 4XZ -0.00027 -0.00048 0.00058 -0.00150 0.00061 49 4YZ 0.00090 0.00055 -0.00018 -0.00010 -0.00005 50 6 H 1S -0.00941 -0.02008 0.01228 -0.02562 0.01875 51 2S -0.01833 -0.02682 0.01464 -0.02568 0.03388 52 7 C 1S -0.00252 -0.00361 -0.00340 0.00831 0.00083 53 2S 0.00795 0.01394 0.00823 -0.01879 -0.00174 54 2PX 0.01088 0.03433 -0.00832 0.02655 -0.00638 55 2PY -0.00924 -0.02541 -0.01167 0.02675 0.00246 56 2PZ -0.00291 -0.00578 -0.00446 0.01369 0.02038 57 3S 0.00542 0.01443 0.00597 -0.02039 -0.03770 58 3PX 0.01174 0.02815 -0.00436 0.01395 -0.00491 59 3PY 0.00990 0.00402 -0.00283 0.01068 0.00153 60 3PZ -0.00326 -0.00905 -0.00411 0.00852 0.03958 61 4XX -0.00021 -0.00090 0.00055 -0.00122 -0.00654 62 4YY 0.00086 0.00150 -0.00184 0.00439 0.00163 63 4ZZ -0.00008 -0.00030 0.00071 -0.00116 0.00388 64 4XY 0.00059 0.00078 -0.00099 0.00185 -0.00106 65 4XZ -0.00022 -0.00062 0.00063 -0.00122 0.00247 66 4YZ -0.00041 -0.00057 -0.00075 0.00145 0.00232 67 8 H 1S 0.00159 -0.00152 -0.00849 0.01865 0.00146 68 2S -0.00152 -0.00431 -0.01195 0.02528 0.01055 69 9 C 1S 0.01166 0.01409 -0.00300 0.00562 0.00514 70 2S -0.02374 -0.02635 0.00650 -0.01505 -0.01443 71 2PX 0.00669 0.01508 -0.00839 0.02187 -0.00068 72 2PY 0.03133 0.05916 -0.00131 0.00319 0.00228 73 2PZ 0.03240 0.06668 -0.01208 0.03132 0.04903 74 3S -0.06426 -0.06879 0.00759 -0.01647 0.00175 75 3PX 0.00613 0.00961 -0.00454 0.00903 -0.00129 76 3PY 0.00753 0.01769 -0.00411 0.00872 0.00734 77 3PZ 0.02545 0.03802 -0.00802 0.01864 0.04076 78 4XX -0.00156 -0.00043 -0.00114 0.00235 -0.00086 79 4YY 0.00650 0.00718 0.00068 -0.00152 -0.00310 80 4ZZ -0.00183 -0.00457 -0.00030 0.00016 0.00630 81 4XY 0.00121 0.00058 0.00024 -0.00073 -0.00134 82 4XZ -0.00093 -0.00158 -0.00130 0.00292 -0.00157 83 4YZ 0.00478 0.00206 0.00054 -0.00141 -0.00384 84 10 H 1S -0.00897 -0.00497 0.00158 -0.00347 0.02933 85 2S -0.00567 -0.00227 0.00142 -0.00405 0.02930 86 11 H 1S -0.01340 -0.00728 -0.00759 0.01927 0.00233 87 2S -0.01059 -0.00004 -0.01116 0.02904 -0.00205 88 12 C 1S -0.00717 -0.00907 -0.00267 0.00503 0.00128 89 2S 0.01458 0.01876 0.00479 -0.00883 0.00214 90 2PX -0.00151 -0.00485 -0.00207 0.00444 -0.00674 91 2PY -0.03618 -0.06045 -0.00390 0.00856 0.02849 92 2PZ -0.00435 -0.01994 -0.00787 0.01255 -0.01133 93 3S 0.04598 0.05206 0.01324 -0.02297 -0.02357 94 3PX -0.00396 -0.00610 -0.00106 0.00172 -0.00051 95 3PY -0.03698 -0.04915 -0.00348 0.00737 0.02761 96 3PZ -0.00019 -0.00658 -0.00485 0.00736 -0.00615 97 4XX -0.00081 -0.00228 -0.00029 0.00034 -0.00037 98 4YY -0.00011 0.00023 -0.00010 0.00024 0.00060 99 4ZZ -0.00001 0.00044 0.00024 -0.00041 0.00010 100 4XY -0.00029 -0.00036 0.00007 -0.00035 -0.00023 101 4XZ -0.00020 -0.00043 0.00019 -0.00044 0.00102 102 4YZ -0.00198 -0.00306 0.00020 -0.00082 -0.00128 103 13 H 1S -0.00529 -0.01306 -0.00137 0.00184 -0.00285 104 2S -0.01224 -0.01808 -0.00228 0.00336 -0.01502 105 14 H 1S -0.00724 -0.01829 -0.00059 0.00017 0.00193 106 2S -0.01154 -0.02512 -0.00092 -0.00024 0.00534 107 15 C 1S 0.00003 0.00032 -0.00034 0.00050 0.00186 108 2S -0.00057 -0.00251 0.00067 -0.00179 -0.00524 109 2PX -0.00048 0.00236 -0.00090 0.00227 0.00497 110 2PY -0.00079 0.00311 -0.00109 0.00156 0.00104 111 2PZ 0.00234 0.00527 0.00032 0.00003 0.00697 112 3S -0.00148 -0.00319 0.00165 -0.00332 -0.01102 113 3PX -0.00031 0.00077 0.00030 -0.00055 0.00236 114 3PY 0.00086 0.00099 -0.00028 0.00057 0.00142 115 3PZ 0.00146 0.00219 -0.00027 0.00123 0.01152 116 4XX -0.00016 -0.00032 -0.00023 0.00067 0.00161 117 4YY 0.00008 0.00021 0.00009 -0.00031 -0.00023 118 4ZZ 0.00006 0.00022 0.00007 -0.00029 -0.00126 119 4XY -0.00003 0.00011 -0.00002 0.00031 -0.00120 120 4XZ 0.00021 0.00000 -0.00003 0.00015 0.00061 121 4YZ 0.00029 -0.00036 0.00011 -0.00011 0.00132 122 16 C 1S 0.00408 0.00292 -0.00178 0.00269 0.00919 123 2S -0.00633 -0.00297 0.00265 -0.00452 -0.02100 124 2PX 0.01726 0.02258 -0.00503 0.01912 0.03137 125 2PY 0.01446 0.01732 -0.00170 0.00504 0.01828 126 2PZ -0.00486 -0.01181 0.00224 -0.00609 -0.00582 127 3S -0.02949 -0.02846 0.00362 -0.01131 -0.05396 128 3PX 0.01402 0.01788 -0.00660 0.01009 0.00585 129 3PY -0.00485 -0.00477 -0.00256 0.00680 0.01974 130 3PZ -0.00815 -0.01338 0.00154 -0.01149 -0.02472 131 4XX 0.00033 -0.00067 -0.00079 0.00083 0.00598 132 4YY 0.00113 0.00161 -0.00013 -0.00023 -0.00212 133 4ZZ -0.00055 -0.00050 -0.00029 0.00012 -0.00135 134 4XY 0.00137 0.00017 0.00016 -0.00026 0.00434 135 4XZ -0.00012 0.00045 -0.00048 0.00093 -0.00196 136 4YZ -0.00127 -0.00062 0.00029 -0.00044 -0.00517 137 17 C 1S -0.00154 -0.00261 -0.00069 0.00137 0.01089 138 2S 0.00206 0.00376 0.00058 -0.00173 -0.02273 139 2PX 0.00479 -0.00464 -0.00297 0.00820 0.07781 140 2PY -0.00970 -0.01643 -0.00009 -0.00136 -0.01163 141 2PZ -0.00401 0.00638 0.00128 -0.00391 -0.05907 142 3S 0.02037 0.02622 0.00390 -0.00677 -0.05255 143 3PX 0.00386 -0.00368 -0.00129 0.00638 0.05986 144 3PY -0.01136 -0.01246 -0.00151 0.00182 -0.02887 145 3PZ -0.00076 0.00671 0.00188 -0.00093 -0.04678 146 4XX -0.00022 0.00028 -0.00022 0.00029 0.00077 147 4YY 0.00017 0.00015 -0.00006 0.00020 -0.00040 148 4ZZ -0.00023 -0.00083 -0.00029 0.00039 0.00168 149 4XY -0.00116 -0.00147 0.00007 -0.00073 -0.00112 150 4XZ -0.00024 -0.00089 -0.00015 0.00017 0.00113 151 4YZ 0.00057 0.00104 -0.00021 0.00063 0.00166 152 18 H 1S -0.00050 -0.00051 -0.00094 0.00273 0.00763 153 2S 0.00055 0.00036 -0.00200 0.00547 0.01682 154 19 H 1S -0.00805 -0.00416 0.00083 -0.00296 -0.02683 155 2S -0.00435 -0.00116 0.00005 -0.00132 -0.01968 156 20 H 1S -0.00202 -0.00894 0.00040 -0.00107 0.00591 157 2S -0.00284 -0.01062 0.00059 -0.00059 0.02536 158 21 H 1S 0.00045 0.00163 0.00063 -0.00138 -0.00488 159 2S 0.00001 0.00218 0.00066 -0.00226 -0.01326 160 22 O 1S 0.00027 0.00064 0.00003 0.00038 -0.00238 161 2S -0.00065 -0.00182 0.00010 -0.00105 0.00425 162 2PX -0.00043 0.00851 0.00146 -0.00392 -0.04303 163 2PY 0.00414 0.00308 0.00082 0.00067 0.00103 164 2PZ 0.00615 0.00135 -0.00083 0.00297 0.03259 165 3S -0.00284 -0.00272 -0.00062 -0.00216 0.01710 166 3PX 0.00000 0.00714 0.00134 -0.00261 -0.03879 167 3PY 0.00403 0.00308 0.00076 0.00013 0.00031 168 3PZ 0.00529 0.00040 -0.00103 0.00346 0.03012 169 4XX -0.00014 0.00008 0.00009 -0.00010 -0.00275 170 4YY 0.00004 -0.00003 0.00004 0.00005 -0.00045 171 4ZZ 0.00006 -0.00024 0.00015 -0.00011 0.00128 172 4XY 0.00017 -0.00002 -0.00003 0.00009 0.00141 173 4XZ 0.00000 -0.00006 0.00002 -0.00004 0.00042 174 4YZ 0.00008 0.00028 -0.00002 0.00009 -0.00003 175 23 O 1S 0.00030 -0.00252 0.00025 -0.00140 -0.00322 176 2S -0.00116 0.00539 -0.00129 0.00318 0.00264 177 2PX 0.00314 -0.00053 0.00317 -0.01246 -0.00852 178 2PY 0.00246 -0.00903 0.00082 0.00223 0.00006 179 2PZ -0.00083 -0.00038 -0.00062 0.00105 0.00173 180 3S 0.00162 0.01044 0.00114 0.00790 0.03874 181 3PX 0.00071 -0.00212 0.00189 -0.01050 -0.01370 182 3PY 0.00217 -0.00531 0.00093 0.00179 0.00431 183 3PZ 0.00107 0.00268 -0.00173 0.00209 -0.00205 184 4XX -0.00078 -0.00088 -0.00008 -0.00055 -0.00230 185 4YY 0.00045 -0.00030 -0.00033 -0.00005 -0.00142 186 4ZZ -0.00011 0.00018 -0.00035 0.00000 -0.00131 187 4XY 0.00008 -0.00009 0.00003 -0.00064 -0.00059 188 4XZ -0.00013 0.00014 0.00017 0.00006 0.00018 189 4YZ -0.00054 -0.00048 -0.00007 -0.00021 -0.00132 21 22 23 24 25 21 2PY 0.41335 22 2PZ -0.00266 0.39023 23 3S 0.01122 -0.02947 0.25009 24 3PX 0.01273 -0.07523 -0.00529 0.12000 25 3PY 0.13842 -0.02579 0.00772 0.02131 0.06237 26 3PZ -0.00573 0.16792 -0.01273 -0.06577 -0.01396 27 4XX -0.00593 -0.00344 -0.00562 0.00526 0.00007 28 4YY 0.01307 -0.00040 -0.00311 -0.00157 0.00297 29 4ZZ -0.01026 -0.00257 -0.00246 -0.00264 -0.00301 30 4XY 0.00024 -0.01075 0.00261 0.00016 -0.00037 31 4XZ -0.00920 -0.00219 0.00814 -0.00040 -0.00261 32 4YZ -0.00196 -0.01031 0.00706 -0.00159 0.00072 33 4 H 1S -0.13076 -0.18749 0.11509 -0.03241 -0.03911 34 2S -0.11785 -0.18087 0.05423 -0.01788 -0.02558 35 5 C 1S -0.07797 -0.00359 -0.00467 0.00094 -0.01400 36 2S 0.16058 0.00092 0.03451 0.00533 0.04348 37 2PX -0.00850 -0.08833 -0.00798 0.08530 -0.01552 38 2PY -0.31237 -0.00041 -0.12660 0.01487 -0.09114 39 2PZ 0.00039 0.08701 0.05754 -0.03723 0.01191 40 3S 0.12660 0.05754 -0.01750 -0.01591 0.01403 41 3PX -0.01487 -0.03723 -0.01591 0.04727 -0.01987 42 3PY -0.09114 -0.01192 -0.01404 0.01987 -0.01363 43 3PZ -0.01855 0.07390 0.02529 -0.03342 -0.00058 44 4XX -0.00873 -0.00017 -0.00630 -0.00086 -0.00383 45 4YY 0.00580 0.00050 0.01205 -0.00009 0.00269 46 4ZZ -0.00925 -0.00155 -0.00574 0.00114 -0.00259 47 4XY -0.00146 0.00018 0.00225 -0.00623 -0.00083 48 4XZ -0.00312 0.00043 -0.00359 0.00029 -0.00186 49 4YZ 0.00022 -0.01358 0.00428 0.00435 0.00192 50 6 H 1S -0.04294 0.01319 -0.06039 -0.00249 -0.01989 51 2S -0.08633 0.03937 -0.06761 -0.00572 -0.03824 52 7 C 1S 0.01224 0.00587 -0.00303 -0.00672 0.00510 53 2S -0.03290 -0.01501 -0.01977 0.00622 -0.01885 54 2PX 0.03169 0.02711 -0.05035 -0.04990 -0.02124 55 2PY 0.03374 0.00710 0.09132 0.00084 0.05080 56 2PZ 0.01505 -0.00551 -0.01050 0.00962 0.00766 57 3S -0.02416 -0.04546 -0.00893 -0.00720 -0.01227 58 3PX 0.01849 0.03621 -0.03723 -0.03354 -0.01961 59 3PY -0.00564 0.01117 0.02368 -0.00135 0.00591 60 3PZ 0.02545 -0.01414 0.01302 0.03090 0.01856 61 4XX -0.00245 0.00489 -0.00039 -0.00408 -0.00039 62 4YY 0.00978 0.00043 0.00672 0.00057 0.00498 63 4ZZ -0.00241 -0.00350 -0.00419 0.00209 -0.00247 64 4XY 0.00569 0.00147 0.00341 0.00024 0.00201 65 4XZ -0.00138 -0.00179 -0.00159 0.00231 -0.00038 66 4YZ 0.00452 -0.00111 0.00237 0.00190 0.00139 67 8 H 1S 0.03521 0.00130 0.05609 0.00088 0.03258 68 2S 0.06878 0.00305 0.06422 0.00665 0.04801 69 9 C 1S -0.00155 0.01145 0.00523 0.00086 -0.00403 70 2S 0.00592 -0.02805 -0.00898 0.00033 0.00849 71 2PX -0.01087 0.03290 0.02770 -0.00835 -0.02936 72 2PY 0.00421 0.00689 -0.00917 -0.00778 0.00647 73 2PZ -0.00703 0.02307 0.00219 0.01027 -0.03196 74 3S -0.01090 -0.07811 0.01674 0.02532 0.02144 75 3PX -0.00744 0.01497 0.00631 -0.00640 -0.01540 76 3PY 0.00450 0.02096 0.01091 -0.00283 0.00708 77 3PZ 0.00837 0.02261 -0.00610 0.00785 -0.01122 78 4XX -0.00219 0.00526 0.00156 -0.00186 -0.00296 79 4YY 0.00171 -0.00200 -0.00276 -0.00146 -0.00003 80 4ZZ -0.00095 -0.00133 0.00089 0.00367 0.00189 81 4XY -0.00013 0.00012 -0.00124 -0.00085 0.00104 82 4XZ -0.00304 0.00928 0.00203 -0.00284 -0.00235 83 4YZ 0.00173 -0.00056 0.00073 -0.00128 0.00183 84 10 H 1S 0.00309 -0.02865 -0.01230 0.01935 0.00436 85 2S -0.00013 -0.02535 -0.01121 0.01789 0.00456 86 11 H 1S -0.01533 0.03244 0.01770 -0.00668 -0.02873 87 2S -0.02105 0.07096 0.02303 -0.01668 -0.03781 88 12 C 1S 0.00375 0.00577 0.01091 0.00010 0.00349 89 2S -0.00681 -0.01508 -0.02105 0.00217 -0.00597 90 2PX 0.00763 0.00880 0.01312 -0.00580 0.01726 91 2PY -0.01161 0.00380 0.01906 0.01994 -0.00708 92 2PZ 0.02367 0.02037 0.07872 0.00221 0.02449 93 3S -0.03018 -0.00944 -0.06109 -0.01894 -0.02946 94 3PX 0.00183 0.00166 0.00820 -0.00075 0.00912 95 3PY -0.00891 -0.00192 0.01690 0.01748 -0.00055 96 3PZ 0.02432 0.00453 0.04098 0.00211 0.01699 97 4XX -0.00022 0.00077 0.00343 0.00067 0.00109 98 4YY 0.00192 -0.00177 0.00111 0.00062 0.00183 99 4ZZ -0.00197 0.00059 -0.00283 -0.00075 -0.00254 100 4XY 0.00100 -0.00059 -0.00078 -0.00013 0.00123 101 4XZ -0.00088 -0.00064 -0.00001 0.00164 0.00060 102 4YZ 0.00015 -0.00008 0.00127 0.00001 0.00086 103 13 H 1S -0.00018 0.00657 0.02056 0.00050 -0.00488 104 2S -0.00379 0.01956 0.01847 -0.01192 -0.00768 105 14 H 1S 0.00229 -0.00061 0.01949 0.00705 0.01408 106 2S 0.00699 -0.00762 0.02803 0.01617 0.02155 107 15 C 1S -0.00057 -0.00048 0.00279 0.00243 -0.00033 108 2S 0.00022 0.00168 -0.00557 -0.00495 0.00172 109 2PX -0.00063 -0.00143 0.01185 0.00676 -0.00378 110 2PY -0.00156 0.00200 0.00972 0.00404 -0.00215 111 2PZ 0.00135 -0.00801 -0.00517 0.00460 0.00088 112 3S 0.00436 0.00234 -0.00761 -0.00954 0.00351 113 3PX -0.00139 -0.00356 0.00088 0.00233 -0.00134 114 3PY -0.00024 -0.00168 -0.00171 0.00068 -0.00042 115 3PZ 0.00191 -0.00961 0.00308 0.01175 0.00035 116 4XX -0.00012 -0.00048 0.00205 0.00194 -0.00033 117 4YY 0.00001 0.00004 0.00078 0.00019 -0.00022 118 4ZZ -0.00012 0.00031 -0.00281 -0.00202 0.00042 119 4XY -0.00028 0.00135 -0.00118 -0.00160 -0.00109 120 4XZ 0.00025 -0.00047 -0.00047 0.00030 0.00028 121 4YZ 0.00029 -0.00148 -0.00189 0.00040 0.00074 122 16 C 1S 0.00007 -0.00379 0.00660 0.00950 -0.00149 123 2S 0.00007 0.01060 -0.01526 -0.02241 0.00030 124 2PX 0.00231 -0.00562 -0.01133 0.02166 -0.01371 125 2PY 0.00155 -0.01159 0.00914 0.01859 -0.00229 126 2PZ -0.00214 -0.00874 -0.00463 -0.01003 0.00721 127 3S 0.00009 0.02764 -0.00267 -0.04285 0.01053 128 3PX 0.00333 0.00106 -0.00189 0.00789 -0.00921 129 3PY -0.00114 -0.01112 0.00725 0.01495 -0.00064 130 3PZ -0.00222 -0.00967 0.00411 -0.01273 0.00996 131 4XX 0.00039 -0.00412 -0.00147 0.00315 0.00123 132 4YY 0.00021 0.00109 0.00113 -0.00074 -0.00027 133 4ZZ 0.00021 0.00082 0.00123 -0.00017 -0.00052 134 4XY 0.00101 -0.00386 0.00143 0.00423 0.00158 135 4XZ -0.00047 0.00187 -0.00108 -0.00206 -0.00124 136 4YZ -0.00091 0.00430 -0.00187 -0.00491 -0.00049 137 17 C 1S 0.00262 -0.00738 0.00207 0.00807 0.00240 138 2S -0.00401 0.01701 0.00404 -0.01433 -0.00315 139 2PX 0.01577 -0.05629 0.03491 0.07599 0.02114 140 2PY -0.00430 0.01176 -0.00095 -0.01105 0.00159 141 2PZ -0.01022 0.04328 -0.02183 -0.05769 -0.01045 142 3S -0.01290 0.03693 -0.01672 -0.04058 -0.01633 143 3PX 0.01205 -0.04004 0.01873 0.05288 0.01493 144 3PY -0.00198 0.02420 0.00030 -0.02555 0.00055 145 3PZ -0.01428 0.04463 -0.02370 -0.04985 -0.01447 146 4XX 0.00019 0.00000 -0.00099 -0.00035 -0.00038 147 4YY 0.00036 0.00041 -0.00034 -0.00066 0.00015 148 4ZZ 0.00028 -0.00081 0.00145 0.00194 0.00056 149 4XY -0.00003 -0.00003 0.00062 -0.00072 0.00100 150 4XZ 0.00034 -0.00070 0.00230 0.00173 0.00120 151 4YZ 0.00047 -0.00061 0.00015 0.00124 -0.00023 152 18 H 1S 0.00022 -0.00253 0.01089 0.00930 -0.00200 153 2S 0.00112 -0.00554 0.01796 0.01861 -0.00258 154 19 H 1S -0.00212 0.02058 -0.00649 -0.02164 -0.00339 155 2S -0.00411 0.00494 -0.00200 -0.01156 -0.00512 156 20 H 1S -0.00079 -0.00432 0.00813 0.00940 0.00345 157 2S -0.00061 -0.01693 0.00617 0.02183 0.00528 158 21 H 1S -0.00007 0.00086 -0.01206 -0.00794 0.00186 159 2S -0.00431 0.00874 -0.01737 -0.01862 0.00056 160 22 O 1S -0.00041 0.00198 -0.00543 -0.00314 -0.00232 161 2S 0.00032 -0.00298 0.01365 0.00674 0.00621 162 2PX -0.00710 0.03014 -0.02271 -0.04386 -0.01548 163 2PY -0.00082 -0.00200 -0.01673 -0.00766 -0.00397 164 2PZ 0.00412 -0.02205 0.01045 0.03158 0.00332 165 3S 0.00387 -0.01805 0.01897 0.01954 0.00641 166 3PX -0.00824 0.03032 -0.01853 -0.03921 -0.01308 167 3PY -0.00031 -0.00157 -0.01304 -0.00583 -0.00226 168 3PZ 0.00421 -0.01983 0.01212 0.02958 0.00470 169 4XX -0.00069 0.00236 -0.00048 -0.00241 -0.00063 170 4YY -0.00012 0.00073 0.00033 -0.00017 0.00018 171 4ZZ -0.00009 -0.00096 -0.00012 0.00105 0.00029 172 4XY 0.00026 -0.00123 0.00098 0.00170 0.00061 173 4XZ 0.00002 -0.00035 0.00059 0.00058 0.00016 174 4YZ 0.00013 0.00002 0.00005 -0.00005 -0.00005 175 23 O 1S 0.00047 0.00087 0.00079 -0.00142 0.00426 176 2S -0.00153 0.00027 -0.00745 -0.00210 -0.00988 177 2PX 0.00184 -0.00689 -0.01266 -0.00817 0.01627 178 2PY 0.00070 -0.00067 -0.03844 -0.01577 0.00470 179 2PZ 0.00194 0.00447 0.04572 0.02054 -0.00925 180 3S -0.00181 -0.01430 0.00169 0.02453 -0.01277 181 3PX 0.00021 -0.00372 -0.01067 -0.01123 0.01247 182 3PY 0.00012 -0.00182 -0.02536 -0.00766 0.00282 183 3PZ 0.00177 0.00526 0.03138 0.01284 -0.00864 184 4XX -0.00019 0.00099 0.00069 -0.00147 0.00013 185 4YY -0.00003 0.00070 -0.00216 -0.00173 0.00044 186 4ZZ -0.00040 0.00115 -0.00044 -0.00103 -0.00032 187 4XY 0.00017 -0.00032 0.00004 -0.00020 0.00066 188 4XZ -0.00001 0.00009 -0.00101 -0.00032 -0.00012 189 4YZ -0.00016 0.00089 0.00163 -0.00030 -0.00037 26 27 28 29 30 26 3PZ 0.09328 27 4XX -0.00248 0.00092 28 4YY 0.00079 -0.00023 0.00114 29 4ZZ 0.00047 0.00022 -0.00019 0.00089 30 4XY -0.00330 -0.00019 0.00000 0.00032 0.00095 31 4XZ -0.00111 -0.00007 -0.00048 0.00026 0.00017 32 4YZ -0.00212 0.00003 -0.00014 0.00011 0.00042 33 4 H 1S -0.05972 -0.00192 -0.00407 0.00551 0.00785 34 2S -0.05144 0.00069 -0.00362 0.00647 0.00774 35 5 C 1S -0.00371 0.00249 -0.00695 0.00269 0.00016 36 2S 0.00940 -0.00552 0.01218 -0.00612 0.00021 37 2PX -0.04784 0.00010 0.00108 0.00091 0.01297 38 2PY 0.01855 0.00873 -0.00580 0.00925 -0.00146 39 2PZ 0.07391 -0.00017 0.00050 -0.00155 -0.00018 40 3S 0.02529 -0.00630 0.01205 -0.00574 -0.00225 41 3PX -0.03342 -0.00086 -0.00009 0.00114 0.00623 42 3PY 0.00058 0.00383 -0.00269 0.00259 -0.00083 43 3PZ 0.04480 0.00015 -0.00090 -0.00105 -0.00341 44 4XX 0.00015 0.00022 -0.00029 0.00036 0.00031 45 4YY -0.00090 -0.00029 -0.00016 -0.00028 -0.00013 46 4ZZ -0.00105 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 -0.00279 0.00081 0.00186 0.00080 -0.00512 51 2S 0.00226 0.00160 -0.00151 0.00192 -0.00529 52 7 C 1S -0.00511 0.00018 -0.00096 -0.00025 -0.00180 53 2S -0.00130 -0.00040 0.00214 0.00080 0.00376 54 2PX -0.00967 -0.00314 -0.00147 0.00075 0.00179 55 2PY -0.00107 0.00096 -0.00421 -0.00076 -0.00591 56 2PZ -0.02947 0.00187 -0.00324 -0.00147 -0.00819 57 3S -0.00387 0.00001 0.00135 0.00112 0.00563 58 3PX 0.00655 -0.00305 0.00079 0.00046 0.00236 59 3PY 0.00062 -0.00037 -0.00088 0.00001 -0.00276 60 3PZ -0.02248 0.00163 -0.00087 -0.00208 -0.00457 61 4XX 0.00387 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 -0.00069 -0.00029 -0.00127 -0.00082 -0.00167 68 2S -0.00210 -0.00007 -0.00118 -0.00192 -0.00249 69 9 C 1S 0.00805 -0.00046 0.00081 -0.00156 -0.00079 70 2S -0.01522 0.00036 -0.00158 0.00302 0.00173 71 2PX 0.02849 -0.00027 0.00138 -0.00377 -0.00102 72 2PY 0.00236 -0.00009 0.00124 -0.00210 -0.00250 73 2PZ -0.00730 -0.00133 0.00397 -0.00733 -0.00401 74 3S -0.03850 0.00276 -0.00435 0.00350 0.00172 75 3PX 0.01190 -0.00006 0.00070 -0.00170 -0.00039 76 3PY 0.00932 0.00007 -0.00008 -0.00119 -0.00209 77 3PZ -0.00484 -0.00042 0.00203 -0.00434 -0.00270 78 4XX 0.00260 -0.00019 0.00007 -0.00013 -0.00006 79 4YY -0.00033 -0.00015 0.00035 -0.00005 0.00000 80 4ZZ -0.00192 0.00036 -0.00033 0.00002 -0.00010 81 4XY -0.00037 -0.00004 0.00002 0.00015 0.00001 82 4XZ 0.00493 -0.00027 -0.00010 0.00019 0.00001 83 4YZ 0.00127 -0.00005 0.00011 0.00019 0.00008 84 10 H 1S -0.03018 0.00081 -0.00014 -0.00072 -0.00062 85 2S -0.02564 0.00164 -0.00013 -0.00169 -0.00141 86 11 H 1S 0.01867 -0.00089 0.00033 -0.00156 -0.00015 87 2S 0.03879 -0.00252 0.00077 -0.00124 -0.00046 88 12 C 1S 0.00343 0.00000 -0.00020 -0.00037 0.00004 89 2S -0.00989 0.00002 0.00036 0.00057 -0.00040 90 2PX 0.00098 0.00032 0.00065 -0.00085 -0.00037 91 2PY -0.00331 0.00082 -0.00190 0.00047 0.00034 92 2PZ 0.03397 -0.00066 0.00059 -0.00074 0.00159 93 3S -0.00435 -0.00151 0.00205 0.00193 0.00050 94 3PX -0.00002 0.00052 -0.00004 -0.00043 -0.00021 95 3PY -0.00540 0.00108 -0.00223 0.00055 0.00015 96 3PZ 0.01557 -0.00033 0.00057 -0.00069 0.00145 97 4XX 0.00115 0.00006 0.00000 -0.00005 -0.00006 98 4YY -0.00139 0.00004 -0.00008 0.00000 -0.00012 99 4ZZ 0.00033 -0.00006 0.00004 0.00005 0.00026 100 4XY -0.00081 -0.00002 0.00002 0.00008 0.00008 101 4XZ -0.00082 0.00009 0.00005 -0.00005 -0.00014 102 4YZ 0.00131 0.00003 -0.00008 0.00019 0.00027 103 13 H 1S 0.01533 -0.00054 -0.00031 0.00069 0.00159 104 2S 0.02316 -0.00055 -0.00064 0.00071 0.00181 105 14 H 1S 0.00038 0.00055 0.00013 -0.00008 0.00000 106 2S -0.00397 0.00080 0.00006 -0.00013 -0.00028 107 15 C 1S -0.00011 -0.00014 -0.00001 -0.00005 0.00008 108 2S 0.00178 0.00027 -0.00017 0.00000 -0.00016 109 2PX -0.00028 -0.00038 0.00030 0.00020 0.00013 110 2PY 0.00346 -0.00024 -0.00004 -0.00020 -0.00006 111 2PZ -0.00843 -0.00017 0.00010 0.00011 0.00029 112 3S 0.00352 0.00052 -0.00031 -0.00026 -0.00027 113 3PX -0.00239 0.00000 -0.00001 0.00012 0.00013 114 3PY -0.00243 0.00004 0.00003 -0.00003 -0.00009 115 3PZ -0.00791 -0.00057 0.00029 0.00067 0.00046 116 4XX -0.00015 -0.00011 0.00009 0.00013 0.00005 117 4YY 0.00015 0.00000 -0.00002 0.00000 -0.00001 118 4ZZ -0.00013 0.00010 -0.00006 -0.00011 -0.00004 119 4XY 0.00084 -0.00006 0.00004 0.00008 0.00006 120 4XZ -0.00039 -0.00001 0.00002 0.00001 0.00002 121 4YZ -0.00206 0.00009 -0.00003 -0.00004 -0.00007 122 16 C 1S -0.00354 -0.00071 0.00004 -0.00029 0.00017 123 2S 0.00661 0.00088 -0.00016 0.00024 -0.00053 124 2PX -0.02091 -0.00527 0.00263 0.00290 0.00297 125 2PY -0.01558 -0.00107 0.00085 0.00015 0.00044 126 2PZ 0.00057 0.00439 -0.00130 -0.00243 -0.00268 127 3S 0.02490 0.00169 -0.00170 0.00040 -0.00083 128 3PX -0.00564 -0.00394 0.00184 0.00224 0.00266 129 3PY -0.01187 -0.00084 -0.00011 0.00090 0.00134 130 3PZ 0.00643 0.00308 -0.00116 -0.00129 -0.00150 131 4XX -0.00385 0.00026 -0.00010 -0.00022 -0.00008 132 4YY 0.00119 -0.00010 0.00008 0.00001 0.00001 133 4ZZ 0.00131 -0.00016 0.00007 0.00017 0.00011 134 4XY -0.00242 0.00005 0.00004 -0.00002 -0.00003 135 4XZ 0.00098 -0.00017 0.00010 0.00012 0.00007 136 4YZ 0.00297 -0.00001 -0.00007 0.00000 0.00001 137 17 C 1S -0.00513 -0.00017 -0.00007 -0.00009 0.00015 138 2S 0.01321 0.00011 0.00011 0.00012 -0.00040 139 2PX -0.03844 -0.00104 0.00086 0.00078 0.00032 140 2PY 0.01328 0.00105 -0.00089 -0.00044 -0.00083 141 2PZ 0.03310 0.00011 -0.00024 -0.00055 0.00062 142 3S 0.02603 0.00024 0.00068 -0.00088 -0.00199 143 3PX -0.03146 0.00003 0.00029 0.00002 -0.00069 144 3PY 0.01794 0.00019 -0.00078 0.00009 -0.00034 145 3PZ 0.02776 -0.00002 -0.00031 -0.00039 -0.00057 146 4XX 0.00045 -0.00005 0.00003 -0.00002 0.00023 147 4YY -0.00027 0.00002 0.00000 -0.00001 -0.00009 148 4ZZ -0.00077 -0.00002 -0.00001 0.00004 -0.00008 149 4XY 0.00074 0.00027 -0.00012 -0.00015 -0.00017 150 4XZ 0.00001 0.00005 -0.00001 -0.00003 -0.00010 151 4YZ -0.00098 -0.00026 0.00010 0.00014 0.00022 152 18 H 1S -0.00085 -0.00050 0.00037 0.00047 0.00021 153 2S -0.00354 -0.00101 0.00070 0.00082 0.00047 154 19 H 1S 0.01689 -0.00102 0.00002 0.00110 0.00076 155 2S 0.00920 -0.00139 0.00026 0.00140 0.00166 156 20 H 1S -0.00179 0.00094 -0.00043 -0.00017 -0.00129 157 2S -0.01227 0.00117 -0.00052 -0.00024 -0.00125 158 21 H 1S -0.00143 0.00039 -0.00023 -0.00041 -0.00014 159 2S 0.00370 0.00096 -0.00051 -0.00114 -0.00053 160 22 O 1S 0.00043 0.00000 -0.00004 0.00000 -0.00015 161 2S 0.00084 0.00009 0.00004 -0.00011 0.00016 162 2PX 0.02318 0.00031 -0.00041 -0.00058 0.00003 163 2PY -0.01235 0.00001 0.00024 0.00028 0.00001 164 2PZ -0.02613 -0.00068 0.00034 0.00066 -0.00025 165 3S -0.00831 -0.00044 0.00028 0.00054 0.00178 166 3PX 0.02231 0.00021 -0.00031 -0.00046 -0.00025 167 3PY -0.00876 0.00012 0.00018 0.00004 -0.00020 168 3PZ -0.02175 -0.00053 0.00030 0.00051 -0.00043 169 4XX 0.00160 0.00002 -0.00002 -0.00001 -0.00007 170 4YY 0.00089 0.00002 -0.00002 -0.00004 -0.00007 171 4ZZ -0.00081 0.00007 -0.00002 -0.00003 -0.00009 172 4XY -0.00083 -0.00003 0.00003 0.00003 0.00002 173 4XZ -0.00001 0.00001 0.00000 0.00000 0.00001 174 4YZ 0.00032 -0.00003 0.00002 0.00000 0.00006 175 23 O 1S 0.00192 0.00007 -0.00006 -0.00013 0.00001 176 2S -0.00330 -0.00017 0.00022 0.00056 0.00003 177 2PX -0.00864 0.00236 -0.00167 -0.00253 -0.00170 178 2PY -0.01122 0.00047 0.00014 0.00020 -0.00006 179 2PZ 0.01854 -0.00184 0.00100 0.00209 0.00139 180 3S -0.01834 -0.00011 0.00019 0.00009 -0.00011 181 3PX -0.00387 0.00200 -0.00128 -0.00180 -0.00141 182 3PY -0.00921 0.00036 0.00012 0.00005 -0.00014 183 3PZ 0.01389 -0.00202 0.00108 0.00199 0.00138 184 4XX 0.00156 0.00013 -0.00005 -0.00002 -0.00009 185 4YY 0.00007 0.00000 0.00002 0.00003 0.00000 186 4ZZ 0.00067 -0.00012 0.00001 0.00007 0.00009 187 4XY -0.00002 0.00009 -0.00007 -0.00009 -0.00006 188 4XZ -0.00034 -0.00002 0.00001 0.00003 0.00001 189 4YZ 0.00151 -0.00002 0.00000 0.00006 0.00002 31 32 33 34 35 31 4XZ 0.00067 32 4YZ 0.00028 0.00117 33 4 H 1S 0.00827 0.01087 0.21693 34 2S 0.00608 0.01062 0.17899 0.17164 35 5 C 1S 0.00058 0.00018 0.01228 0.01464 2.05271 36 2S -0.00150 0.00010 -0.02562 -0.02568 -0.06213 37 2PX 0.00061 0.00005 0.01875 0.03388 0.00133 38 2PY 0.00312 0.00022 0.04294 0.08633 -0.00053 39 2PZ 0.00043 0.01358 0.01319 0.03937 -0.00083 40 3S -0.00359 -0.00428 -0.06039 -0.06761 -0.16067 41 3PX 0.00029 -0.00435 -0.00249 -0.00572 0.00664 42 3PY 0.00186 0.00192 0.01989 0.03824 -0.00378 43 3PZ 0.00022 0.00545 -0.00279 0.00226 0.00494 44 4XX 0.00000 -0.00020 0.00081 0.00160 -0.01431 45 4YY 0.00023 0.00009 0.00186 -0.00151 -0.01700 46 4ZZ 0.00005 -0.00003 0.00080 0.00192 -0.01612 47 4XY 0.00005 0.00050 0.00512 0.00529 0.00088 48 4XZ 0.00004 -0.00011 -0.00002 0.00049 -0.00455 49 4YZ 0.00011 0.00081 0.00716 0.00783 0.00203 50 6 H 1S -0.00002 -0.00716 -0.02222 -0.02568 -0.06016 51 2S 0.00049 -0.00783 -0.02568 -0.03291 -0.01303 52 7 C 1S -0.00008 -0.00116 -0.00753 -0.01234 0.01788 53 2S 0.00016 0.00224 0.01707 0.02410 -0.03384 54 2PX -0.00173 -0.01077 -0.03031 -0.06563 0.05515 55 2PY 0.00001 -0.00219 -0.01511 -0.03044 0.03905 56 2PZ -0.00049 0.00079 -0.01497 -0.02984 0.04364 57 3S 0.00036 0.00433 0.04153 0.04888 -0.00917 58 3PX -0.00133 -0.00703 -0.02563 -0.04372 0.01230 59 3PY -0.00020 -0.00146 -0.00659 -0.01573 0.00984 60 3PZ -0.00042 0.00175 -0.01358 -0.01523 0.00436 61 4XX -0.00001 0.00032 0.00034 0.00109 -0.00196 62 4YY -0.00009 -0.00012 -0.00257 -0.00387 0.00153 63 4ZZ -0.00001 -0.00047 0.00002 -0.00050 0.00017 64 4XY -0.00005 0.00023 -0.00085 -0.00037 -0.00334 65 4XZ 0.00004 0.00001 0.00030 0.00117 -0.00415 66 4YZ -0.00004 0.00003 -0.00058 -0.00017 -0.00299 67 8 H 1S -0.00027 -0.00090 -0.00941 -0.01833 0.01211 68 2S -0.00048 -0.00055 -0.02008 -0.02682 0.01361 69 9 C 1S -0.00073 -0.00027 -0.00710 -0.00909 -0.00267 70 2S 0.00157 0.00069 0.01561 0.02150 0.00479 71 2PX -0.00129 -0.00015 -0.01137 -0.02682 -0.00207 72 2PY -0.00116 0.00024 -0.01106 -0.01592 0.00390 73 2PZ -0.00607 -0.00074 -0.03375 -0.06650 -0.00787 74 3S 0.00278 0.00357 0.04177 0.05147 0.01324 75 3PX -0.00059 -0.00017 -0.00462 -0.01221 -0.00106 76 3PY -0.00026 -0.00024 -0.01304 -0.01570 0.00348 77 3PZ -0.00305 -0.00127 -0.02991 -0.04622 -0.00485 78 4XX -0.00013 -0.00012 -0.00119 -0.00276 -0.00029 79 4YY -0.00017 -0.00008 0.00007 -0.00017 -0.00010 80 4ZZ 0.00024 0.00004 -0.00017 0.00099 0.00024 81 4XY 0.00004 -0.00002 0.00039 0.00092 -0.00007 82 4XZ 0.00024 -0.00032 -0.00149 -0.00196 0.00019 83 4YZ 0.00012 -0.00005 0.00084 0.00199 -0.00020 84 10 H 1S -0.00133 0.00077 -0.00035 -0.00360 -0.00137 85 2S -0.00151 0.00146 -0.00121 -0.00328 -0.00228 86 11 H 1S -0.00073 -0.00083 -0.00882 -0.02287 -0.00059 87 2S -0.00081 -0.00265 -0.02135 -0.03822 -0.00092 88 12 C 1S 0.00009 0.00021 -0.00090 -0.00047 -0.00300 89 2S -0.00017 -0.00066 0.00147 -0.00004 0.00650 90 2PX -0.00006 0.00122 0.00009 0.00382 -0.00839 91 2PY 0.00073 -0.00083 -0.00103 -0.00097 0.00131 92 2PZ 0.00000 0.00019 -0.00298 0.00410 -0.01208 93 3S -0.00079 -0.00335 0.00354 -0.00168 0.00759 94 3PX 0.00014 0.00073 0.00130 0.00383 -0.00454 95 3PY 0.00102 -0.00066 0.00023 0.00067 0.00411 96 3PZ -0.00003 0.00060 -0.00070 0.00421 -0.00802 97 4XX 0.00003 0.00020 0.00044 0.00114 -0.00114 98 4YY 0.00001 0.00000 -0.00008 -0.00033 0.00068 99 4ZZ -0.00002 -0.00013 0.00018 -0.00007 -0.00030 100 4XY 0.00002 0.00000 0.00020 0.00069 -0.00024 101 4XZ 0.00004 0.00038 0.00062 0.00148 -0.00130 102 4YZ 0.00018 0.00006 0.00110 0.00253 -0.00054 103 13 H 1S 0.00023 -0.00150 -0.00063 -0.00022 0.00158 104 2S 0.00036 -0.00143 -0.00021 -0.00044 0.00142 105 14 H 1S 0.00035 0.00131 0.00342 0.01033 -0.00759 106 2S 0.00060 0.00304 0.00712 0.01814 -0.01116 107 15 C 1S 0.00009 -0.00010 0.00003 -0.00020 -0.00034 108 2S -0.00011 0.00026 0.00031 0.00145 0.00067 109 2PX 0.00023 -0.00037 -0.00016 -0.00178 -0.00090 110 2PY 0.00024 -0.00018 -0.00010 -0.00108 0.00109 111 2PZ 0.00014 -0.00024 0.00118 0.00027 0.00032 112 3S -0.00021 0.00048 0.00015 0.00175 0.00165 113 3PX 0.00011 -0.00014 0.00114 0.00061 0.00030 114 3PY 0.00008 0.00011 0.00068 0.00008 0.00028 115 3PZ 0.00021 -0.00057 0.00049 0.00033 -0.00027 116 4XX 0.00004 -0.00009 -0.00009 -0.00015 -0.00023 117 4YY -0.00002 -0.00002 -0.00008 -0.00005 0.00009 118 4ZZ -0.00001 0.00009 0.00028 0.00025 0.00007 119 4XY -0.00002 -0.00010 -0.00019 -0.00050 0.00002 120 4XZ 0.00000 -0.00001 -0.00003 -0.00001 -0.00003 121 4YZ -0.00001 0.00012 0.00017 0.00019 -0.00011 122 16 C 1S 0.00039 -0.00066 -0.00015 -0.00151 -0.00069 123 2S -0.00088 0.00094 -0.00040 0.00010 0.00058 124 2PX 0.00048 -0.00435 -0.00505 -0.01516 -0.00297 125 2PY 0.00018 -0.00114 -0.00069 -0.00607 0.00009 126 2PZ 0.00039 0.00363 0.00682 0.00957 0.00128 127 3S -0.00036 0.00243 0.00376 0.00975 0.00390 128 3PX 0.00043 -0.00313 -0.00141 -0.00671 -0.00129 129 3PY 0.00057 -0.00123 0.00192 -0.00049 0.00151 130 3PZ 0.00028 0.00358 0.01246 0.01872 0.00188 131 4XX 0.00007 0.00014 0.00035 0.00029 -0.00022 132 4YY -0.00004 -0.00004 -0.00008 -0.00018 -0.00006 133 4ZZ 0.00001 -0.00009 0.00003 0.00021 -0.00029 134 4XY 0.00000 0.00001 -0.00004 0.00046 -0.00007 135 4XZ -0.00003 -0.00009 0.00002 -0.00056 -0.00015 136 4YZ -0.00008 0.00002 -0.00023 -0.00024 0.00021 137 17 C 1S 0.00014 -0.00012 -0.00005 0.00058 -0.00178 138 2S -0.00022 0.00031 -0.00019 -0.00103 0.00265 139 2PX 0.00094 -0.00042 0.00044 0.00607 -0.00503 140 2PY 0.00027 0.00109 0.00075 0.00444 0.00170 141 2PZ -0.00048 -0.00030 -0.00028 -0.00384 0.00224 142 3S -0.00100 0.00083 -0.00200 -0.00662 0.00362 143 3PX 0.00051 0.00006 -0.00181 0.00104 -0.00660 144 3PY 0.00015 0.00064 0.00061 0.00090 0.00256 145 3PZ -0.00056 -0.00063 -0.00424 -0.00986 0.00154 146 4XX 0.00002 -0.00018 -0.00016 -0.00018 -0.00079 147 4YY -0.00003 0.00004 -0.00019 -0.00042 -0.00013 148 4ZZ 0.00004 0.00003 -0.00006 0.00012 -0.00029 149 4XY 0.00000 0.00028 0.00041 0.00102 -0.00016 150 4XZ 0.00003 0.00011 0.00004 0.00048 -0.00048 151 4YZ -0.00001 -0.00028 -0.00040 -0.00077 -0.00029 152 18 H 1S 0.00017 -0.00044 -0.00069 -0.00122 -0.00094 153 2S 0.00027 -0.00086 -0.00180 -0.00266 -0.00200 154 19 H 1S -0.00068 -0.00057 -0.00193 -0.00036 0.00040 155 2S -0.00025 -0.00089 0.00431 0.00495 0.00059 156 20 H 1S 0.00016 0.00121 0.00095 0.00361 0.00083 157 2S 0.00024 0.00070 -0.00010 0.00234 0.00005 158 21 H 1S -0.00006 0.00038 0.00108 0.00093 0.00063 159 2S -0.00017 0.00089 0.00129 0.00051 0.00066 160 22 O 1S -0.00004 0.00002 -0.00010 -0.00077 0.00025 161 2S 0.00009 0.00007 0.00005 0.00190 -0.00129 162 2PX -0.00051 -0.00033 -0.00034 -0.00462 0.00317 163 2PY -0.00026 -0.00006 -0.00008 -0.00423 -0.00082 164 2PZ 0.00007 -0.00020 -0.00141 -0.00298 -0.00062 165 3S 0.00022 -0.00067 0.00234 0.00493 0.00114 166 3PX -0.00043 -0.00026 -0.00114 -0.00489 0.00189 167 3PY -0.00024 0.00007 -0.00026 -0.00317 -0.00093 168 3PZ 0.00015 -0.00008 -0.00126 -0.00198 -0.00173 169 4XX -0.00002 0.00004 -0.00010 -0.00028 -0.00008 170 4YY 0.00000 0.00003 -0.00015 0.00000 -0.00033 171 4ZZ 0.00001 0.00008 0.00007 0.00022 -0.00035 172 4XY 0.00002 0.00001 0.00012 0.00030 -0.00003 173 4XZ 0.00001 0.00001 0.00005 0.00015 0.00017 174 4YZ 0.00000 -0.00005 -0.00001 -0.00001 0.00007 175 23 O 1S -0.00007 0.00018 0.00019 0.00148 0.00003 176 2S 0.00008 -0.00030 0.00028 -0.00269 0.00010 177 2PX -0.00035 0.00253 0.00315 0.00741 0.00146 178 2PY -0.00047 0.00051 -0.00017 -0.00120 -0.00082 179 2PZ 0.00009 -0.00235 -0.00405 -0.00151 -0.00083 180 3S 0.00016 -0.00123 -0.00398 -0.00954 -0.00062 181 3PX -0.00017 0.00239 0.00455 0.00835 0.00134 182 3PY -0.00034 0.00031 -0.00079 -0.00169 -0.00076 183 3PZ 0.00012 -0.00209 -0.00269 -0.00184 -0.00103 184 4XX 0.00000 0.00014 0.00028 0.00063 0.00009 185 4YY -0.00002 0.00005 0.00012 0.00018 0.00004 186 4ZZ 0.00001 -0.00008 0.00003 -0.00002 0.00015 187 4XY 0.00000 0.00010 0.00020 0.00051 0.00003 188 4XZ -0.00002 -0.00002 -0.00012 -0.00021 0.00002 189 4YZ 0.00001 -0.00002 0.00002 0.00026 0.00002 36 37 38 39 40 36 2S 0.32496 37 2PX 0.00226 0.36896 38 2PY -0.00162 -0.00011 0.41335 39 2PZ 0.00777 0.03332 0.00266 0.39023 40 3S 0.24765 -0.01951 -0.01122 -0.02947 0.25009 41 3PX -0.02275 0.18141 -0.01273 -0.07523 -0.00529 42 3PY 0.01621 -0.01321 0.13842 0.02578 -0.00772 43 3PZ -0.01459 -0.05969 0.00573 0.16792 -0.01273 44 4XX -0.00947 0.00801 0.00593 -0.00344 -0.00562 45 4YY -0.00308 -0.00428 -0.01307 -0.00040 -0.00311 46 4ZZ -0.00535 -0.00689 0.01026 -0.00257 -0.00246 47 4XY -0.00123 0.00498 0.00024 0.01075 -0.00261 48 4XZ 0.00944 -0.00068 0.00920 -0.00219 0.00814 49 4YZ -0.00342 0.00949 -0.00196 0.01031 -0.00706 50 6 H 1S 0.11224 -0.13263 0.13077 -0.18749 0.11509 51 2S 0.02496 -0.12150 0.11785 -0.18087 0.05423 52 7 C 1S -0.03602 -0.05991 -0.03620 -0.04301 0.01167 53 2S 0.06176 0.12166 0.07534 0.08349 0.01681 54 2PX -0.11749 0.00710 -0.13524 -0.24259 -0.04581 55 2PY -0.07545 -0.13785 -0.05072 -0.06403 -0.10481 56 2PZ -0.08981 -0.21175 -0.08011 -0.01515 -0.05016 57 3S 0.03347 0.13110 0.05000 0.09081 -0.02631 58 3PX -0.03508 0.04976 -0.06231 -0.12908 0.00784 59 3PY -0.02573 -0.05357 -0.00539 -0.02377 -0.01880 60 3PZ -0.01208 -0.09572 -0.03267 0.02876 -0.00661 61 4XX 0.00317 -0.01090 0.00515 0.00700 0.00431 62 4YY -0.00338 -0.00154 -0.01234 -0.00144 -0.00597 63 4ZZ -0.00118 0.00180 0.00099 -0.01328 0.00227 64 4XY 0.00665 0.00345 -0.00259 0.00806 0.00401 65 4XZ 0.00766 0.00321 0.00661 0.00046 0.00598 66 4YZ 0.00599 0.00806 -0.00166 0.00180 0.00437 67 8 H 1S -0.02454 -0.02455 -0.03575 -0.01201 -0.06200 68 2S -0.02472 -0.04780 -0.07142 -0.01046 -0.05922 69 9 C 1S 0.00503 0.00128 -0.00375 0.00577 0.01091 70 2S -0.00883 0.00214 0.00681 -0.01508 -0.02105 71 2PX 0.00444 -0.00674 -0.00763 0.00880 0.01312 72 2PY -0.00856 -0.02849 -0.01160 -0.00381 -0.01906 73 2PZ 0.01255 -0.01133 -0.02367 0.02037 0.07872 74 3S -0.02297 -0.02357 0.03018 -0.00944 -0.06109 75 3PX 0.00172 -0.00051 -0.00183 0.00166 0.00820 76 3PY -0.00737 -0.02761 -0.00891 0.00192 -0.01690 77 3PZ 0.00736 -0.00615 -0.02432 0.00453 0.04098 78 4XX 0.00034 -0.00037 0.00022 0.00077 0.00343 79 4YY 0.00024 0.00060 -0.00192 -0.00177 0.00111 80 4ZZ -0.00041 0.00010 0.00197 0.00059 -0.00283 81 4XY 0.00035 0.00023 0.00100 0.00059 0.00078 82 4XZ -0.00044 0.00102 0.00088 -0.00064 -0.00001 83 4YZ 0.00082 0.00128 0.00015 0.00008 -0.00127 84 10 H 1S 0.00184 -0.00285 0.00018 0.00657 0.02056 85 2S 0.00336 -0.01502 0.00379 0.01956 0.01847 86 11 H 1S 0.00017 0.00193 -0.00229 -0.00061 0.01949 87 2S -0.00024 0.00534 -0.00699 -0.00762 0.02803 88 12 C 1S 0.00562 0.00514 0.00155 0.01145 0.00523 89 2S -0.01505 -0.01443 -0.00592 -0.02805 -0.00898 90 2PX 0.02187 -0.00068 0.01087 0.03290 0.02770 91 2PY -0.00319 -0.00229 0.00421 -0.00689 0.00917 92 2PZ 0.03132 0.04903 0.00703 0.02307 0.00219 93 3S -0.01647 0.00175 0.01091 -0.07811 0.01674 94 3PX 0.00903 -0.00129 0.00744 0.01497 0.00631 95 3PY -0.00872 -0.00734 0.00451 -0.02096 -0.01091 96 3PZ 0.01863 0.04076 -0.00838 0.02261 -0.00610 97 4XX 0.00235 -0.00086 0.00219 0.00526 0.00156 98 4YY -0.00152 -0.00310 -0.00171 -0.00200 -0.00276 99 4ZZ 0.00016 0.00630 0.00095 -0.00133 0.00089 100 4XY 0.00073 0.00134 -0.00013 -0.00012 0.00124 101 4XZ 0.00292 -0.00157 0.00304 0.00928 0.00203 102 4YZ 0.00141 0.00384 0.00173 0.00056 -0.00073 103 13 H 1S -0.00347 0.02933 -0.00309 -0.02865 -0.01230 104 2S -0.00405 0.02930 0.00014 -0.02535 -0.01121 105 14 H 1S 0.01927 0.00233 0.01532 0.03244 0.01770 106 2S 0.02904 -0.00205 0.02105 0.07096 0.02303 107 15 C 1S 0.00050 0.00186 0.00057 -0.00048 0.00279 108 2S -0.00179 -0.00524 -0.00022 0.00168 -0.00557 109 2PX 0.00227 0.00497 0.00063 -0.00143 0.01185 110 2PY -0.00156 -0.00104 -0.00156 -0.00200 -0.00972 111 2PZ 0.00003 0.00697 -0.00135 -0.00801 -0.00517 112 3S -0.00332 -0.01102 -0.00436 0.00234 -0.00761 113 3PX -0.00055 0.00236 0.00139 -0.00356 0.00088 114 3PY -0.00057 -0.00142 -0.00024 0.00168 0.00171 115 3PZ 0.00123 0.01152 -0.00191 -0.00961 0.00308 116 4XX 0.00067 0.00161 0.00012 -0.00048 0.00205 117 4YY -0.00031 -0.00023 -0.00001 0.00004 0.00078 118 4ZZ -0.00029 -0.00126 0.00012 0.00031 -0.00281 119 4XY -0.00031 0.00120 -0.00028 -0.00135 0.00118 120 4XZ 0.00015 0.00061 -0.00025 -0.00047 -0.00047 121 4YZ 0.00011 -0.00132 0.00029 0.00148 0.00189 122 16 C 1S 0.00137 0.01089 -0.00262 -0.00738 0.00207 123 2S -0.00173 -0.02273 0.00401 0.01701 0.00404 124 2PX 0.00820 0.07781 -0.01577 -0.05629 0.03491 125 2PY 0.00136 0.01163 -0.00430 -0.01176 0.00095 126 2PZ -0.00391 -0.05907 0.01022 0.04328 -0.02183 127 3S -0.00677 -0.05255 0.01290 0.03693 -0.01672 128 3PX 0.00638 0.05986 -0.01205 -0.04004 0.01873 129 3PY -0.00182 0.02887 -0.00198 -0.02420 -0.00030 130 3PZ -0.00093 -0.04678 0.01428 0.04463 -0.02370 131 4XX 0.00029 0.00077 -0.00019 0.00000 -0.00099 132 4YY 0.00020 -0.00040 -0.00036 0.00041 -0.00034 133 4ZZ 0.00039 0.00168 -0.00028 -0.00081 0.00145 134 4XY 0.00073 0.00112 -0.00003 0.00003 -0.00062 135 4XZ 0.00017 0.00113 -0.00034 -0.00070 0.00230 136 4YZ -0.00063 -0.00166 0.00047 0.00061 -0.00015 137 17 C 1S 0.00269 0.00919 -0.00007 -0.00379 0.00660 138 2S -0.00452 -0.02100 -0.00007 0.01060 -0.01526 139 2PX 0.01912 0.03137 -0.00231 -0.00562 -0.01133 140 2PY -0.00504 -0.01828 0.00155 0.01159 -0.00914 141 2PZ -0.00609 -0.00582 0.00214 -0.00874 -0.00463 142 3S -0.01131 -0.05396 -0.00009 0.02764 -0.00267 143 3PX 0.01009 0.00585 -0.00333 0.00106 -0.00189 144 3PY -0.00680 -0.01974 -0.00114 0.01112 -0.00725 145 3PZ -0.01149 -0.02472 0.00222 -0.00967 0.00411 146 4XX 0.00083 0.00598 -0.00039 -0.00412 -0.00147 147 4YY -0.00023 -0.00212 -0.00021 0.00109 0.00113 148 4ZZ 0.00012 -0.00135 -0.00021 0.00082 0.00123 149 4XY 0.00026 -0.00434 0.00101 0.00386 -0.00143 150 4XZ 0.00093 -0.00196 0.00047 0.00187 -0.00108 151 4YZ 0.00044 0.00517 -0.00091 -0.00430 0.00187 152 18 H 1S 0.00273 0.00763 -0.00022 -0.00253 0.01089 153 2S 0.00547 0.01682 -0.00112 -0.00554 0.01796 154 19 H 1S -0.00107 0.00591 0.00079 -0.00432 0.00813 155 2S -0.00059 0.02536 0.00062 -0.01693 0.00617 156 20 H 1S -0.00296 -0.02683 0.00212 0.02058 -0.00649 157 2S -0.00132 -0.01968 0.00411 0.00494 -0.00200 158 21 H 1S -0.00138 -0.00488 0.00007 0.00086 -0.01206 159 2S -0.00226 -0.01326 0.00431 0.00874 -0.01737 160 22 O 1S -0.00140 -0.00322 -0.00047 0.00087 0.00079 161 2S 0.00318 0.00264 0.00153 0.00027 -0.00745 162 2PX -0.01246 -0.00852 -0.00184 -0.00689 -0.01266 163 2PY -0.00223 -0.00006 0.00070 0.00067 0.03844 164 2PZ 0.00105 0.00173 -0.00194 0.00447 0.04572 165 3S 0.00790 0.03874 0.00181 -0.01430 0.00169 166 3PX -0.01050 -0.01370 -0.00021 -0.00372 -0.01067 167 3PY -0.00179 -0.00431 0.00012 0.00182 0.02535 168 3PZ 0.00208 -0.00205 -0.00177 0.00526 0.03138 169 4XX -0.00055 -0.00230 0.00019 0.00099 0.00069 170 4YY -0.00005 -0.00142 0.00003 0.00070 -0.00216 171 4ZZ 0.00000 -0.00131 0.00040 0.00115 -0.00044 172 4XY 0.00064 0.00059 0.00017 0.00032 -0.00004 173 4XZ 0.00006 0.00018 0.00001 0.00009 -0.00101 174 4YZ 0.00021 0.00132 -0.00016 -0.00089 -0.00163 175 23 O 1S 0.00038 -0.00238 0.00041 0.00198 -0.00543 176 2S -0.00105 0.00425 -0.00032 -0.00298 0.01365 177 2PX -0.00392 -0.04303 0.00710 0.03015 -0.02271 178 2PY -0.00067 -0.00103 -0.00082 0.00201 0.01673 179 2PZ 0.00297 0.03259 -0.00411 -0.02205 0.01045 180 3S -0.00216 0.01710 -0.00387 -0.01805 0.01897 181 3PX -0.00261 -0.03879 0.00824 0.03032 -0.01853 182 3PY -0.00013 -0.00032 -0.00031 0.00157 0.01304 183 3PZ 0.00346 0.03012 -0.00421 -0.01983 0.01212 184 4XX -0.00010 -0.00275 0.00069 0.00236 -0.00048 185 4YY 0.00005 -0.00045 0.00012 0.00073 0.00033 186 4ZZ -0.00011 0.00128 0.00009 -0.00096 -0.00012 187 4XY -0.00009 -0.00141 0.00026 0.00123 -0.00098 188 4XZ -0.00004 0.00042 -0.00002 -0.00035 0.00059 189 4YZ -0.00009 0.00003 0.00013 -0.00002 -0.00005 41 42 43 44 45 41 3PX 0.12000 42 3PY -0.02131 0.06237 43 3PZ -0.06577 0.01395 0.09329 44 4XX 0.00526 -0.00006 -0.00248 0.00092 45 4YY -0.00157 -0.00297 0.00079 -0.00023 0.00114 46 4ZZ -0.00264 0.00301 0.00047 0.00022 -0.00019 47 4XY -0.00016 -0.00037 0.00330 0.00019 0.00000 48 4XZ -0.00040 0.00261 -0.00111 -0.00007 -0.00048 49 4YZ 0.00159 0.00072 0.00212 -0.00003 0.00014 50 6 H 1S -0.03241 0.03912 -0.05972 -0.00192 -0.00407 51 2S -0.01788 0.02558 -0.05144 0.00069 -0.00362 52 7 C 1S -0.00739 -0.00605 0.00475 -0.00160 0.00118 53 2S 0.03363 0.00949 0.00613 0.00278 -0.00344 54 2PX 0.07528 -0.09236 -0.09988 0.00836 0.00220 55 2PY -0.06145 0.00968 -0.00562 -0.00424 0.01331 56 2PZ -0.09000 -0.03205 0.03877 -0.00521 0.00246 57 3S 0.02878 0.00108 0.00198 0.00396 -0.00287 58 3PX 0.06574 -0.05178 -0.06093 0.00568 -0.00025 59 3PY -0.01760 0.00217 0.00261 -0.00159 0.00408 60 3PZ -0.05088 0.00023 0.03336 -0.00484 0.00198 61 4XX -0.00751 0.00330 0.00592 -0.00025 -0.00020 62 4YY -0.00072 -0.00312 -0.00082 -0.00024 0.00096 63 4ZZ 0.00471 -0.00133 -0.00632 0.00025 -0.00037 64 4XY -0.00042 0.00006 0.00233 -0.00028 0.00009 65 4XZ 0.00115 0.00283 -0.00064 -0.00010 -0.00031 66 4YZ 0.00323 0.00034 -0.00096 -0.00001 -0.00002 67 8 H 1S -0.01712 -0.00229 -0.00667 -0.00145 0.00806 68 2S -0.02896 -0.00593 -0.00120 -0.00308 0.00889 69 9 C 1S 0.00010 -0.00349 0.00343 0.00000 -0.00020 70 2S 0.00217 0.00597 -0.00989 0.00002 0.00036 71 2PX -0.00580 -0.01726 0.00098 0.00032 0.00065 72 2PY -0.01994 -0.00708 0.00331 -0.00082 0.00190 73 2PZ 0.00221 -0.02449 0.03397 -0.00066 0.00059 74 3S -0.01894 0.02946 -0.00435 -0.00151 0.00205 75 3PX -0.00075 -0.00912 -0.00002 0.00052 -0.00004 76 3PY -0.01748 -0.00055 0.00540 -0.00108 0.00223 77 3PZ 0.00211 -0.01699 0.01557 -0.00033 0.00057 78 4XX 0.00067 -0.00109 0.00115 0.00006 0.00000 79 4YY 0.00062 -0.00183 -0.00139 0.00004 -0.00008 80 4ZZ -0.00075 0.00254 0.00033 -0.00006 0.00004 81 4XY 0.00013 0.00123 0.00081 0.00002 -0.00002 82 4XZ 0.00164 -0.00060 -0.00082 0.00009 0.00005 83 4YZ -0.00001 0.00086 -0.00131 -0.00003 0.00008 84 10 H 1S 0.00050 0.00488 0.01533 -0.00054 -0.00031 85 2S -0.01192 0.00768 0.02316 -0.00055 -0.00064 86 11 H 1S 0.00705 -0.01408 0.00038 0.00055 0.00013 87 2S 0.01617 -0.02155 -0.00397 0.00080 0.00006 88 12 C 1S 0.00086 0.00403 0.00805 -0.00046 0.00081 89 2S 0.00033 -0.00849 -0.01522 0.00036 -0.00158 90 2PX -0.00835 0.02936 0.02849 -0.00027 0.00138 91 2PY 0.00778 0.00647 -0.00236 0.00009 -0.00124 92 2PZ 0.01027 0.03196 -0.00730 -0.00133 0.00397 93 3S 0.02532 -0.02143 -0.03850 0.00276 -0.00435 94 3PX -0.00640 0.01540 0.01190 -0.00006 0.00070 95 3PY 0.00283 0.00708 -0.00932 -0.00007 0.00008 96 3PZ 0.00785 0.01123 -0.00484 -0.00042 0.00203 97 4XX -0.00186 0.00296 0.00260 -0.00019 0.00007 98 4YY -0.00146 0.00003 -0.00033 -0.00015 0.00035 99 4ZZ 0.00367 -0.00189 -0.00192 0.00036 -0.00033 100 4XY 0.00085 0.00104 0.00037 0.00004 -0.00002 101 4XZ -0.00284 0.00235 0.00493 -0.00027 -0.00010 102 4YZ 0.00128 0.00183 -0.00127 0.00005 -0.00011 103 13 H 1S 0.01935 -0.00436 -0.03018 0.00081 -0.00014 104 2S 0.01789 -0.00456 -0.02564 0.00164 -0.00013 105 14 H 1S -0.00668 0.02873 0.01867 -0.00089 0.00033 106 2S -0.01668 0.03781 0.03879 -0.00252 0.00077 107 15 C 1S 0.00243 0.00033 -0.00011 -0.00014 -0.00001 108 2S -0.00495 -0.00172 0.00178 0.00027 -0.00017 109 2PX 0.00676 0.00378 -0.00028 -0.00038 0.00030 110 2PY -0.00404 -0.00215 -0.00346 0.00024 0.00004 111 2PZ 0.00460 -0.00088 -0.00843 -0.00017 0.00010 112 3S -0.00954 -0.00351 0.00352 0.00052 -0.00031 113 3PX 0.00233 0.00134 -0.00239 0.00000 -0.00001 114 3PY -0.00068 -0.00042 0.00243 -0.00004 -0.00003 115 3PZ 0.01175 -0.00035 -0.00791 -0.00057 0.00029 116 4XX 0.00194 0.00033 -0.00015 -0.00011 0.00009 117 4YY 0.00019 0.00022 0.00015 0.00000 -0.00002 118 4ZZ -0.00202 -0.00042 -0.00013 0.00010 -0.00006 119 4XY 0.00160 -0.00109 -0.00084 0.00006 -0.00004 120 4XZ 0.00030 -0.00028 -0.00039 -0.00001 0.00002 121 4YZ -0.00040 0.00074 0.00206 -0.00009 0.00003 122 16 C 1S 0.00807 -0.00240 -0.00513 -0.00017 -0.00007 123 2S -0.01433 0.00315 0.01321 0.00011 0.00011 124 2PX 0.07599 -0.02114 -0.03844 -0.00104 0.00086 125 2PY 0.01105 0.00159 -0.01328 -0.00105 0.00089 126 2PZ -0.05769 0.01045 0.03310 0.00011 -0.00024 127 3S -0.04058 0.01633 0.02603 0.00024 0.00068 128 3PX 0.05288 -0.01493 -0.03146 0.00003 0.00029 129 3PY 0.02555 0.00055 -0.01794 -0.00019 0.00078 130 3PZ -0.04985 0.01446 0.02776 -0.00002 -0.00031 131 4XX -0.00035 0.00038 0.00045 -0.00005 0.00003 132 4YY -0.00066 -0.00015 -0.00027 0.00002 0.00000 133 4ZZ 0.00194 -0.00056 -0.00077 -0.00002 -0.00001 134 4XY 0.00072 0.00100 -0.00074 -0.00027 0.00012 135 4XZ 0.00173 -0.00120 0.00001 0.00005 -0.00001 136 4YZ -0.00124 -0.00023 0.00098 0.00026 -0.00010 137 17 C 1S 0.00950 0.00149 -0.00354 -0.00071 0.00004 138 2S -0.02241 -0.00030 0.00661 0.00088 -0.00016 139 2PX 0.02166 0.01372 -0.02091 -0.00527 0.00263 140 2PY -0.01859 -0.00229 0.01558 0.00107 -0.00085 141 2PZ -0.01003 -0.00721 0.00057 0.00439 -0.00130 142 3S -0.04285 -0.01053 0.02490 0.00169 -0.00169 143 3PX 0.00789 0.00921 -0.00564 -0.00394 0.00184 144 3PY -0.01495 -0.00064 0.01187 0.00084 0.00011 145 3PZ -0.01273 -0.00996 0.00643 0.00308 -0.00116 146 4XX 0.00315 -0.00123 -0.00385 0.00026 -0.00010 147 4YY -0.00075 0.00027 0.00119 -0.00010 0.00008 148 4ZZ -0.00017 0.00052 0.00131 -0.00016 0.00007 149 4XY -0.00423 0.00158 0.00242 -0.00005 -0.00004 150 4XZ -0.00206 0.00124 0.00098 -0.00017 0.00010 151 4YZ 0.00491 -0.00049 -0.00297 0.00001 0.00007 152 18 H 1S 0.00930 0.00200 -0.00085 -0.00050 0.00037 153 2S 0.01861 0.00258 -0.00354 -0.00101 0.00070 154 19 H 1S 0.00940 -0.00345 -0.00179 0.00094 -0.00043 155 2S 0.02183 -0.00528 -0.01227 0.00117 -0.00052 156 20 H 1S -0.02164 0.00339 0.01689 -0.00102 0.00002 157 2S -0.01156 0.00512 0.00920 -0.00139 0.00026 158 21 H 1S -0.00794 -0.00186 -0.00143 0.00039 -0.00023 159 2S -0.01862 -0.00056 0.00370 0.00096 -0.00051 160 22 O 1S -0.00142 -0.00426 0.00192 0.00007 -0.00006 161 2S -0.00210 0.00988 -0.00330 -0.00017 0.00022 162 2PX -0.00817 -0.01627 -0.00864 0.00236 -0.00167 163 2PY 0.01577 0.00470 0.01122 -0.00047 -0.00014 164 2PZ 0.02054 0.00925 0.01854 -0.00184 0.00100 165 3S 0.02453 0.01277 -0.01834 -0.00011 0.00019 166 3PX -0.01123 -0.01247 -0.00387 0.00200 -0.00128 167 3PY 0.00766 0.00282 0.00921 -0.00036 -0.00012 168 3PZ 0.01284 0.00864 0.01390 -0.00202 0.00108 169 4XX -0.00147 -0.00013 0.00156 0.00013 -0.00005 170 4YY -0.00173 -0.00044 0.00007 0.00000 0.00002 171 4ZZ -0.00103 0.00032 0.00067 -0.00012 0.00001 172 4XY 0.00020 0.00066 0.00002 -0.00009 0.00007 173 4XZ -0.00032 0.00012 -0.00034 -0.00002 0.00001 174 4YZ 0.00030 -0.00037 -0.00151 0.00002 0.00000 175 23 O 1S -0.00314 0.00232 0.00044 0.00000 -0.00004 176 2S 0.00674 -0.00621 0.00084 0.00009 0.00004 177 2PX -0.04386 0.01548 0.02318 0.00031 -0.00041 178 2PY 0.00766 -0.00397 0.01235 -0.00001 -0.00024 179 2PZ 0.03158 -0.00332 -0.02613 -0.00068 0.00034 180 3S 0.01954 -0.00641 -0.00831 -0.00044 0.00028 181 3PX -0.03921 0.01308 0.02231 0.00021 -0.00031 182 3PY 0.00583 -0.00226 0.00876 -0.00012 -0.00018 183 3PZ 0.02958 -0.00470 -0.02175 -0.00053 0.00030 184 4XX -0.00241 0.00063 0.00160 0.00002 -0.00002 185 4YY -0.00017 -0.00018 0.00089 0.00002 -0.00002 186 4ZZ 0.00105 -0.00029 -0.00081 0.00007 -0.00002 187 4XY -0.00170 0.00061 0.00083 0.00003 -0.00003 188 4XZ 0.00058 -0.00016 -0.00001 0.00001 0.00000 189 4YZ 0.00005 -0.00005 -0.00032 0.00003 -0.00002 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 0.00550 -0.00785 0.00827 -0.01087 0.21693 51 2S 0.00647 -0.00774 0.00608 -0.01062 0.17899 52 7 C 1S -0.00024 -0.00373 -0.00330 -0.00332 0.01338 53 2S 0.00008 0.00671 0.00637 0.00626 -0.02791 54 2PX -0.00219 -0.00235 -0.00296 -0.00857 0.03270 55 2PY -0.00190 0.00163 -0.00724 0.00162 0.00421 56 2PZ 0.01017 -0.00838 0.00074 -0.00096 0.03215 57 3S -0.00161 0.00854 0.00402 0.00762 -0.05772 58 3PX -0.00269 0.00001 -0.00054 -0.00548 0.01770 59 3PY 0.00056 0.00027 -0.00162 0.00013 0.01041 60 3PZ 0.00448 -0.00454 0.00042 0.00162 0.00730 61 4XX 0.00012 -0.00005 0.00004 -0.00034 0.00307 62 4YY -0.00047 0.00024 -0.00056 0.00029 -0.00535 63 4ZZ 0.00030 -0.00056 0.00018 -0.00043 0.00632 64 4XY -0.00028 0.00027 0.00003 0.00026 -0.00350 65 4XZ 0.00010 -0.00010 0.00045 0.00003 0.00387 66 4YZ -0.00044 0.00010 -0.00005 0.00013 -0.00211 67 8 H 1S -0.00273 0.00411 -0.00313 0.00349 -0.02290 68 2S -0.00329 0.00215 -0.00474 0.00262 -0.02758 69 9 C 1S -0.00037 -0.00004 0.00009 -0.00021 -0.00090 70 2S 0.00057 0.00040 -0.00017 0.00066 0.00147 71 2PX -0.00085 0.00037 -0.00006 -0.00122 0.00009 72 2PY -0.00047 0.00034 -0.00073 -0.00083 0.00103 73 2PZ -0.00074 -0.00159 0.00000 -0.00019 -0.00298 74 3S 0.00193 -0.00050 -0.00079 0.00335 0.00354 75 3PX -0.00043 0.00021 0.00014 -0.00073 0.00130 76 3PY -0.00055 0.00015 -0.00102 -0.00066 -0.00023 77 3PZ -0.00069 -0.00145 -0.00003 -0.00060 -0.00070 78 4XX -0.00005 0.00006 0.00003 -0.00020 0.00044 79 4YY 0.00000 0.00012 0.00001 0.00000 -0.00008 80 4ZZ 0.00005 -0.00026 -0.00002 0.00013 0.00018 81 4XY -0.00008 0.00008 -0.00002 0.00000 -0.00020 82 4XZ -0.00005 0.00014 0.00004 -0.00038 0.00062 83 4YZ -0.00019 0.00027 -0.00018 0.00006 -0.00110 84 10 H 1S 0.00069 -0.00159 0.00023 0.00150 -0.00063 85 2S 0.00071 -0.00181 0.00036 0.00143 -0.00021 86 11 H 1S -0.00008 0.00000 0.00035 -0.00131 0.00342 87 2S -0.00013 0.00028 0.00060 -0.00304 0.00712 88 12 C 1S -0.00156 0.00079 -0.00073 0.00027 -0.00710 89 2S 0.00302 -0.00173 0.00157 -0.00069 0.01561 90 2PX -0.00377 0.00102 -0.00129 0.00015 -0.01137 91 2PY 0.00210 -0.00250 0.00116 0.00024 0.01106 92 2PZ -0.00733 0.00401 -0.00607 0.00074 -0.03375 93 3S 0.00350 -0.00172 0.00278 -0.00357 0.04177 94 3PX -0.00170 0.00039 -0.00059 0.00017 -0.00462 95 3PY 0.00119 -0.00209 0.00026 -0.00024 0.01304 96 3PZ -0.00434 0.00270 -0.00305 0.00127 -0.02991 97 4XX -0.00013 0.00006 -0.00013 0.00012 -0.00119 98 4YY -0.00004 0.00000 -0.00017 0.00008 0.00007 99 4ZZ 0.00002 0.00010 0.00024 -0.00004 -0.00017 100 4XY -0.00015 0.00001 -0.00004 -0.00002 -0.00039 101 4XZ 0.00019 -0.00001 0.00024 0.00032 -0.00149 102 4YZ -0.00019 0.00008 -0.00013 -0.00005 -0.00084 103 13 H 1S -0.00072 0.00062 -0.00133 -0.00077 -0.00035 104 2S -0.00169 0.00141 -0.00151 -0.00146 -0.00121 105 14 H 1S -0.00156 0.00015 -0.00073 0.00083 -0.00882 106 2S -0.00124 0.00046 -0.00081 0.00265 -0.02135 107 15 C 1S -0.00005 -0.00008 0.00009 0.00010 0.00003 108 2S 0.00000 0.00016 -0.00011 -0.00026 0.00031 109 2PX 0.00020 -0.00013 0.00023 0.00037 -0.00016 110 2PY 0.00020 -0.00006 -0.00024 -0.00018 0.00010 111 2PZ 0.00011 -0.00029 0.00014 0.00024 0.00118 112 3S -0.00026 0.00027 -0.00021 -0.00048 0.00015 113 3PX 0.00012 -0.00013 0.00011 0.00014 0.00114 114 3PY 0.00003 -0.00009 -0.00008 0.00011 -0.00068 115 3PZ 0.00067 -0.00046 0.00021 0.00057 0.00049 116 4XX 0.00013 -0.00005 0.00004 0.00009 -0.00009 117 4YY 0.00000 0.00001 -0.00002 0.00002 -0.00008 118 4ZZ -0.00011 0.00004 -0.00001 -0.00009 0.00028 119 4XY -0.00008 0.00006 0.00002 -0.00010 0.00019 120 4XZ 0.00001 -0.00002 0.00000 0.00001 -0.00003 121 4YZ 0.00004 -0.00007 0.00001 0.00012 -0.00017 122 16 C 1S -0.00009 -0.00015 0.00014 0.00012 -0.00005 123 2S 0.00012 0.00040 -0.00022 -0.00031 -0.00019 124 2PX 0.00078 -0.00032 0.00094 0.00042 0.00044 125 2PY 0.00044 -0.00083 -0.00027 0.00109 -0.00075 126 2PZ -0.00055 -0.00062 -0.00048 0.00030 -0.00028 127 3S -0.00088 0.00199 -0.00100 -0.00083 -0.00200 128 3PX 0.00002 0.00069 0.00051 -0.00006 -0.00181 129 3PY -0.00009 -0.00034 -0.00015 0.00064 -0.00061 130 3PZ -0.00039 0.00057 -0.00056 0.00063 -0.00424 131 4XX -0.00002 -0.00023 0.00002 0.00018 -0.00016 132 4YY -0.00001 0.00009 -0.00003 -0.00004 -0.00019 133 4ZZ 0.00004 0.00008 0.00004 -0.00003 -0.00006 134 4XY 0.00015 -0.00017 0.00000 0.00028 -0.00041 135 4XZ -0.00003 0.00010 0.00003 -0.00011 0.00004 136 4YZ -0.00014 0.00022 0.00001 -0.00028 0.00040 137 17 C 1S -0.00029 -0.00017 0.00039 0.00066 -0.00015 138 2S 0.00024 0.00053 -0.00088 -0.00094 -0.00040 139 2PX 0.00290 -0.00297 0.00048 0.00435 -0.00505 140 2PY -0.00015 0.00044 -0.00018 -0.00114 0.00069 141 2PZ -0.00243 0.00268 0.00039 -0.00363 0.00682 142 3S 0.00040 0.00083 -0.00036 -0.00243 0.00376 143 3PX 0.00224 -0.00266 0.00043 0.00313 -0.00141 144 3PY -0.00090 0.00134 -0.00057 -0.00123 -0.00192 145 3PZ -0.00129 0.00150 0.00028 -0.00358 0.01246 146 4XX -0.00022 0.00008 0.00007 -0.00014 0.00035 147 4YY 0.00001 -0.00001 -0.00004 0.00004 -0.00008 148 4ZZ 0.00017 -0.00011 0.00001 0.00009 0.00003 149 4XY 0.00002 -0.00003 0.00000 0.00001 0.00004 150 4XZ 0.00012 -0.00007 -0.00003 0.00009 0.00002 151 4YZ 0.00000 0.00001 0.00008 0.00002 0.00023 152 18 H 1S 0.00047 -0.00021 0.00017 0.00044 -0.00069 153 2S 0.00082 -0.00047 0.00027 0.00086 -0.00180 154 19 H 1S -0.00017 0.00129 0.00016 -0.00121 0.00095 155 2S -0.00024 0.00125 0.00024 -0.00070 -0.00010 156 20 H 1S 0.00110 -0.00076 -0.00068 0.00057 -0.00193 157 2S 0.00140 -0.00166 -0.00025 0.00089 0.00431 158 21 H 1S -0.00041 0.00014 -0.00006 -0.00038 0.00108 159 2S -0.00114 0.00053 -0.00017 -0.00089 0.00129 160 22 O 1S -0.00013 -0.00001 -0.00007 -0.00018 0.00019 161 2S 0.00056 -0.00003 0.00008 0.00030 0.00028 162 2PX -0.00254 0.00170 -0.00035 -0.00253 0.00315 163 2PY -0.00020 -0.00006 0.00047 0.00051 0.00017 164 2PZ 0.00209 -0.00139 0.00009 0.00235 -0.00405 165 3S 0.00009 0.00011 0.00016 0.00123 -0.00398 166 3PX -0.00180 0.00141 -0.00017 -0.00239 0.00455 167 3PY -0.00005 -0.00014 0.00034 0.00031 0.00079 168 3PZ 0.00199 -0.00138 0.00012 0.00209 -0.00269 169 4XX -0.00002 0.00009 0.00000 -0.00014 0.00028 170 4YY 0.00003 0.00000 -0.00002 -0.00005 0.00012 171 4ZZ 0.00007 -0.00009 0.00001 0.00008 0.00003 172 4XY 0.00009 -0.00006 0.00000 0.00010 -0.00020 173 4XZ 0.00003 -0.00001 -0.00002 0.00002 -0.00012 174 4YZ -0.00006 0.00002 -0.00001 -0.00002 -0.00002 175 23 O 1S 0.00000 0.00015 -0.00004 -0.00002 -0.00010 176 2S -0.00011 -0.00016 0.00009 -0.00007 0.00005 177 2PX -0.00058 -0.00003 -0.00051 0.00033 -0.00034 178 2PY -0.00028 0.00001 0.00026 -0.00006 0.00008 179 2PZ 0.00066 0.00025 0.00007 0.00020 -0.00141 180 3S 0.00054 -0.00178 0.00022 0.00067 0.00234 181 3PX -0.00046 0.00025 -0.00043 0.00026 -0.00114 182 3PY -0.00004 -0.00020 0.00024 0.00007 0.00026 183 3PZ 0.00051 0.00043 0.00015 0.00008 -0.00126 184 4XX -0.00001 0.00007 -0.00002 -0.00004 -0.00010 185 4YY -0.00004 0.00007 0.00000 -0.00003 -0.00015 186 4ZZ -0.00003 0.00009 0.00001 -0.00008 0.00007 187 4XY -0.00003 0.00002 -0.00002 0.00001 -0.00012 188 4XZ 0.00000 -0.00001 0.00001 -0.00001 0.00005 189 4YZ 0.00000 0.00006 0.00000 -0.00005 0.00001 51 52 53 54 55 51 2S 0.17164 52 7 C 1S 0.01887 2.05499 53 2S -0.03229 -0.06133 0.32633 54 2PX 0.07741 0.00315 -0.00483 0.35439 55 2PY -0.00142 -0.00191 -0.00376 0.02302 0.41151 56 2PZ 0.06794 0.00214 0.00093 0.04001 -0.00391 57 3S -0.05898 -0.19781 0.29069 0.01224 0.00350 58 3PX 0.03768 -0.00758 0.01604 0.19638 -0.01982 59 3PY 0.01146 0.00758 0.00820 0.00467 0.13002 60 3PZ 0.01283 0.00297 -0.00462 -0.04853 0.01429 61 4XX 0.00157 -0.01132 -0.01296 -0.00889 -0.00494 62 4YY -0.00515 -0.01838 0.00158 0.00429 0.02195 63 4ZZ 0.00695 -0.01398 -0.00730 0.00781 -0.01079 64 4XY -0.00520 -0.00161 0.00345 -0.00762 0.00005 65 4XZ 0.00176 -0.00249 0.00560 -0.00453 -0.00528 66 4YZ -0.00393 0.00081 -0.00153 -0.00335 -0.00229 67 8 H 1S -0.02724 -0.05969 0.11295 0.02941 0.26416 68 2S -0.03410 -0.01311 0.02597 0.00927 0.24494 69 9 C 1S -0.00047 -0.00202 0.00420 0.00310 -0.00914 70 2S -0.00004 0.00459 -0.00918 -0.00431 0.01813 71 2PX 0.00382 -0.00180 0.00337 0.00565 -0.00361 72 2PY 0.00097 0.01024 -0.02612 -0.00236 0.03528 73 2PZ 0.00410 -0.00336 0.01374 0.00369 -0.00754 74 3S -0.00168 -0.00082 -0.01381 -0.04769 0.07650 75 3PX 0.00383 0.00044 0.00408 0.00897 -0.00860 76 3PY -0.00067 0.00685 -0.01928 -0.00922 0.05188 77 3PZ 0.00421 0.00016 0.00716 0.01326 -0.00332 78 4XX 0.00114 -0.00043 0.00105 0.00160 -0.00085 79 4YY -0.00033 -0.00057 0.00088 0.00257 -0.00192 80 4ZZ -0.00007 0.00018 -0.00091 -0.00295 0.00150 81 4XY -0.00069 0.00034 -0.00060 0.00054 0.00070 82 4XZ 0.00148 -0.00007 0.00013 0.00227 -0.00068 83 4YZ -0.00253 0.00151 -0.00341 -0.00257 0.00453 84 10 H 1S -0.00022 -0.00194 0.00810 -0.00892 -0.00399 85 2S -0.00044 -0.00257 0.00829 -0.01197 -0.01247 86 11 H 1S 0.01033 -0.00421 0.01109 0.01223 -0.01109 87 2S 0.01814 -0.00628 0.01442 0.02776 -0.02015 88 12 C 1S -0.00909 0.01252 -0.02297 -0.02143 0.02956 89 2S 0.02150 -0.02336 0.03914 0.04299 -0.05547 90 2PX -0.02682 0.01708 -0.03374 0.00050 0.02749 91 2PY 0.01593 -0.02349 0.04867 0.02057 -0.03155 92 2PZ -0.06649 0.06432 -0.13740 -0.10108 0.12206 93 3S 0.05147 0.00258 0.02396 0.09360 -0.11181 94 3PX -0.01221 0.00271 -0.01329 -0.00003 0.01603 95 3PY 0.01570 -0.00571 0.01147 0.01358 0.00261 96 3PZ -0.04622 0.01309 -0.04403 -0.04351 0.05774 97 4XX -0.00276 0.00197 -0.00450 -0.00736 0.00167 98 4YY -0.00017 0.00081 -0.00222 -0.00072 0.00983 99 4ZZ 0.00099 -0.00456 0.00848 0.00573 -0.00739 100 4XY -0.00092 0.00115 -0.00204 0.00143 -0.00103 101 4XZ -0.00196 -0.00264 0.00524 -0.00785 -0.00344 102 4YZ -0.00199 0.00410 -0.00767 -0.00393 -0.00341 103 13 H 1S -0.00360 0.00810 -0.02346 -0.00302 0.00514 104 2S -0.00328 0.01254 -0.02988 0.00775 0.01031 105 14 H 1S -0.02287 0.00809 -0.01963 -0.02500 0.00184 106 2S -0.03822 0.01421 -0.02688 -0.08200 0.01218 107 15 C 1S -0.00020 0.00031 0.00016 -0.00230 0.00028 108 2S 0.00145 -0.00014 0.00012 0.00528 -0.00125 109 2PX -0.00178 0.00106 -0.00104 -0.00789 0.00129 110 2PY 0.00108 -0.00028 0.00035 0.00361 0.00069 111 2PZ 0.00027 -0.00089 0.00172 -0.00116 0.00103 112 3S 0.00175 -0.00167 -0.00067 0.01412 -0.00313 113 3PX 0.00061 0.00070 0.00067 -0.00054 -0.00011 114 3PY -0.00008 0.00010 -0.00080 -0.00121 -0.00034 115 3PZ 0.00033 -0.00012 0.00145 -0.01062 0.00170 116 4XX -0.00015 0.00047 -0.00028 -0.00260 0.00032 117 4YY -0.00005 0.00012 -0.00014 -0.00035 0.00024 118 4ZZ 0.00025 -0.00034 0.00032 0.00261 -0.00051 119 4XY 0.00050 -0.00036 0.00075 0.00234 -0.00068 120 4XZ -0.00001 -0.00011 0.00015 0.00004 0.00017 121 4YZ -0.00019 0.00050 -0.00078 -0.00242 0.00047 122 16 C 1S 0.00058 -0.00096 0.00324 0.00345 -0.00441 123 2S -0.00103 0.00309 -0.00397 -0.00801 0.00650 124 2PX 0.00607 -0.00602 0.01970 0.00550 -0.00668 125 2PY -0.00444 0.00166 -0.00256 -0.02186 0.01611 126 2PZ -0.00384 0.00542 -0.01608 -0.01141 0.00646 127 3S -0.00662 -0.00390 -0.01547 -0.01235 0.04106 128 3PX 0.00104 -0.00525 0.01582 0.01447 -0.00809 129 3PY -0.00090 -0.00344 0.00096 -0.00299 0.01500 130 3PZ -0.00986 0.00095 -0.01385 -0.02188 0.00944 131 4XX -0.00018 -0.00015 0.00009 -0.00100 -0.00028 132 4YY -0.00042 0.00008 -0.00002 0.00029 0.00010 133 4ZZ 0.00012 -0.00011 0.00080 0.00016 -0.00085 134 4XY -0.00102 0.00037 -0.00017 -0.00560 0.00230 135 4XZ 0.00048 -0.00016 0.00052 0.00162 -0.00076 136 4YZ 0.00077 -0.00043 0.00030 0.00505 -0.00154 137 17 C 1S -0.00151 -0.00195 0.00260 -0.00843 0.00428 138 2S 0.00010 0.00085 -0.01172 0.01025 -0.00287 139 2PX -0.01516 0.00438 -0.00253 -0.10007 0.03473 140 2PY 0.00607 0.00057 -0.00518 0.02519 -0.01767 141 2PZ 0.00957 -0.00771 0.01090 0.08812 -0.02312 142 3S 0.00975 0.01939 -0.00898 0.03369 -0.03756 143 3PX -0.00671 -0.00116 0.00241 -0.06898 0.02648 144 3PY 0.00048 -0.00042 -0.00593 0.01876 0.00967 145 3PZ 0.01872 0.00289 0.00279 0.07191 -0.01844 146 4XX 0.00029 -0.00166 0.00291 0.00639 -0.00236 147 4YY -0.00018 -0.00015 -0.00072 -0.00200 0.00233 148 4ZZ 0.00021 0.00005 -0.00093 -0.00300 0.00031 149 4XY -0.00046 0.00065 -0.00175 -0.00232 -0.00081 150 4XZ -0.00056 0.00087 -0.00215 -0.00444 0.00155 151 4YZ 0.00024 -0.00069 0.00189 0.00161 0.00050 152 18 H 1S -0.00122 0.00142 -0.00087 -0.01076 0.00153 153 2S -0.00266 0.00191 -0.00083 -0.02156 0.00370 154 19 H 1S 0.00361 -0.00217 0.00570 0.01886 -0.00820 155 2S 0.00234 -0.00428 0.00822 0.02244 -0.01240 156 20 H 1S -0.00036 0.00600 -0.01492 -0.02504 0.00206 157 2S 0.00495 0.00674 -0.01323 -0.02736 0.00707 158 21 H 1S 0.00093 -0.00145 0.00102 0.00985 -0.00186 159 2S 0.00051 -0.00191 0.00050 0.01930 -0.00327 160 22 O 1S 0.00148 -0.00006 0.00124 0.00404 -0.00016 161 2S -0.00269 0.00144 -0.00357 -0.00922 0.00011 162 2PX 0.00741 -0.00871 0.01381 0.06018 -0.01144 163 2PY 0.00120 0.00185 -0.00158 -0.00860 -0.00100 164 2PZ -0.00151 0.00815 -0.00917 -0.05232 0.01312 165 3S -0.00954 -0.00560 -0.00092 -0.01760 0.00057 166 3PX 0.00835 -0.00393 0.01001 0.05169 -0.01067 167 3PY 0.00169 0.00167 -0.00082 -0.00514 -0.00137 168 3PZ -0.00184 0.00725 -0.00760 -0.04912 0.01409 169 4XX 0.00063 0.00024 -0.00022 0.00249 -0.00102 170 4YY 0.00018 0.00041 0.00028 0.00014 0.00053 171 4ZZ -0.00002 0.00077 -0.00013 -0.00221 0.00025 172 4XY -0.00051 0.00030 -0.00069 -0.00263 0.00048 173 4XZ -0.00021 0.00009 -0.00043 -0.00078 0.00004 174 4YZ -0.00026 -0.00035 0.00059 0.00104 0.00015 175 23 O 1S -0.00077 -0.00022 -0.00083 -0.00029 0.00057 176 2S 0.00190 -0.00032 0.00189 0.00260 -0.00159 177 2PX -0.00462 0.00196 -0.01053 -0.00511 0.00636 178 2PY 0.00423 -0.00012 0.00069 0.00505 -0.00592 179 2PZ -0.00298 -0.00038 0.00618 -0.01085 0.00505 180 3S 0.00493 0.00417 0.00260 -0.00468 -0.00354 181 3PX -0.00489 0.00087 -0.00950 -0.00800 0.00668 182 3PY 0.00317 0.00084 0.00063 0.00068 -0.00534 183 3PZ -0.00198 -0.00100 0.00695 -0.00652 0.00313 184 4XX -0.00028 0.00013 -0.00070 -0.00054 0.00032 185 4YY 0.00000 -0.00035 0.00001 0.00039 -0.00001 186 4ZZ 0.00022 -0.00059 0.00049 0.00161 -0.00047 187 4XY -0.00030 -0.00006 -0.00032 0.00006 -0.00005 188 4XZ 0.00015 -0.00001 0.00012 0.00024 -0.00009 189 4YZ 0.00001 0.00000 0.00005 0.00046 -0.00022 56 57 58 59 60 56 2PZ 0.38400 57 3S -0.02807 0.30061 58 3PX -0.03217 0.02129 0.12488 59 3PY 0.01758 -0.00563 -0.00624 0.05321 60 3PZ 0.17020 -0.02581 -0.05271 0.01514 0.09658 61 4XX -0.00137 -0.01129 -0.00518 -0.00167 0.00075 62 4YY -0.00253 0.00386 0.00114 0.00652 -0.00038 63 4ZZ 0.00470 -0.00678 0.00449 -0.00330 -0.00006 64 4XY -0.00415 0.00321 -0.00319 -0.00011 -0.00028 65 4XZ -0.00116 0.00351 -0.00169 -0.00145 0.00063 66 4YZ -0.01081 -0.00060 -0.00006 -0.00162 -0.00357 67 8 H 1S -0.02264 0.11235 0.00498 0.08410 -0.00406 68 2S -0.02198 0.03320 -0.01110 0.07232 0.00216 69 9 C 1S 0.00490 0.00385 0.00368 -0.00396 0.00182 70 2S -0.01663 -0.00945 -0.00480 0.00899 -0.00699 71 2PX 0.00160 0.01292 -0.00201 -0.00015 -0.00415 72 2PY -0.03068 -0.02808 -0.00942 0.01240 -0.02231 73 2PZ 0.02388 -0.00623 0.01452 0.02514 0.02493 74 3S 0.00218 -0.01020 -0.04237 0.02365 0.01384 75 3PX -0.00185 0.00771 0.00407 -0.00201 -0.00494 76 3PY -0.01857 -0.01837 -0.01155 0.01565 -0.00894 77 3PZ 0.01589 -0.00339 0.01371 0.01143 0.01345 78 4XX -0.00003 0.00059 0.00185 0.00079 -0.00002 79 4YY 0.00053 0.00051 0.00138 -0.00036 -0.00117 80 4ZZ 0.00092 -0.00049 -0.00227 -0.00067 0.00161 81 4XY -0.00295 -0.00114 0.00075 0.00018 -0.00084 82 4XZ -0.00232 -0.00027 0.00192 -0.00021 -0.00237 83 4YZ -0.00723 -0.00211 -0.00124 0.00038 -0.00342 84 10 H 1S 0.02444 -0.00360 -0.00075 0.00943 0.02497 85 2S 0.03387 0.00098 -0.00617 0.00178 0.02866 86 11 H 1S 0.01092 0.01102 0.00908 0.00455 0.00279 87 2S 0.01335 0.01061 0.02205 0.00342 -0.00198 88 12 C 1S -0.05185 -0.00158 -0.00447 0.00707 -0.00574 89 2S 0.10797 0.01520 0.01064 -0.01663 0.02430 90 2PX -0.08301 -0.03857 0.00011 0.00297 -0.01550 91 2PY 0.11039 0.03620 0.00743 -0.01297 0.05084 92 2PZ -0.23453 -0.11064 -0.03885 0.01883 -0.09077 93 3S 0.08684 0.00025 0.04852 -0.02853 -0.00063 94 3PX -0.03735 -0.01153 -0.00165 -0.00036 -0.00754 95 3PY 0.05338 0.00988 0.00132 -0.00475 0.02377 96 3PZ -0.11715 -0.02320 -0.01622 0.00275 -0.04787 97 4XX -0.00375 -0.00464 -0.00411 -0.00008 0.00010 98 4YY -0.00224 -0.00177 -0.00125 0.00342 -0.00014 99 4ZZ 0.00103 0.00861 0.00456 -0.00229 -0.00148 100 4XY -0.00361 -0.00249 0.00119 -0.00060 -0.00105 101 4XZ 0.00571 0.00331 -0.00506 -0.00034 0.00512 102 4YZ -0.00869 -0.00612 -0.00155 -0.00276 -0.00415 103 13 H 1S -0.02613 -0.01620 0.00408 -0.00731 -0.02954 104 2S -0.05902 -0.01438 0.01446 -0.00677 -0.04306 105 14 H 1S -0.02345 -0.03206 -0.01669 -0.00582 0.00221 106 2S -0.02898 -0.04475 -0.04621 0.00375 0.01693 107 15 C 1S 0.00028 -0.00427 -0.00077 0.00191 0.00078 108 2S -0.00036 0.00569 0.00092 -0.00097 -0.00391 109 2PX 0.00106 -0.01577 -0.00104 0.00453 0.00864 110 2PY 0.00187 0.00789 -0.00268 0.00141 -0.00227 111 2PZ 0.00274 0.01037 -0.00059 -0.00641 0.00421 112 3S -0.00049 0.00771 0.00509 -0.00322 -0.00671 113 3PX 0.00161 -0.00049 0.00104 -0.00155 0.00251 114 3PY 0.00116 -0.00407 -0.00170 0.00207 0.00056 115 3PZ 0.00866 -0.00685 -0.00525 0.00533 0.00993 116 4XX 0.00062 -0.00398 -0.00129 0.00246 0.00156 117 4YY 0.00036 -0.00117 0.00005 0.00051 0.00071 118 4ZZ -0.00089 0.00503 0.00109 -0.00301 -0.00210 119 4XY -0.00100 0.00072 0.00172 -0.00061 -0.00133 120 4XZ -0.00005 0.00050 -0.00014 0.00009 -0.00040 121 4YZ 0.00097 -0.00382 -0.00104 0.00135 0.00158 122 16 C 1S -0.00066 -0.00040 0.00317 0.00096 -0.00133 123 2S 0.00422 -0.00631 -0.00581 0.00158 0.00434 124 2PX -0.00167 -0.01557 0.01645 0.02124 -0.00019 125 2PY 0.01217 -0.00887 -0.01834 0.00077 0.01980 126 2PZ 0.00573 0.00404 -0.02241 -0.01483 -0.00082 127 3S -0.01991 -0.00131 -0.00671 0.00009 -0.00727 128 3PX -0.01702 -0.00104 0.01959 0.01035 -0.00997 129 3PY -0.01066 -0.00791 0.00145 0.00611 0.00096 130 3PZ -0.00461 0.00824 -0.02259 -0.01129 -0.00260 131 4XX 0.00082 0.00048 -0.00095 -0.00073 0.00042 132 4YY -0.00048 0.00091 0.00000 -0.00033 -0.00013 133 4ZZ 0.00001 -0.00076 0.00059 0.00107 -0.00013 134 4XY 0.00325 -0.00075 -0.00377 0.00101 0.00331 135 4XZ -0.00149 -0.00094 0.00169 0.00101 -0.00148 136 4YZ -0.00330 0.00172 0.00388 -0.00112 -0.00305 137 17 C 1S 0.00244 0.00479 0.00167 0.00191 0.00396 138 2S -0.00672 0.00188 -0.00231 -0.00686 -0.00722 139 2PX 0.05650 -0.00879 -0.06592 0.01521 0.05403 140 2PY -0.00962 0.00295 0.01541 -0.00272 -0.01961 141 2PZ -0.05946 0.03433 0.06243 -0.01959 -0.05024 142 3S 0.01772 0.00633 0.00809 -0.01663 -0.00658 143 3PX 0.05827 -0.01131 -0.04891 0.01405 0.04815 144 3PY -0.01997 0.00142 0.01363 -0.00006 -0.01788 145 3PZ -0.02544 0.01276 0.04703 -0.01041 -0.03220 146 4XX -0.00506 0.00712 0.00462 -0.00312 -0.00457 147 4YY 0.00114 -0.00221 -0.00123 0.00109 0.00142 148 4ZZ 0.00308 -0.00431 -0.00194 0.00251 0.00257 149 4XY 0.00135 0.00026 -0.00166 -0.00187 0.00108 150 4XZ 0.00101 -0.00174 -0.00304 0.00075 0.00144 151 4YZ -0.00103 -0.00001 0.00253 0.00115 0.00021 152 18 H 1S 0.00282 -0.01834 -0.00436 0.01006 0.00827 153 2S 0.00565 -0.02969 -0.00958 0.01784 0.01473 154 19 H 1S -0.01269 0.00326 0.01990 0.00386 -0.01165 155 2S -0.02171 0.00516 0.02251 0.00369 -0.01651 156 20 H 1S 0.02148 -0.01940 -0.02450 0.00643 0.01187 157 2S 0.02821 -0.02510 -0.02492 0.01126 0.01827 158 21 H 1S -0.00338 0.02158 0.00373 -0.01273 -0.00671 159 2S -0.01361 0.03436 0.00894 -0.02261 -0.01664 160 22 O 1S 0.00063 -0.00072 -0.00230 0.00275 -0.00410 161 2S 0.00159 0.00713 0.00370 -0.00818 0.00911 162 2PX -0.01992 0.06014 0.03304 -0.03525 -0.03603 163 2PY 0.00434 -0.03805 0.01207 0.00553 0.01763 164 2PZ 0.02773 -0.09377 -0.02384 0.05511 0.04421 165 3S -0.01792 0.00112 0.00864 -0.00729 0.00832 166 3PX -0.01445 0.04692 0.02864 -0.02790 -0.02875 167 3PY 0.00722 -0.02465 0.00708 0.00346 0.01326 168 3PZ 0.03125 -0.06964 -0.02555 0.04139 0.04031 169 4XX -0.00083 -0.00102 0.00166 0.00027 -0.00089 170 4YY 0.00077 0.00234 -0.00115 -0.00011 -0.00071 171 4ZZ 0.00242 0.00015 -0.00189 -0.00023 0.00145 172 4XY 0.00036 -0.00189 -0.00172 0.00110 0.00119 173 4XZ 0.00006 0.00061 -0.00060 -0.00050 0.00008 174 4YZ -0.00079 0.00343 0.00027 -0.00176 -0.00116 175 23 O 1S -0.00038 0.00478 0.00034 -0.00292 -0.00037 176 2S -0.00241 -0.01174 0.00062 0.00710 -0.00261 177 2PX 0.00385 0.01339 -0.00598 -0.01718 0.00465 178 2PY -0.00207 -0.01504 0.01028 0.00351 -0.00627 179 2PZ 0.00366 -0.00940 -0.00676 0.01291 0.01134 180 3S 0.01629 -0.02205 -0.00577 0.01075 0.01418 181 3PX 0.00037 0.00989 -0.00764 -0.01268 0.00164 182 3PY 0.00212 -0.01203 0.00555 0.00296 -0.00118 183 3PZ 0.00013 -0.00810 -0.00206 0.01200 0.00637 184 4XX -0.00035 -0.00027 -0.00061 -0.00014 -0.00022 185 4YY -0.00100 -0.00009 0.00059 0.00005 -0.00109 186 4ZZ -0.00143 0.00112 0.00155 -0.00034 -0.00116 187 4XY -0.00023 0.00078 0.00003 -0.00066 -0.00012 188 4XZ -0.00015 -0.00042 0.00039 0.00024 -0.00009 189 4YZ -0.00048 0.00012 0.00021 0.00012 -0.00030 61 62 63 64 65 61 4XX 0.00149 62 4YY -0.00052 0.00186 63 4ZZ 0.00007 -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 0.01671 -0.00993 0.00155 -0.00194 68 2S -0.00501 0.01588 -0.00874 0.00135 -0.00309 69 9 C 1S 0.00030 -0.00148 0.00048 0.00034 0.00008 70 2S -0.00104 0.00319 -0.00116 -0.00074 -0.00025 71 2PX 0.00016 -0.00054 0.00018 -0.00001 -0.00082 72 2PY -0.00101 0.00818 -0.00392 -0.00173 -0.00099 73 2PZ 0.00235 -0.00101 0.00006 0.00056 -0.00056 74 3S -0.00084 0.00541 -0.00338 -0.00077 -0.00033 75 3PX 0.00010 -0.00059 0.00022 -0.00018 -0.00058 76 3PY -0.00038 0.00566 -0.00313 -0.00045 -0.00110 77 3PZ 0.00078 0.00002 -0.00023 0.00014 -0.00060 78 4XX 0.00012 -0.00023 0.00006 0.00006 -0.00005 79 4YY -0.00021 0.00009 0.00022 -0.00008 0.00008 80 4ZZ 0.00010 -0.00009 -0.00005 0.00001 0.00003 81 4XY 0.00020 0.00003 -0.00017 -0.00002 0.00028 82 4XZ -0.00014 -0.00003 0.00008 0.00002 0.00001 83 4YZ 0.00004 0.00020 -0.00002 0.00012 -0.00009 84 10 H 1S 0.00137 -0.00100 -0.00013 0.00010 0.00069 85 2S 0.00250 -0.00204 -0.00038 -0.00006 0.00099 86 11 H 1S -0.00024 -0.00155 0.00123 0.00019 -0.00082 87 2S -0.00114 -0.00211 0.00239 0.00041 -0.00093 88 12 C 1S 0.00165 0.00168 -0.00512 0.00133 -0.00200 89 2S -0.00383 -0.00346 0.00885 -0.00249 0.00368 90 2PX 0.00730 0.00096 -0.00570 -0.00081 0.00911 91 2PY -0.00065 -0.00950 0.00773 0.00065 0.00272 92 2PZ 0.00545 0.00364 0.00068 0.00406 -0.00358 93 3S -0.00365 -0.00684 0.01172 -0.00382 0.00373 94 3PX 0.00317 0.00064 -0.00266 -0.00044 0.00421 95 3PY -0.00081 -0.00362 0.00391 -0.00012 0.00107 96 3PZ 0.00129 0.00256 -0.00033 0.00239 -0.00117 97 4XX 0.00055 -0.00029 0.00004 0.00017 0.00026 98 4YY -0.00011 0.00085 -0.00055 -0.00004 -0.00019 99 4ZZ -0.00043 -0.00039 0.00029 0.00001 -0.00011 100 4XY 0.00026 -0.00005 -0.00009 -0.00006 0.00038 101 4XZ 0.00024 -0.00016 -0.00052 0.00012 0.00062 102 4YZ 0.00030 -0.00031 0.00033 0.00008 -0.00002 103 13 H 1S -0.00244 -0.00242 0.00811 0.00106 -0.00401 104 2S -0.00103 -0.00166 0.00534 0.00102 -0.00503 105 14 H 1S 0.00458 -0.00287 0.00116 0.00002 0.00707 106 2S 0.00610 -0.00199 -0.00220 0.00147 0.00575 107 15 C 1S 0.00004 0.00013 0.00003 0.00003 0.00016 108 2S 0.00020 -0.00018 0.00009 0.00003 -0.00059 109 2PX 0.00021 0.00006 -0.00010 -0.00012 0.00040 110 2PY -0.00035 0.00002 0.00026 -0.00017 -0.00029 111 2PZ -0.00101 0.00037 0.00014 0.00013 0.00018 112 3S 0.00069 -0.00020 -0.00002 -0.00016 -0.00113 113 3PX -0.00030 -0.00012 0.00010 -0.00009 0.00002 114 3PY 0.00023 -0.00008 0.00009 -0.00006 -0.00014 115 3PZ -0.00113 0.00041 0.00051 0.00026 0.00024 116 4XX 0.00006 0.00002 0.00004 0.00004 0.00007 117 4YY -0.00003 0.00002 0.00002 -0.00003 -0.00003 118 4ZZ -0.00004 -0.00004 -0.00008 -0.00001 0.00000 119 4XY -0.00015 0.00002 0.00010 0.00001 0.00004 120 4XZ -0.00006 0.00002 0.00001 0.00002 0.00002 121 4YZ 0.00024 -0.00002 -0.00009 0.00000 -0.00009 122 16 C 1S -0.00050 -0.00011 0.00057 0.00027 0.00026 123 2S 0.00121 0.00040 -0.00090 -0.00041 -0.00034 124 2PX -0.00642 0.00097 0.00319 0.00142 0.00302 125 2PY -0.00218 0.00126 0.00002 -0.00056 0.00109 126 2PZ 0.00551 -0.00060 -0.00255 -0.00099 -0.00228 127 3S 0.00314 0.00159 -0.00306 -0.00029 -0.00172 128 3PX -0.00457 0.00070 0.00203 0.00087 0.00155 129 3PY -0.00247 0.00134 0.00063 0.00000 0.00055 130 3PZ 0.00448 -0.00045 -0.00256 -0.00032 -0.00176 131 4XX 0.00002 -0.00003 -0.00003 0.00001 -0.00002 132 4YY 0.00001 0.00000 -0.00004 -0.00001 -0.00003 133 4ZZ -0.00011 0.00000 0.00012 0.00007 0.00008 134 4XY -0.00023 0.00013 -0.00002 0.00010 0.00023 135 4XZ -0.00002 -0.00001 0.00009 0.00005 -0.00002 136 4YZ 0.00021 -0.00009 -0.00009 -0.00009 -0.00015 137 17 C 1S -0.00149 0.00012 -0.00031 0.00016 0.00082 138 2S 0.00264 -0.00134 -0.00051 -0.00064 -0.00233 139 2PX -0.00496 0.00229 0.00005 0.00256 0.00541 140 2PY 0.00346 -0.00230 0.00012 0.00041 -0.00262 141 2PZ 0.00291 -0.00079 -0.00138 -0.00185 -0.00200 142 3S 0.00472 -0.00364 -0.00023 -0.00142 -0.00285 143 3PX -0.00307 0.00184 -0.00015 0.00135 0.00369 144 3PY 0.00193 0.00001 -0.00089 0.00003 -0.00203 145 3PZ 0.00247 -0.00113 -0.00026 -0.00168 -0.00204 146 4XX -0.00044 0.00003 0.00011 0.00002 0.00022 147 4YY 0.00004 0.00015 -0.00007 -0.00001 -0.00004 148 4ZZ 0.00018 -0.00003 0.00003 0.00004 -0.00003 149 4XY 0.00038 -0.00013 -0.00018 -0.00002 -0.00006 150 4XZ 0.00023 -0.00003 -0.00010 0.00009 -0.00003 151 4YZ -0.00043 0.00015 0.00011 0.00003 0.00023 152 18 H 1S 0.00012 0.00009 0.00020 0.00012 0.00031 153 2S -0.00027 0.00042 0.00041 0.00035 0.00087 154 19 H 1S -0.00039 -0.00023 0.00048 0.00024 0.00001 155 2S -0.00119 -0.00023 0.00102 0.00025 0.00013 156 20 H 1S 0.00237 -0.00130 0.00016 0.00041 -0.00177 157 2S 0.00128 -0.00061 0.00053 0.00025 -0.00071 158 21 H 1S -0.00017 -0.00012 -0.00023 0.00000 -0.00017 159 2S 0.00052 -0.00042 -0.00084 -0.00028 -0.00005 160 22 O 1S 0.00035 0.00017 0.00016 -0.00005 -0.00011 161 2S -0.00046 -0.00051 -0.00055 0.00017 0.00025 162 2PX -0.00293 0.00016 0.00088 -0.00094 0.00017 163 2PY 0.00032 0.00000 0.00000 -0.00031 -0.00046 164 2PZ 0.00201 0.00057 0.00045 -0.00014 -0.00175 165 3S -0.00246 0.00010 0.00027 0.00047 0.00070 166 3PX -0.00148 -0.00019 0.00035 -0.00083 -0.00011 167 3PY 0.00033 -0.00005 -0.00008 -0.00030 -0.00019 168 3PZ 0.00128 0.00055 0.00015 0.00014 -0.00076 169 4XX 0.00033 -0.00011 -0.00007 -0.00008 -0.00020 170 4YY -0.00001 0.00002 -0.00005 0.00002 0.00001 171 4ZZ -0.00001 -0.00003 -0.00002 0.00004 0.00007 172 4XY 0.00010 0.00001 -0.00005 0.00003 0.00002 173 4XZ -0.00002 -0.00003 0.00000 0.00003 -0.00005 174 4YZ -0.00021 0.00004 0.00000 0.00003 0.00017 175 23 O 1S 0.00005 -0.00013 -0.00024 -0.00001 -0.00001 176 2S 0.00009 0.00025 0.00047 0.00007 -0.00013 177 2PX 0.00284 -0.00074 -0.00252 -0.00087 -0.00149 178 2PY 0.00057 -0.00051 0.00016 0.00024 -0.00050 179 2PZ -0.00300 0.00126 0.00186 0.00054 0.00179 180 3S -0.00127 0.00029 0.00151 -0.00019 0.00050 181 3PX 0.00285 -0.00057 -0.00228 -0.00059 -0.00134 182 3PY 0.00037 -0.00046 0.00020 0.00018 -0.00030 183 3PZ -0.00270 0.00102 0.00155 0.00056 0.00155 184 4XX 0.00027 -0.00002 -0.00012 -0.00002 -0.00009 185 4YY 0.00006 -0.00002 -0.00004 0.00003 -0.00004 186 4ZZ -0.00011 -0.00001 0.00003 0.00002 0.00003 187 4XY 0.00012 -0.00005 -0.00008 -0.00001 -0.00007 188 4XZ -0.00002 0.00001 0.00002 0.00000 0.00001 189 4YZ 0.00002 0.00000 0.00004 0.00001 -0.00002 66 67 68 69 70 66 4YZ 0.00065 67 8 H 1S -0.00170 0.21714 68 2S -0.00104 0.17586 0.16496 69 9 C 1S 0.00110 -0.00717 -0.00907 2.05092 70 2S -0.00199 0.01458 0.01876 -0.05341 0.30682 71 2PX 0.00032 -0.00151 -0.00485 -0.00090 0.00094 72 2PY -0.00724 0.03618 0.06045 0.00199 -0.00122 73 2PZ 0.00107 -0.00434 -0.01994 -0.00339 0.00249 74 3S -0.00250 0.04598 0.05206 -0.18587 0.27976 75 3PX 0.00018 -0.00396 -0.00610 -0.00226 0.00385 76 3PY -0.00318 0.03698 0.04915 -0.00044 -0.00253 77 3PZ 0.00055 -0.00019 -0.00658 -0.00163 0.00937 78 4XX 0.00021 -0.00081 -0.00228 -0.01787 0.00019 79 4YY -0.00034 -0.00011 0.00023 -0.01551 -0.00514 80 4ZZ 0.00021 -0.00001 0.00044 -0.01630 -0.00351 81 4XY 0.00007 0.00029 0.00036 0.00056 -0.00106 82 4XZ -0.00004 -0.00020 -0.00043 0.00050 -0.00110 83 4YZ 0.00018 0.00198 0.00306 0.00140 -0.00268 84 10 H 1S 0.00105 -0.00529 -0.01306 -0.05287 0.10196 85 2S 0.00117 -0.01224 -0.01808 -0.00700 0.02105 86 11 H 1S 0.00098 -0.00724 -0.01829 -0.05306 0.10305 87 2S 0.00075 -0.01154 -0.02512 -0.00470 0.02007 88 12 C 1S 0.00340 0.01166 0.01409 0.01015 -0.01941 89 2S -0.00664 -0.02374 -0.02635 -0.01941 0.03034 90 2PX 0.00319 0.00669 0.01508 0.00027 -0.00112 91 2PY 0.00439 -0.03133 -0.05916 0.06234 -0.12841 92 2PZ 0.00854 0.03239 0.06668 0.00368 -0.00768 93 3S -0.00655 -0.06426 -0.06879 0.00627 0.00956 94 3PX 0.00139 0.00613 0.00961 0.00051 -0.00149 95 3PY 0.00182 -0.00754 -0.01769 0.01397 -0.04158 96 3PZ 0.00426 0.02545 0.03802 0.00321 -0.00962 97 4XX 0.00039 -0.00156 -0.00043 0.00206 -0.00506 98 4YY -0.00020 0.00650 0.00718 -0.00682 0.01180 99 4ZZ 0.00009 -0.00183 -0.00457 0.00208 -0.00477 100 4XY 0.00013 -0.00121 -0.00058 -0.00001 0.00002 101 4XZ -0.00011 -0.00093 -0.00158 -0.00011 0.00018 102 4YZ 0.00031 -0.00478 -0.00206 0.00032 -0.00030 103 13 H 1S 0.00144 -0.00897 -0.00497 0.00840 -0.02009 104 2S 0.00280 -0.00567 -0.00227 0.01010 -0.02085 105 14 H 1S 0.00220 -0.01340 -0.00728 0.00761 -0.01999 106 2S 0.00328 -0.01059 -0.00004 0.00792 -0.01756 107 15 C 1S 0.00007 0.00003 0.00032 -0.00065 0.00137 108 2S -0.00011 -0.00057 -0.00251 0.00156 -0.00373 109 2PX 0.00005 -0.00048 0.00236 -0.00190 0.00417 110 2PY -0.00002 0.00079 -0.00311 0.00001 0.00041 111 2PZ -0.00016 0.00234 0.00527 0.00281 -0.00423 112 3S -0.00013 -0.00148 -0.00319 0.00356 -0.00478 113 3PX 0.00009 -0.00031 0.00077 0.00052 -0.00167 114 3PY 0.00004 -0.00086 -0.00099 0.00086 -0.00110 115 3PZ -0.00028 0.00146 0.00219 0.00190 -0.00207 116 4XX -0.00002 -0.00016 -0.00032 -0.00032 0.00025 117 4YY 0.00000 0.00008 0.00021 -0.00006 0.00027 118 4ZZ 0.00001 0.00006 0.00022 0.00026 -0.00041 119 4XY -0.00001 0.00003 -0.00011 0.00015 -0.00060 120 4XZ 0.00000 0.00021 0.00000 0.00001 -0.00004 121 4YZ 0.00001 -0.00029 0.00036 -0.00031 0.00062 122 16 C 1S -0.00015 -0.00154 -0.00261 -0.00160 0.00237 123 2S 0.00011 0.00206 0.00376 0.00232 -0.00724 124 2PX -0.00055 0.00479 -0.00464 -0.00601 0.01600 125 2PY 0.00046 0.00970 0.01643 -0.00138 0.00411 126 2PZ 0.00052 -0.00401 0.00638 0.00522 -0.01807 127 3S 0.00055 0.02037 0.02622 0.00606 -0.00124 128 3PX -0.00013 0.00386 -0.00368 -0.00470 0.01725 129 3PY 0.00041 0.01136 0.01246 -0.00098 0.01047 130 3PZ 0.00045 -0.00076 0.00671 0.00664 -0.00698 131 4XX 0.00004 -0.00022 0.00028 -0.00063 0.00056 132 4YY 0.00001 0.00017 0.00015 0.00003 -0.00028 133 4ZZ -0.00007 -0.00023 -0.00083 -0.00062 0.00051 134 4XY -0.00004 0.00116 0.00147 -0.00037 0.00055 135 4XZ 0.00000 -0.00024 -0.00089 0.00066 -0.00101 136 4YZ 0.00003 -0.00057 -0.00104 0.00023 -0.00046 137 17 C 1S -0.00007 0.00408 0.00292 -0.00135 0.00331 138 2S 0.00042 -0.00633 -0.00297 0.00251 -0.00446 139 2PX -0.00117 0.01726 0.02258 -0.00749 0.01643 140 2PY -0.00042 -0.01446 -0.01732 0.00026 -0.00225 141 2PZ 0.00099 -0.00486 -0.01181 0.00676 -0.01383 142 3S -0.00038 -0.02949 -0.02846 0.00525 -0.02179 143 3PX -0.00132 0.01402 0.01788 -0.00501 0.00780 144 3PY 0.00012 0.00485 0.00477 0.00098 0.00160 145 3PZ 0.00000 -0.00815 -0.01338 0.00473 -0.01516 146 4XX 0.00008 0.00033 -0.00067 0.00003 0.00002 147 4YY -0.00001 0.00113 0.00161 -0.00008 0.00002 148 4ZZ -0.00010 -0.00055 -0.00050 -0.00049 0.00104 149 4XY -0.00001 -0.00137 -0.00017 0.00020 -0.00069 150 4XZ 0.00000 -0.00012 0.00045 0.00000 -0.00019 151 4YZ -0.00001 0.00127 0.00062 -0.00011 0.00086 152 18 H 1S -0.00004 -0.00050 -0.00051 -0.00148 0.00243 153 2S -0.00012 0.00055 0.00036 -0.00291 0.00564 154 19 H 1S -0.00028 -0.00202 -0.00894 0.00045 0.00109 155 2S -0.00010 -0.00284 -0.01062 0.00048 0.00573 156 20 H 1S -0.00041 -0.00805 -0.00416 -0.00132 0.00099 157 2S -0.00067 -0.00435 -0.00116 -0.00232 0.00125 158 21 H 1S 0.00002 0.00045 0.00163 0.00270 -0.00473 159 2S 0.00029 0.00001 0.00218 -0.00010 -0.00130 160 22 O 1S 0.00000 0.00030 -0.00252 0.00035 -0.00090 161 2S -0.00013 -0.00116 0.00539 -0.00036 0.00121 162 2PX 0.00009 0.00314 -0.00053 0.00404 -0.00894 163 2PY -0.00005 -0.00246 0.00903 -0.00108 0.00204 164 2PZ -0.00007 -0.00083 -0.00038 -0.00486 0.01105 165 3S 0.00070 0.00162 0.01044 -0.00302 0.00783 166 3PX -0.00009 0.00071 -0.00212 0.00391 -0.00956 167 3PY -0.00017 -0.00217 0.00531 -0.00036 0.00118 168 3PZ -0.00036 0.00107 0.00268 -0.00479 0.00936 169 4XX -0.00001 -0.00078 -0.00088 0.00039 -0.00038 170 4YY -0.00004 0.00045 -0.00030 0.00020 -0.00039 171 4ZZ -0.00006 -0.00011 0.00018 0.00013 0.00006 172 4XY 0.00002 -0.00008 0.00009 -0.00012 0.00032 173 4XZ 0.00000 -0.00013 0.00014 -0.00004 0.00003 174 4YZ 0.00002 0.00054 0.00048 0.00012 -0.00006 175 23 O 1S 0.00001 0.00027 0.00064 -0.00055 0.00098 176 2S 0.00003 -0.00065 -0.00182 0.00228 -0.00251 177 2PX 0.00036 -0.00043 0.00851 -0.00379 0.01216 178 2PY 0.00001 -0.00414 -0.00308 -0.00114 -0.00118 179 2PZ -0.00037 0.00615 0.00135 0.00311 -0.00876 180 3S -0.00001 -0.00284 -0.00272 -0.00116 -0.00487 181 3PX 0.00031 0.00000 0.00714 -0.00096 0.00699 182 3PY -0.00001 -0.00403 -0.00308 -0.00086 -0.00247 183 3PZ -0.00033 0.00529 0.00040 0.00116 -0.00346 184 4XX 0.00000 -0.00014 0.00008 0.00046 -0.00072 185 4YY 0.00001 0.00004 -0.00003 0.00040 -0.00042 186 4ZZ -0.00001 0.00006 -0.00024 0.00021 0.00056 187 4XY 0.00001 -0.00017 0.00002 -0.00008 0.00060 188 4XZ 0.00000 0.00000 -0.00006 0.00030 -0.00048 189 4YZ -0.00002 -0.00008 -0.00028 0.00031 -0.00067 71 72 73 74 75 71 2PX 0.41187 72 2PY -0.00499 0.38124 73 2PZ -0.00313 -0.00574 0.38896 74 3S -0.00647 0.00793 -0.02478 0.30210 75 3PX 0.18595 -0.00355 0.00071 -0.00137 0.08585 76 3PY 0.00076 0.17352 -0.00966 0.00729 -0.00186 77 3PZ 0.00744 -0.00608 0.17988 -0.00699 0.00654 78 4XX 0.01072 -0.01029 0.01115 -0.00035 0.00492 79 4YY 0.00056 0.01508 -0.00103 -0.00513 0.00020 80 4ZZ -0.01053 -0.00819 -0.00580 -0.00015 -0.00477 81 4XY -0.01582 0.00029 0.00039 -0.00117 -0.00724 82 4XZ 0.01494 -0.00053 -0.01187 -0.00235 0.00665 83 4YZ -0.00003 0.00069 -0.01284 -0.00250 -0.00016 84 10 H 1S -0.18021 -0.08046 0.17921 0.09108 -0.07906 85 2S -0.16491 -0.06623 0.15935 0.01901 -0.07320 86 11 H 1S 0.24407 -0.09284 0.06747 0.08095 0.11188 87 2S 0.21325 -0.07583 0.05573 -0.00680 0.09433 88 12 C 1S 0.00027 -0.06234 0.00368 0.00627 0.00051 89 2S -0.00112 0.12841 -0.00768 0.00956 -0.00149 90 2PX -0.00075 0.00197 0.00493 0.00446 -0.00514 91 2PY -0.00197 -0.31488 0.00211 -0.12580 -0.00285 92 2PZ 0.00493 -0.00212 0.00695 -0.00424 -0.00109 93 3S 0.00447 0.12580 -0.00424 -0.03255 0.00253 94 3PX -0.00514 0.00285 -0.00109 0.00253 -0.00533 95 3PY -0.00013 -0.14639 -0.01479 -0.03364 -0.00180 96 3PZ -0.00073 0.00208 -0.00677 -0.00816 -0.00276 97 4XX -0.00024 -0.00708 0.00043 -0.00420 -0.00048 98 4YY -0.00037 0.00827 0.00046 0.01297 -0.00018 99 4ZZ 0.00063 -0.00813 0.00082 -0.00656 0.00073 100 4XY -0.01155 0.00033 0.00029 -0.00016 -0.00535 101 4XZ -0.00064 -0.00060 0.00059 0.00163 -0.00063 102 4YZ 0.00043 0.00007 -0.01048 -0.00038 0.00012 103 13 H 1S 0.01884 -0.02735 -0.01614 -0.03336 0.00937 104 2S 0.03501 -0.05263 -0.02229 -0.03229 0.01823 105 14 H 1S -0.02272 -0.02939 -0.00278 -0.01940 -0.01473 106 2S -0.04407 -0.05181 -0.00223 -0.00379 -0.02328 107 15 C 1S 0.00329 -0.00005 0.00042 0.00215 0.00092 108 2S -0.00908 -0.00032 -0.00083 -0.00212 -0.00275 109 2PX 0.00788 0.00096 0.00238 0.00324 0.00254 110 2PY 0.00185 0.00005 0.00246 -0.00568 0.00021 111 2PZ -0.01835 0.00433 -0.00495 -0.01753 -0.00968 112 3S -0.01119 0.00019 -0.00241 -0.00295 -0.00371 113 3PX -0.00734 -0.00476 0.00093 -0.00221 -0.00299 114 3PY -0.00496 0.00071 0.00067 -0.00041 0.00015 115 3PZ -0.01921 0.00415 -0.00710 -0.00572 -0.01057 116 4XX 0.00064 0.00036 0.00001 0.00118 -0.00002 117 4YY 0.00022 0.00026 -0.00012 -0.00037 -0.00006 118 4ZZ -0.00038 -0.00035 -0.00005 -0.00068 0.00030 119 4XY -0.00009 0.00014 0.00029 -0.00087 -0.00002 120 4XZ -0.00050 0.00006 0.00002 0.00079 -0.00006 121 4YZ 0.00027 -0.00019 -0.00046 0.00190 0.00109 122 16 C 1S 0.00275 0.00037 -0.00219 0.00255 0.00447 123 2S -0.00839 0.00112 0.01167 -0.00748 -0.00430 124 2PX 0.01449 0.00147 -0.01969 0.01136 0.01166 125 2PY 0.00285 0.00184 -0.00129 -0.00173 0.00523 126 2PZ -0.01389 0.00169 0.01865 -0.00089 0.00415 127 3S -0.00167 -0.00813 -0.01872 0.00821 -0.00074 128 3PX 0.02393 0.00042 -0.03174 0.00614 0.01151 129 3PY 0.00749 -0.00131 -0.02065 0.01295 0.00524 130 3PZ -0.00779 -0.00013 0.00120 0.00619 -0.00038 131 4XX 0.00092 0.00003 -0.00036 0.00265 0.00163 132 4YY -0.00017 0.00039 0.00086 -0.00173 -0.00055 133 4ZZ 0.00050 0.00048 -0.00154 0.00032 -0.00056 134 4XY -0.00007 0.00037 -0.00068 0.00252 -0.00074 135 4XZ -0.00114 0.00007 0.00209 -0.00127 -0.00019 136 4YZ 0.00049 -0.00025 0.00104 -0.00140 0.00029 137 17 C 1S 0.00010 0.00131 -0.00447 0.00485 -0.00199 138 2S -0.00034 -0.00181 0.00621 -0.00903 0.00102 139 2PX -0.00553 0.00836 -0.02316 0.04192 -0.01623 140 2PY 0.00294 -0.00296 -0.00042 0.00883 0.00246 141 2PZ 0.00340 -0.00671 0.01780 -0.03612 0.00601 142 3S -0.00053 -0.00380 0.04389 -0.04200 0.00318 143 3PX -0.01195 0.01242 -0.01016 0.02839 -0.01262 144 3PY 0.00919 -0.00419 -0.00923 0.00535 0.00702 145 3PZ 0.00205 -0.00047 0.02306 -0.03138 0.00618 146 4XX -0.00010 -0.00020 -0.00037 -0.00109 -0.00048 147 4YY -0.00039 0.00053 0.00052 0.00032 0.00016 148 4ZZ 0.00049 0.00051 -0.00123 0.00204 0.00013 149 4XY -0.00069 0.00008 0.00080 0.00000 -0.00060 150 4XZ -0.00064 0.00001 0.00047 0.00124 -0.00079 151 4YZ 0.00045 -0.00028 -0.00108 -0.00020 -0.00027 152 18 H 1S 0.00374 0.00104 0.00045 0.00559 0.00051 153 2S 0.00935 0.00523 -0.00186 0.00914 0.00123 154 19 H 1S 0.00160 -0.00109 -0.00103 -0.00629 -0.00653 155 2S 0.00505 0.00098 -0.00801 -0.00090 -0.00371 156 20 H 1S -0.00111 0.00171 -0.00124 0.01424 0.00070 157 2S -0.00626 0.00757 -0.00090 0.01824 -0.00230 158 21 H 1S -0.00805 -0.00102 -0.00060 -0.01212 -0.00232 159 2S 0.01067 -0.00203 0.00672 -0.00944 0.00804 160 22 O 1S -0.00001 -0.00021 0.00074 -0.00140 0.00066 161 2S 0.00059 0.00149 -0.00001 0.00520 -0.00116 162 2PX 0.00208 0.00085 0.00992 -0.02579 0.00457 163 2PY 0.00350 0.00314 -0.00004 0.00375 0.01138 164 2PZ 0.00420 0.00132 -0.00776 0.01643 0.00984 165 3S -0.00133 -0.00365 -0.01229 0.00764 -0.00274 166 3PX 0.00212 0.00073 0.01197 -0.02367 0.00319 167 3PY 0.00402 0.00359 0.00176 0.00329 0.00885 168 3PZ 0.00351 0.00254 -0.00679 0.01702 0.00549 169 4XX 0.00086 0.00007 0.00102 -0.00092 0.00070 170 4YY -0.00015 0.00010 0.00069 -0.00005 -0.00042 171 4ZZ -0.00014 0.00042 -0.00005 0.00064 -0.00017 172 4XY -0.00017 0.00007 -0.00049 0.00066 -0.00030 173 4XZ -0.00017 0.00007 -0.00004 0.00026 -0.00021 174 4YZ 0.00007 -0.00019 -0.00002 -0.00011 -0.00039 175 23 O 1S 0.00448 -0.00124 -0.00165 0.00837 0.00231 176 2S -0.00961 0.00340 0.00099 -0.01855 -0.00415 177 2PX 0.01821 -0.00614 -0.00593 0.01250 0.01346 178 2PY 0.00506 -0.00452 0.00074 0.03111 0.01810 179 2PZ -0.02211 0.00844 -0.00282 -0.02062 -0.03043 180 3S -0.02702 0.00435 0.01800 -0.02748 -0.01421 181 3PX 0.01208 -0.00447 -0.00653 0.00875 0.01046 182 3PY -0.00199 -0.00335 0.00534 0.01881 0.00959 183 3PZ -0.01266 0.00584 -0.00685 -0.01344 -0.01984 184 4XX -0.00018 0.00039 0.00000 -0.00045 -0.00034 185 4YY -0.00023 -0.00003 -0.00064 0.00149 0.00081 186 4ZZ 0.00142 -0.00010 -0.00159 -0.00030 0.00048 187 4XY 0.00078 -0.00045 -0.00066 0.00034 0.00029 188 4XZ -0.00179 0.00033 0.00045 -0.00070 -0.00073 189 4YZ -0.00146 0.00046 -0.00005 -0.00142 -0.00148 76 77 78 79 80 76 3PY 0.08588 77 3PZ -0.00766 0.09074 78 4XX -0.00456 0.00529 0.00113 79 4YY 0.00601 -0.00086 -0.00033 0.00121 80 4ZZ -0.00318 -0.00239 -0.00017 -0.00033 0.00105 81 4XY -0.00004 -0.00023 -0.00040 0.00003 0.00038 82 4XZ 0.00025 -0.00508 0.00023 0.00007 -0.00033 83 4YZ 0.00092 -0.00612 -0.00042 0.00025 0.00018 84 10 H 1S -0.04180 0.08296 0.00243 -0.00576 0.00363 85 2S -0.03400 0.07122 0.00131 -0.00434 0.00446 86 11 H 1S -0.04140 0.03912 0.01149 -0.00486 -0.00663 87 2S -0.02999 0.02563 0.01044 -0.00282 -0.00648 88 12 C 1S -0.01397 0.00321 0.00206 -0.00682 0.00208 89 2S 0.04158 -0.00962 -0.00506 0.01180 -0.00477 90 2PX 0.00013 -0.00073 -0.00024 -0.00037 0.00063 91 2PY -0.14639 -0.00208 0.00708 -0.00827 0.00813 92 2PZ 0.01479 -0.00677 0.00043 0.00046 0.00082 93 3S 0.03364 -0.00815 -0.00420 0.01297 -0.00656 94 3PX 0.00180 -0.00276 -0.00048 -0.00018 0.00073 95 3PY -0.06475 -0.00906 0.00296 -0.00461 0.00444 96 3PZ 0.00906 -0.00863 -0.00045 0.00072 0.00072 97 4XX -0.00296 -0.00045 0.00013 -0.00014 0.00028 98 4YY 0.00461 0.00072 -0.00014 -0.00006 -0.00018 99 4ZZ -0.00444 0.00072 0.00028 -0.00018 0.00010 100 4XY -0.00021 -0.00024 -0.00031 0.00002 0.00028 101 4XZ -0.00052 0.00016 -0.00004 -0.00013 0.00008 102 4YZ 0.00009 -0.00526 -0.00030 0.00010 0.00016 103 13 H 1S -0.01271 -0.01225 0.00039 0.00276 -0.00025 104 2S -0.02122 -0.01141 0.00188 -0.00032 0.00040 105 14 H 1S -0.01812 -0.00845 -0.00095 0.00174 0.00161 106 2S -0.02464 -0.00581 -0.00070 -0.00149 0.00325 107 15 C 1S -0.00061 -0.00086 -0.00002 0.00007 -0.00007 108 2S 0.00100 0.00004 -0.00013 -0.00026 0.00031 109 2PX -0.00028 -0.00164 -0.00008 0.00029 -0.00045 110 2PY -0.00102 0.00025 0.00010 -0.00006 -0.00004 111 2PZ 0.00548 0.00069 -0.00011 0.00016 0.00025 112 3S 0.00052 0.00040 -0.00031 -0.00036 0.00070 113 3PX -0.00296 0.00092 -0.00023 -0.00004 0.00033 114 3PY -0.00061 0.00171 -0.00022 -0.00001 0.00011 115 3PZ 0.00459 -0.00645 -0.00043 0.00024 -0.00014 116 4XX 0.00041 -0.00132 0.00004 0.00000 -0.00014 117 4YY 0.00036 -0.00059 -0.00002 0.00003 -0.00003 118 4ZZ -0.00068 0.00184 -0.00001 -0.00002 0.00014 119 4XY 0.00096 -0.00079 0.00006 0.00003 -0.00009 120 4XZ -0.00017 0.00014 -0.00002 0.00000 0.00001 121 4YZ -0.00100 0.00153 -0.00005 -0.00004 0.00005 122 16 C 1S 0.00152 -0.00310 -0.00041 0.00002 -0.00071 123 2S 0.00070 0.00600 0.00046 -0.00044 0.00039 124 2PX -0.00823 -0.00175 0.00106 0.00241 -0.00460 125 2PY 0.00237 0.00097 -0.00006 0.00090 -0.00118 126 2PZ 0.00976 0.00681 -0.00135 -0.00246 0.00367 127 3S -0.00022 -0.00599 0.00009 -0.00193 0.00176 128 3PX -0.00630 -0.01038 0.00074 0.00187 -0.00344 129 3PY -0.00020 -0.00826 -0.00012 0.00015 -0.00076 130 3PZ 0.00482 -0.00124 -0.00115 -0.00175 0.00268 131 4XX -0.00103 0.00221 -0.00015 -0.00006 0.00024 132 4YY 0.00030 -0.00003 0.00004 0.00009 -0.00008 133 4ZZ 0.00096 -0.00250 0.00005 0.00005 -0.00017 134 4XY 0.00040 -0.00077 -0.00009 0.00006 0.00003 135 4XZ 0.00011 0.00054 0.00012 0.00001 -0.00016 136 4YZ -0.00086 0.00121 0.00013 -0.00004 0.00000 137 17 C 1S -0.00085 -0.00127 -0.00017 0.00005 0.00010 138 2S 0.00100 0.00195 0.00043 -0.00014 -0.00004 139 2PX 0.00750 -0.01813 -0.00142 0.00112 -0.00045 140 2PY -0.00146 -0.00012 -0.00011 -0.00098 0.00111 141 2PZ -0.01048 0.01475 0.00137 -0.00090 0.00048 142 3S -0.00214 0.02033 0.00139 0.00026 -0.00033 143 3PX 0.00969 -0.00941 -0.00147 0.00079 0.00014 144 3PY -0.00077 -0.00151 0.00037 -0.00090 0.00036 145 3PZ -0.00395 0.01530 0.00129 -0.00035 -0.00008 146 4XX -0.00025 -0.00021 0.00000 0.00006 0.00003 147 4YY 0.00050 0.00046 0.00000 -0.00001 -0.00001 148 4ZZ 0.00008 -0.00077 -0.00004 -0.00001 -0.00004 149 4XY 0.00040 0.00015 -0.00007 -0.00012 0.00024 150 4XZ 0.00020 -0.00018 -0.00003 -0.00006 0.00009 151 4YZ -0.00075 -0.00029 0.00007 0.00013 -0.00020 152 18 H 1S 0.00112 -0.00514 0.00001 0.00012 -0.00060 153 2S 0.00425 -0.01008 0.00014 0.00038 -0.00132 154 19 H 1S -0.00366 -0.00270 0.00098 0.00039 -0.00090 155 2S -0.00288 -0.00756 0.00068 0.00064 -0.00135 156 20 H 1S 0.00473 -0.00305 -0.00050 -0.00037 0.00053 157 2S 0.00674 -0.00338 -0.00091 -0.00020 0.00066 158 21 H 1S 0.00034 0.00659 0.00011 -0.00020 0.00062 159 2S -0.00285 0.01557 0.00053 -0.00023 0.00073 160 22 O 1S -0.00032 0.00120 0.00004 -0.00004 -0.00007 161 2S 0.00170 -0.00313 -0.00018 0.00000 0.00014 162 2PX 0.00796 0.00206 0.00035 0.00056 0.00002 163 2PY 0.00147 0.00662 0.00002 0.00024 -0.00066 164 2PZ -0.00790 0.00189 -0.00015 -0.00030 -0.00126 165 3S -0.00055 -0.01043 -0.00035 0.00020 -0.00016 166 3PX 0.00614 0.00362 0.00055 0.00032 0.00000 167 3PY 0.00121 0.00583 0.00000 0.00020 -0.00047 168 3PZ -0.00421 -0.00022 -0.00026 -0.00007 -0.00093 169 4XX -0.00017 0.00061 0.00007 -0.00005 -0.00002 170 4YY 0.00011 0.00010 0.00001 -0.00003 0.00003 171 4ZZ 0.00046 0.00006 -0.00005 0.00001 0.00004 172 4XY -0.00028 -0.00015 -0.00001 -0.00001 -0.00001 173 4XZ 0.00025 -0.00019 -0.00001 -0.00001 0.00001 174 4YZ 0.00016 -0.00026 0.00000 0.00005 0.00000 175 23 O 1S -0.00265 0.00095 0.00014 -0.00007 0.00013 176 2S 0.00504 -0.00118 -0.00029 0.00012 -0.00040 177 2PX -0.01906 0.02775 -0.00092 -0.00022 0.00224 178 2PY -0.00894 0.01363 0.00024 -0.00054 -0.00010 179 2PZ 0.03008 -0.04820 0.00025 0.00078 -0.00182 180 3S 0.00733 0.00314 -0.00059 0.00044 -0.00016 181 3PX -0.01350 0.01960 -0.00078 -0.00045 0.00192 182 3PY -0.00611 0.01099 0.00013 -0.00037 0.00007 183 3PZ 0.02006 -0.03600 0.00032 0.00083 -0.00189 184 4XX 0.00079 -0.00089 -0.00003 -0.00008 0.00010 185 4YY -0.00051 0.00054 -0.00002 -0.00001 0.00000 186 4ZZ -0.00047 -0.00017 0.00005 0.00006 -0.00010 187 4XY -0.00084 0.00070 -0.00005 -0.00001 0.00010 188 4XZ -0.00010 0.00054 -0.00003 0.00002 0.00001 189 4YZ 0.00138 -0.00194 0.00000 -0.00001 -0.00001 81 82 83 84 85 81 4XY 0.00096 82 4XZ -0.00054 0.00130 83 4YZ 0.00004 0.00042 0.00091 84 10 H 1S 0.00696 -0.01312 -0.00750 0.21529 85 2S 0.00698 -0.01252 -0.00651 0.17308 0.15893 86 11 H 1S -0.01023 0.00741 -0.00360 -0.02500 -0.05205 87 2S -0.00917 0.00856 -0.00244 -0.05356 -0.06141 88 12 C 1S 0.00001 -0.00011 -0.00032 0.00840 0.01010 89 2S -0.00002 0.00018 0.00030 -0.02009 -0.02085 90 2PX 0.01155 -0.00064 -0.00043 0.01884 0.03501 91 2PY 0.00033 0.00060 0.00007 0.02735 0.05263 92 2PZ -0.00029 0.00059 0.01048 -0.01614 -0.02229 93 3S 0.00016 0.00163 0.00039 -0.03336 -0.03229 94 3PX 0.00535 -0.00063 -0.00012 0.00937 0.01823 95 3PY -0.00021 0.00052 0.00009 0.01271 0.02122 96 3PZ 0.00024 0.00016 0.00526 -0.01225 -0.01141 97 4XX 0.00031 -0.00004 0.00030 0.00039 0.00188 98 4YY -0.00002 -0.00013 -0.00010 0.00276 -0.00032 99 4ZZ -0.00028 0.00008 -0.00016 -0.00025 0.00040 100 4XY 0.00089 -0.00042 -0.00003 0.00568 0.00580 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 -0.00568 0.00207 0.00549 -0.03157 -0.03521 104 2S -0.00580 0.00284 0.00499 -0.03521 -0.03751 105 14 H 1S 0.00761 -0.00092 0.00178 0.01701 0.03047 106 2S 0.00741 -0.00198 0.00143 0.03245 0.04130 107 15 C 1S -0.00013 0.00031 0.00004 -0.00112 -0.00173 108 2S 0.00022 -0.00060 -0.00002 0.00309 0.00488 109 2PX -0.00040 0.00058 0.00003 -0.00253 -0.00484 110 2PY -0.00023 0.00013 -0.00015 0.00028 0.00067 111 2PZ 0.00062 -0.00055 0.00015 0.00309 0.00346 112 3S 0.00022 -0.00098 -0.00006 0.00385 0.00721 113 3PX -0.00002 -0.00021 -0.00001 0.00343 0.00266 114 3PY 0.00030 -0.00028 -0.00003 0.00247 0.00303 115 3PZ 0.00032 -0.00007 0.00027 0.00143 -0.00121 116 4XX -0.00004 0.00008 0.00003 -0.00055 -0.00102 117 4YY -0.00002 0.00005 0.00002 -0.00024 -0.00017 118 4ZZ 0.00004 -0.00010 -0.00005 0.00048 0.00083 119 4XY 0.00003 0.00001 -0.00001 -0.00017 0.00030 120 4XZ 0.00000 -0.00002 0.00000 0.00018 0.00000 121 4YZ -0.00003 -0.00002 0.00002 0.00005 -0.00052 122 16 C 1S -0.00011 0.00080 0.00005 -0.00263 -0.00281 123 2S 0.00043 -0.00161 -0.00026 0.00805 0.01140 124 2PX -0.00026 0.00571 0.00064 -0.02530 -0.05155 125 2PY 0.00006 0.00109 0.00024 -0.00457 -0.00982 126 2PZ 0.00017 -0.00603 -0.00063 0.02413 0.05074 127 3S 0.00003 -0.00100 0.00124 -0.00338 0.00315 128 3PX -0.00086 0.00534 0.00131 -0.03165 -0.05085 129 3PY -0.00052 0.00189 0.00081 -0.01292 -0.02064 130 3PZ 0.00002 -0.00366 0.00021 0.01169 0.02778 131 4XX -0.00009 -0.00014 -0.00006 0.00042 0.00044 132 4YY 0.00002 0.00004 0.00002 -0.00006 -0.00015 133 4ZZ 0.00000 0.00017 0.00005 -0.00121 -0.00139 134 4XY 0.00001 0.00001 0.00004 -0.00009 -0.00071 135 4XZ 0.00005 -0.00002 -0.00003 0.00067 0.00051 136 4YZ 0.00000 0.00001 -0.00004 0.00002 0.00017 137 17 C 1S -0.00010 0.00018 0.00019 -0.00124 -0.00321 138 2S -0.00004 -0.00024 0.00007 0.00104 0.00341 139 2PX 0.00026 0.00165 0.00050 -0.00605 -0.02198 140 2PY -0.00047 -0.00062 -0.00021 0.00206 0.00740 141 2PZ -0.00017 -0.00135 -0.00023 0.00384 0.01342 142 3S 0.00040 -0.00187 -0.00164 0.01568 0.02780 143 3PX 0.00082 0.00007 -0.00037 0.00285 -0.00370 144 3PY -0.00055 0.00044 0.00061 -0.00665 -0.00430 145 3PZ 0.00005 -0.00093 -0.00080 0.00496 0.01380 146 4XX 0.00005 0.00004 -0.00002 -0.00012 0.00000 147 4YY 0.00002 -0.00006 0.00002 0.00033 0.00033 148 4ZZ -0.00004 0.00010 0.00001 -0.00055 -0.00111 149 4XY 0.00000 -0.00029 -0.00005 0.00128 0.00256 150 4XZ -0.00003 -0.00008 0.00005 0.00051 0.00036 151 4YZ -0.00001 0.00030 0.00005 -0.00126 -0.00282 152 18 H 1S -0.00026 0.00048 0.00011 -0.00241 -0.00501 153 2S -0.00035 0.00118 0.00027 -0.00705 -0.01208 154 19 H 1S 0.00011 0.00130 0.00010 -0.00511 -0.01065 155 2S -0.00020 0.00175 0.00041 -0.00977 -0.01718 156 20 H 1S -0.00014 -0.00044 -0.00009 0.00248 0.00447 157 2S 0.00005 -0.00083 -0.00029 0.00465 0.00591 158 21 H 1S 0.00045 -0.00073 -0.00012 0.00356 0.00648 159 2S 0.00022 -0.00062 -0.00042 0.00220 0.00730 160 22 O 1S 0.00020 -0.00011 -0.00014 0.00058 0.00121 161 2S -0.00047 0.00016 0.00015 -0.00069 -0.00104 162 2PX 0.00080 -0.00059 -0.00081 0.00313 0.01766 163 2PY -0.00022 0.00033 0.00016 -0.00275 -0.00414 164 2PZ -0.00112 0.00133 0.00077 -0.00693 -0.02058 165 3S -0.00093 0.00111 0.00109 -0.00618 -0.01248 166 3PX 0.00060 -0.00060 -0.00079 0.00336 0.01546 167 3PY -0.00006 0.00009 -0.00008 -0.00131 -0.00143 168 3PZ -0.00079 0.00109 0.00050 -0.00539 -0.01641 169 4XX -0.00004 -0.00003 -0.00003 0.00001 0.00042 170 4YY 0.00000 -0.00006 -0.00005 0.00039 0.00062 171 4ZZ 0.00004 -0.00004 -0.00005 0.00029 0.00048 172 4XY -0.00002 0.00002 0.00005 -0.00021 -0.00079 173 4XZ -0.00005 -0.00001 0.00001 -0.00001 -0.00008 174 4YZ 0.00005 0.00002 -0.00001 -0.00001 0.00007 175 23 O 1S -0.00014 0.00013 0.00001 -0.00177 -0.00270 176 2S 0.00034 -0.00031 0.00010 0.00218 0.00417 177 2PX -0.00076 0.00009 -0.00011 -0.00116 -0.00434 178 2PY -0.00014 -0.00041 -0.00023 0.00041 -0.00207 179 2PZ 0.00109 0.00039 0.00069 -0.00143 0.00442 180 3S 0.00080 -0.00116 -0.00073 0.01642 0.01705 181 3PX -0.00051 -0.00035 0.00011 -0.00081 -0.00079 182 3PY 0.00004 -0.00063 -0.00034 0.00446 0.00282 183 3PZ 0.00072 0.00109 0.00072 -0.00561 -0.00445 184 4XX 0.00001 -0.00016 0.00002 0.00021 0.00130 185 4YY 0.00003 0.00000 0.00004 -0.00032 -0.00042 186 4ZZ -0.00003 0.00024 0.00005 -0.00157 -0.00217 187 4XY -0.00004 0.00003 0.00002 -0.00023 -0.00037 188 4XZ 0.00007 -0.00005 -0.00001 0.00065 0.00047 189 4YZ 0.00006 -0.00007 0.00002 0.00028 0.00097 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.16994 0.16629 88 12 C 1S 0.00761 0.00792 2.05092 89 2S -0.01999 -0.01756 -0.05341 0.30682 90 2PX -0.02272 -0.04407 -0.00090 0.00094 0.41187 91 2PY 0.02939 0.05181 -0.00199 0.00122 0.00499 92 2PZ -0.00278 -0.00222 -0.00339 0.00249 -0.00313 93 3S -0.01940 -0.00379 -0.18587 0.27976 -0.00647 94 3PX -0.01473 -0.02328 -0.00226 0.00385 0.18595 95 3PY 0.01812 0.02464 0.00044 0.00253 -0.00076 96 3PZ -0.00845 -0.00581 -0.00163 0.00937 0.00744 97 4XX -0.00095 -0.00070 -0.01787 0.00019 0.01072 98 4YY 0.00174 -0.00149 -0.01551 -0.00514 0.00056 99 4ZZ 0.00161 0.00325 -0.01630 -0.00351 -0.01053 100 4XY -0.00761 -0.00741 -0.00056 0.00106 0.01582 101 4XZ -0.00092 -0.00198 0.00050 -0.00110 0.01494 102 4YZ -0.00178 -0.00143 -0.00140 0.00268 0.00003 103 13 H 1S 0.01701 0.03245 -0.05287 0.10196 -0.18021 104 2S 0.03047 0.04130 -0.00700 0.02105 -0.16491 105 14 H 1S -0.02780 -0.03452 -0.05306 0.10305 0.24407 106 2S -0.03452 -0.04557 -0.00470 0.02007 0.21325 107 15 C 1S 0.00189 0.00272 -0.00065 0.00137 0.00329 108 2S -0.00551 -0.00661 0.00156 -0.00373 -0.00908 109 2PX 0.00398 0.00748 -0.00190 0.00417 0.00788 110 2PY 0.00120 0.00477 -0.00001 -0.00041 -0.00185 111 2PZ -0.00844 -0.00091 0.00281 -0.00423 -0.01835 112 3S -0.00814 -0.01073 0.00356 -0.00478 -0.01119 113 3PX -0.00445 -0.00291 0.00052 -0.00167 -0.00734 114 3PY -0.00432 -0.00731 -0.00086 0.00110 0.00496 115 3PZ -0.00992 0.00070 0.00190 -0.00207 -0.01921 116 4XX 0.00060 0.00160 -0.00032 0.00025 0.00064 117 4YY 0.00010 0.00113 -0.00006 0.00027 0.00022 118 4ZZ -0.00050 -0.00256 0.00026 -0.00041 -0.00038 119 4XY 0.00027 0.00147 -0.00015 0.00060 0.00009 120 4XZ -0.00039 -0.00094 0.00001 -0.00004 -0.00050 121 4YZ -0.00016 -0.00313 0.00031 -0.00062 -0.00027 122 16 C 1S 0.00211 0.00286 -0.00135 0.00331 0.00010 123 2S -0.00547 -0.00626 0.00251 -0.00446 -0.00034 124 2PX 0.01758 0.01629 -0.00749 0.01643 -0.00553 125 2PY 0.00282 0.00554 -0.00026 0.00225 -0.00294 126 2PZ -0.01903 -0.03806 0.00676 -0.01383 0.00340 127 3S -0.00477 -0.01425 0.00525 -0.02179 -0.00053 128 3PX 0.02014 0.02387 -0.00501 0.00780 -0.01195 129 3PY 0.00650 0.00532 -0.00098 -0.00160 -0.00919 130 3PZ -0.01303 -0.02557 0.00473 -0.01516 0.00205 131 4XX -0.00031 -0.00458 0.00003 0.00002 -0.00010 132 4YY 0.00002 0.00153 -0.00008 0.00002 -0.00039 133 4ZZ 0.00078 0.00305 -0.00049 0.00104 0.00049 134 4XY -0.00019 -0.00010 -0.00020 0.00069 0.00069 135 4XZ -0.00020 0.00037 0.00000 -0.00019 -0.00064 136 4YZ 0.00044 -0.00013 0.00011 -0.00086 -0.00045 137 17 C 1S 0.00009 -0.00157 -0.00160 0.00237 0.00275 138 2S 0.00017 0.00337 0.00232 -0.00724 -0.00839 139 2PX -0.00264 0.00526 -0.00601 0.01600 0.01449 140 2PY 0.00031 -0.00815 0.00138 -0.00411 -0.00285 141 2PZ 0.00231 -0.00187 0.00522 -0.01807 -0.01389 142 3S 0.00045 0.00730 0.00606 -0.00124 -0.00167 143 3PX -0.00973 -0.00637 -0.00470 0.01725 0.02393 144 3PY 0.00532 -0.00234 0.00098 -0.01047 -0.00749 145 3PZ 0.00139 0.00014 0.00664 -0.00698 -0.00779 146 4XX 0.00007 0.00073 -0.00063 0.00056 0.00092 147 4YY -0.00031 -0.00071 0.00003 -0.00028 -0.00017 148 4ZZ 0.00031 0.00002 -0.00062 0.00051 0.00050 149 4XY -0.00088 -0.00118 0.00037 -0.00055 0.00007 150 4XZ -0.00045 -0.00037 0.00066 -0.00101 -0.00114 151 4YZ 0.00090 0.00185 -0.00023 0.00046 -0.00049 152 18 H 1S 0.00266 0.00726 -0.00148 0.00243 0.00374 153 2S 0.00703 0.01618 -0.00291 0.00564 0.00935 154 19 H 1S 0.00507 0.01532 -0.00132 0.00099 -0.00111 155 2S 0.00721 0.01712 -0.00232 0.00125 -0.00626 156 20 H 1S -0.00257 -0.00622 0.00045 0.00109 0.00160 157 2S -0.00697 -0.01089 0.00048 0.00573 0.00505 158 21 H 1S -0.00402 -0.00757 0.00270 -0.00473 -0.00805 159 2S 0.00596 -0.00843 -0.00010 -0.00130 0.01067 160 22 O 1S -0.00029 -0.00186 -0.00055 0.00098 0.00448 161 2S 0.00059 0.00406 0.00228 -0.00251 -0.00961 162 2PX -0.00035 0.00767 -0.00379 0.01216 0.01821 163 2PY 0.00238 -0.00836 0.00114 0.00118 -0.00506 164 2PZ 0.00407 -0.00690 0.00311 -0.00876 -0.02211 165 3S 0.00245 0.01129 -0.00116 -0.00487 -0.02702 166 3PX 0.00061 0.00768 -0.00096 0.00699 0.01208 167 3PY 0.00185 -0.00727 0.00086 0.00248 0.00199 168 3PZ 0.00296 -0.00400 0.00116 -0.00346 -0.01266 169 4XX 0.00050 0.00018 0.00046 -0.00072 -0.00018 170 4YY -0.00015 0.00006 0.00040 -0.00042 -0.00023 171 4ZZ -0.00026 -0.00050 0.00021 0.00056 0.00142 172 4XY -0.00004 -0.00018 0.00008 -0.00060 -0.00078 173 4XZ -0.00001 0.00031 0.00030 -0.00048 -0.00179 174 4YZ 0.00004 0.00058 -0.00031 0.00067 0.00146 175 23 O 1S 0.00248 -0.00390 0.00035 -0.00090 -0.00001 176 2S -0.00571 0.00520 -0.00036 0.00121 0.00059 177 2PX 0.00293 -0.03405 0.00404 -0.00894 0.00208 178 2PY 0.00146 -0.03726 0.00108 -0.00204 -0.00350 179 2PZ -0.00480 0.06462 -0.00486 0.01105 0.00420 180 3S -0.01334 0.00935 -0.00302 0.00783 -0.00133 181 3PX -0.00015 -0.02980 0.00391 -0.00956 0.00212 182 3PY -0.00175 -0.02634 0.00036 -0.00118 -0.00402 183 3PZ -0.00079 0.04875 -0.00479 0.00936 0.00351 184 4XX -0.00054 0.00006 0.00039 -0.00038 0.00086 185 4YY -0.00055 -0.00276 0.00020 -0.00039 -0.00015 186 4ZZ 0.00098 0.00098 0.00013 0.00006 -0.00014 187 4XY 0.00014 -0.00087 0.00012 -0.00032 0.00017 188 4XZ -0.00117 -0.00114 -0.00004 0.00003 -0.00017 189 4YZ -0.00064 0.00220 -0.00012 0.00006 -0.00007 91 92 93 94 95 91 2PY 0.38124 92 2PZ 0.00574 0.38896 93 3S -0.00793 -0.02478 0.30210 94 3PX 0.00355 0.00071 -0.00137 0.08585 95 3PY 0.17352 0.00966 -0.00729 0.00186 0.08588 96 3PZ 0.00608 0.17988 -0.00699 0.00654 0.00766 97 4XX 0.01029 0.01115 -0.00035 0.00492 0.00456 98 4YY -0.01508 -0.00103 -0.00513 0.00020 -0.00601 99 4ZZ 0.00819 -0.00580 -0.00015 -0.00477 0.00318 100 4XY 0.00029 -0.00039 0.00117 0.00724 -0.00004 101 4XZ 0.00053 -0.01187 -0.00235 0.00665 -0.00025 102 4YZ 0.00068 0.01284 0.00250 0.00016 0.00092 103 13 H 1S 0.08045 0.17921 0.09108 -0.07906 0.04180 104 2S 0.06622 0.15935 0.01901 -0.07320 0.03400 105 14 H 1S 0.09284 0.06748 0.08095 0.11188 0.04140 106 2S 0.07583 0.05573 -0.00680 0.09433 0.02999 107 15 C 1S 0.00005 0.00042 0.00215 0.00092 0.00061 108 2S 0.00032 -0.00083 -0.00212 -0.00275 -0.00100 109 2PX -0.00096 0.00238 0.00324 0.00254 0.00028 110 2PY 0.00005 -0.00246 0.00568 -0.00021 -0.00102 111 2PZ -0.00433 -0.00495 -0.01753 -0.00968 -0.00548 112 3S -0.00019 -0.00241 -0.00295 -0.00371 -0.00052 113 3PX 0.00476 0.00093 -0.00221 -0.00299 0.00296 114 3PY 0.00071 -0.00067 0.00041 -0.00015 -0.00061 115 3PZ -0.00415 -0.00710 -0.00572 -0.01057 -0.00459 116 4XX -0.00036 0.00001 0.00118 -0.00002 -0.00041 117 4YY -0.00026 -0.00012 -0.00037 -0.00006 -0.00036 118 4ZZ 0.00035 -0.00005 -0.00068 0.00030 0.00068 119 4XY 0.00014 -0.00029 0.00087 0.00002 0.00095 120 4XZ -0.00006 0.00002 0.00079 -0.00006 0.00017 121 4YZ -0.00019 0.00046 -0.00190 -0.00109 -0.00100 122 16 C 1S -0.00131 -0.00447 0.00485 -0.00199 0.00085 123 2S 0.00181 0.00621 -0.00903 0.00102 -0.00100 124 2PX -0.00836 -0.02316 0.04192 -0.01623 -0.00750 125 2PY -0.00296 0.00042 -0.00883 -0.00246 -0.00146 126 2PZ 0.00670 0.01780 -0.03612 0.00601 0.01048 127 3S 0.00380 0.04389 -0.04200 0.00318 0.00214 128 3PX -0.01242 -0.01016 0.02839 -0.01262 -0.00969 129 3PY -0.00419 0.00923 -0.00535 -0.00702 -0.00077 130 3PZ 0.00047 0.02307 -0.03138 0.00618 0.00395 131 4XX 0.00020 -0.00037 -0.00109 -0.00048 0.00025 132 4YY -0.00053 0.00052 0.00032 0.00016 -0.00050 133 4ZZ -0.00051 -0.00123 0.00204 0.00013 -0.00008 134 4XY 0.00008 -0.00080 0.00000 0.00060 0.00040 135 4XZ -0.00001 0.00047 0.00124 -0.00079 -0.00020 136 4YZ -0.00028 0.00108 0.00020 0.00027 -0.00075 137 17 C 1S -0.00037 -0.00219 0.00255 0.00447 -0.00152 138 2S -0.00112 0.01167 -0.00748 -0.00430 -0.00070 139 2PX -0.00147 -0.01969 0.01136 0.01166 0.00823 140 2PY 0.00184 0.00129 0.00173 -0.00523 0.00237 141 2PZ -0.00169 0.01865 -0.00089 0.00415 -0.00976 142 3S 0.00813 -0.01872 0.00821 -0.00074 0.00022 143 3PX -0.00042 -0.03174 0.00614 0.01151 0.00630 144 3PY -0.00131 0.02065 -0.01295 -0.00524 -0.00020 145 3PZ 0.00013 0.00120 0.00619 -0.00038 -0.00482 146 4XX -0.00003 -0.00036 0.00265 0.00163 0.00103 147 4YY -0.00039 0.00086 -0.00173 -0.00055 -0.00030 148 4ZZ -0.00048 -0.00154 0.00032 -0.00056 -0.00096 149 4XY 0.00037 0.00068 -0.00252 0.00074 0.00040 150 4XZ -0.00007 0.00209 -0.00127 -0.00019 -0.00011 151 4YZ -0.00025 -0.00104 0.00140 -0.00029 -0.00086 152 18 H 1S -0.00104 0.00045 0.00559 0.00051 -0.00112 153 2S -0.00523 -0.00186 0.00914 0.00123 -0.00425 154 19 H 1S -0.00171 -0.00124 0.01424 0.00070 -0.00473 155 2S -0.00757 -0.00090 0.01824 -0.00230 -0.00674 156 20 H 1S 0.00109 -0.00103 -0.00629 -0.00653 0.00366 157 2S -0.00098 -0.00801 -0.00090 -0.00371 0.00288 158 21 H 1S 0.00102 -0.00060 -0.01212 -0.00232 -0.00035 159 2S 0.00203 0.00672 -0.00944 0.00804 0.00285 160 22 O 1S 0.00124 -0.00164 0.00837 0.00231 0.00265 161 2S -0.00340 0.00099 -0.01855 -0.00415 -0.00504 162 2PX 0.00614 -0.00593 0.01250 0.01346 0.01906 163 2PY -0.00451 -0.00074 -0.03111 -0.01810 -0.00894 164 2PZ -0.00844 -0.00282 -0.02062 -0.03043 -0.03008 165 3S -0.00435 0.01800 -0.02748 -0.01421 -0.00734 166 3PX 0.00447 -0.00653 0.00875 0.01046 0.01350 167 3PY -0.00334 -0.00534 -0.01881 -0.00959 -0.00611 168 3PZ -0.00584 -0.00685 -0.01344 -0.01984 -0.02006 169 4XX -0.00039 0.00000 -0.00045 -0.00034 -0.00079 170 4YY 0.00003 -0.00064 0.00149 0.00081 0.00051 171 4ZZ 0.00010 -0.00159 -0.00030 0.00048 0.00047 172 4XY -0.00045 0.00066 -0.00034 -0.00029 -0.00084 173 4XZ -0.00033 0.00045 -0.00070 -0.00073 0.00010 174 4YZ 0.00046 0.00005 0.00142 0.00148 0.00138 175 23 O 1S 0.00021 0.00074 -0.00140 0.00066 0.00032 176 2S -0.00149 -0.00001 0.00520 -0.00116 -0.00170 177 2PX -0.00085 0.00992 -0.02579 0.00457 -0.00796 178 2PY 0.00314 0.00004 -0.00375 -0.01138 0.00147 179 2PZ -0.00132 -0.00776 0.01643 0.00984 0.00790 180 3S 0.00365 -0.01229 0.00764 -0.00274 0.00055 181 3PX -0.00074 0.01197 -0.02367 0.00319 -0.00614 182 3PY 0.00359 -0.00176 -0.00329 -0.00885 0.00121 183 3PZ -0.00254 -0.00679 0.01702 0.00549 0.00421 184 4XX -0.00007 0.00102 -0.00092 0.00070 0.00017 185 4YY -0.00010 0.00069 -0.00005 -0.00042 -0.00011 186 4ZZ -0.00042 -0.00005 0.00064 -0.00017 -0.00046 187 4XY 0.00007 0.00049 -0.00066 0.00030 -0.00028 188 4XZ -0.00007 -0.00004 0.00026 -0.00021 -0.00025 189 4YZ -0.00019 0.00002 0.00011 0.00039 0.00016 96 97 98 99 100 96 3PZ 0.09074 97 4XX 0.00529 0.00113 98 4YY -0.00086 -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 -0.00508 0.00023 0.00007 -0.00033 0.00054 102 4YZ 0.00612 0.00042 -0.00025 -0.00018 0.00004 103 13 H 1S 0.08297 0.00243 -0.00576 0.00363 -0.00695 104 2S 0.07122 0.00131 -0.00434 0.00446 -0.00698 105 14 H 1S 0.03912 0.01149 -0.00486 -0.00663 0.01023 106 2S 0.02564 0.01044 -0.00282 -0.00648 0.00917 107 15 C 1S -0.00086 -0.00002 0.00007 -0.00007 0.00013 108 2S 0.00004 -0.00013 -0.00026 0.00031 -0.00022 109 2PX -0.00164 -0.00008 0.00029 -0.00045 0.00040 110 2PY -0.00025 -0.00010 0.00006 0.00004 -0.00023 111 2PZ 0.00069 -0.00011 0.00016 0.00025 -0.00062 112 3S 0.00040 -0.00031 -0.00036 0.00070 -0.00022 113 3PX 0.00092 -0.00023 -0.00004 0.00033 0.00002 114 3PY -0.00171 0.00022 0.00001 -0.00011 0.00030 115 3PZ -0.00645 -0.00043 0.00024 -0.00014 -0.00032 116 4XX -0.00132 0.00004 0.00000 -0.00014 0.00004 117 4YY -0.00059 -0.00002 0.00003 -0.00003 0.00002 118 4ZZ 0.00184 -0.00001 -0.00002 0.00014 -0.00004 119 4XY 0.00079 -0.00006 -0.00003 0.00009 0.00003 120 4XZ 0.00014 -0.00002 0.00000 0.00001 0.00000 121 4YZ -0.00153 0.00005 0.00004 -0.00005 -0.00003 122 16 C 1S -0.00127 -0.00017 0.00005 0.00010 0.00010 123 2S 0.00195 0.00043 -0.00014 -0.00004 0.00004 124 2PX -0.01813 -0.00142 0.00112 -0.00045 -0.00026 125 2PY 0.00012 0.00011 0.00098 -0.00111 -0.00047 126 2PZ 0.01475 0.00137 -0.00090 0.00048 0.00017 127 3S 0.02033 0.00139 0.00026 -0.00033 -0.00040 128 3PX -0.00941 -0.00147 0.00079 0.00014 -0.00082 129 3PY 0.00151 -0.00037 0.00090 -0.00036 -0.00055 130 3PZ 0.01530 0.00129 -0.00035 -0.00008 -0.00005 131 4XX -0.00021 0.00000 0.00006 0.00003 -0.00005 132 4YY 0.00046 0.00000 -0.00001 -0.00001 -0.00002 133 4ZZ -0.00077 -0.00004 -0.00001 -0.00004 0.00004 134 4XY -0.00015 0.00007 0.00012 -0.00024 0.00000 135 4XZ -0.00018 -0.00003 -0.00006 0.00009 0.00003 136 4YZ 0.00029 -0.00007 -0.00013 0.00020 -0.00001 137 17 C 1S -0.00310 -0.00041 0.00002 -0.00071 0.00011 138 2S 0.00600 0.00046 -0.00044 0.00039 -0.00043 139 2PX -0.00175 0.00106 0.00241 -0.00460 0.00026 140 2PY -0.00097 0.00006 -0.00090 0.00118 0.00006 141 2PZ 0.00681 -0.00135 -0.00246 0.00367 -0.00017 142 3S -0.00599 0.00009 -0.00193 0.00176 -0.00003 143 3PX -0.01038 0.00074 0.00187 -0.00344 0.00086 144 3PY 0.00826 0.00012 -0.00015 0.00076 -0.00052 145 3PZ -0.00124 -0.00115 -0.00175 0.00268 -0.00002 146 4XX 0.00221 -0.00015 -0.00006 0.00024 0.00009 147 4YY -0.00003 0.00004 0.00009 -0.00008 -0.00002 148 4ZZ -0.00250 0.00005 0.00005 -0.00017 0.00000 149 4XY 0.00077 0.00009 -0.00006 -0.00003 0.00001 150 4XZ 0.00054 0.00012 0.00001 -0.00016 -0.00005 151 4YZ -0.00121 -0.00013 0.00004 0.00000 0.00000 152 18 H 1S -0.00514 0.00001 0.00012 -0.00060 0.00026 153 2S -0.01008 0.00014 0.00038 -0.00132 0.00035 154 19 H 1S -0.00305 -0.00050 -0.00037 0.00053 0.00014 155 2S -0.00338 -0.00091 -0.00020 0.00066 -0.00005 156 20 H 1S -0.00270 0.00098 0.00039 -0.00090 -0.00011 157 2S -0.00756 0.00068 0.00064 -0.00135 0.00020 158 21 H 1S 0.00659 0.00011 -0.00020 0.00062 -0.00045 159 2S 0.01557 0.00053 -0.00023 0.00073 -0.00022 160 22 O 1S 0.00095 0.00014 -0.00007 0.00013 0.00014 161 2S -0.00118 -0.00029 0.00012 -0.00040 -0.00034 162 2PX 0.02775 -0.00092 -0.00022 0.00224 0.00076 163 2PY -0.01363 -0.00024 0.00054 0.00010 -0.00014 164 2PZ -0.04820 0.00025 0.00078 -0.00182 -0.00109 165 3S 0.00314 -0.00059 0.00044 -0.00016 -0.00080 166 3PX 0.01960 -0.00078 -0.00045 0.00192 0.00051 167 3PY -0.01099 -0.00013 0.00037 -0.00007 0.00004 168 3PZ -0.03601 0.00032 0.00083 -0.00189 -0.00072 169 4XX -0.00089 -0.00003 -0.00008 0.00010 -0.00001 170 4YY 0.00054 -0.00002 -0.00001 0.00000 -0.00003 171 4ZZ -0.00017 0.00005 0.00006 -0.00010 0.00003 172 4XY -0.00070 0.00005 0.00001 -0.00010 -0.00004 173 4XZ 0.00054 -0.00003 0.00002 0.00001 -0.00007 174 4YZ 0.00194 0.00000 0.00001 0.00001 0.00006 175 23 O 1S 0.00120 0.00004 -0.00004 -0.00007 -0.00020 176 2S -0.00313 -0.00018 0.00000 0.00014 0.00047 177 2PX 0.00206 0.00035 0.00056 0.00002 -0.00080 178 2PY -0.00662 -0.00002 -0.00024 0.00066 -0.00022 179 2PZ 0.00189 -0.00015 -0.00030 -0.00126 0.00112 180 3S -0.01043 -0.00035 0.00020 -0.00016 0.00093 181 3PX 0.00362 0.00055 0.00032 0.00000 -0.00060 182 3PY -0.00583 0.00000 -0.00020 0.00047 -0.00006 183 3PZ -0.00022 -0.00026 -0.00007 -0.00093 0.00079 184 4XX 0.00061 0.00007 -0.00005 -0.00002 0.00004 185 4YY 0.00010 0.00001 -0.00003 0.00003 0.00000 186 4ZZ 0.00006 -0.00005 0.00001 0.00004 -0.00004 187 4XY 0.00015 0.00001 0.00001 0.00001 -0.00002 188 4XZ -0.00019 -0.00001 -0.00001 0.00001 0.00005 189 4YZ 0.00026 0.00000 -0.00005 0.00000 0.00005 101 102 103 104 105 101 4XZ 0.00130 102 4YZ -0.00042 0.00091 103 13 H 1S -0.01312 0.00750 0.21529 104 2S -0.01252 0.00651 0.17308 0.15893 105 14 H 1S 0.00741 0.00360 -0.02500 -0.05205 0.21593 106 2S 0.00856 0.00244 -0.05356 -0.06141 0.16994 107 15 C 1S 0.00031 -0.00004 -0.00112 -0.00173 0.00189 108 2S -0.00060 0.00002 0.00309 0.00488 -0.00551 109 2PX 0.00058 -0.00003 -0.00253 -0.00484 0.00398 110 2PY -0.00013 -0.00015 -0.00028 -0.00067 -0.00120 111 2PZ -0.00055 -0.00015 0.00309 0.00346 -0.00844 112 3S -0.00098 0.00006 0.00385 0.00721 -0.00814 113 3PX -0.00021 0.00001 0.00343 0.00266 -0.00445 114 3PY 0.00028 -0.00003 -0.00247 -0.00303 0.00432 115 3PZ -0.00007 -0.00027 0.00143 -0.00121 -0.00992 116 4XX 0.00008 -0.00003 -0.00055 -0.00102 0.00060 117 4YY 0.00005 -0.00002 -0.00024 -0.00017 0.00010 118 4ZZ -0.00010 0.00005 0.00048 0.00083 -0.00050 119 4XY -0.00001 -0.00001 0.00017 -0.00030 -0.00027 120 4XZ -0.00002 0.00000 0.00018 0.00000 -0.00039 121 4YZ 0.00002 0.00002 -0.00005 0.00052 0.00016 122 16 C 1S 0.00018 -0.00019 -0.00124 -0.00321 0.00009 123 2S -0.00024 -0.00007 0.00104 0.00341 0.00017 124 2PX 0.00165 -0.00050 -0.00605 -0.02198 -0.00264 125 2PY 0.00062 -0.00021 -0.00206 -0.00740 -0.00031 126 2PZ -0.00135 0.00023 0.00384 0.01342 0.00231 127 3S -0.00187 0.00164 0.01568 0.02780 0.00045 128 3PX 0.00007 0.00037 0.00285 -0.00370 -0.00973 129 3PY -0.00044 0.00061 0.00665 0.00430 -0.00532 130 3PZ -0.00093 0.00080 0.00496 0.01380 0.00139 131 4XX 0.00004 0.00002 -0.00012 0.00000 0.00007 132 4YY -0.00006 -0.00002 0.00033 0.00033 -0.00031 133 4ZZ 0.00010 -0.00001 -0.00055 -0.00111 0.00031 134 4XY 0.00029 -0.00005 -0.00128 -0.00256 0.00088 135 4XZ -0.00008 -0.00005 0.00051 0.00036 -0.00045 136 4YZ -0.00030 0.00005 0.00126 0.00282 -0.00090 137 17 C 1S 0.00080 -0.00005 -0.00263 -0.00281 0.00211 138 2S -0.00161 0.00026 0.00805 0.01140 -0.00547 139 2PX 0.00571 -0.00064 -0.02530 -0.05155 0.01758 140 2PY -0.00109 0.00024 0.00457 0.00981 -0.00282 141 2PZ -0.00603 0.00063 0.02413 0.05074 -0.01903 142 3S -0.00100 -0.00124 -0.00338 0.00315 -0.00477 143 3PX 0.00534 -0.00131 -0.03165 -0.05085 0.02014 144 3PY -0.00189 0.00081 0.01292 0.02064 -0.00650 145 3PZ -0.00366 -0.00021 0.01169 0.02778 -0.01303 146 4XX -0.00014 0.00006 0.00042 0.00044 -0.00031 147 4YY 0.00004 -0.00002 -0.00006 -0.00015 0.00002 148 4ZZ 0.00017 -0.00005 -0.00121 -0.00139 0.00078 149 4XY -0.00001 0.00004 0.00009 0.00071 0.00019 150 4XZ -0.00002 0.00003 0.00067 0.00051 -0.00020 151 4YZ -0.00001 -0.00004 -0.00002 -0.00017 -0.00044 152 18 H 1S 0.00048 -0.00011 -0.00241 -0.00501 0.00266 153 2S 0.00118 -0.00027 -0.00705 -0.01208 0.00703 154 19 H 1S -0.00044 0.00009 0.00248 0.00447 -0.00257 155 2S -0.00083 0.00029 0.00465 0.00591 -0.00697 156 20 H 1S 0.00130 -0.00010 -0.00511 -0.01065 0.00507 157 2S 0.00175 -0.00041 -0.00977 -0.01718 0.00721 158 21 H 1S -0.00073 0.00012 0.00356 0.00648 -0.00402 159 2S -0.00062 0.00042 0.00220 0.00730 0.00596 160 22 O 1S 0.00013 -0.00001 -0.00177 -0.00270 0.00248 161 2S -0.00031 -0.00010 0.00218 0.00417 -0.00571 162 2PX 0.00009 0.00011 -0.00116 -0.00434 0.00293 163 2PY 0.00041 -0.00023 -0.00040 0.00207 -0.00146 164 2PZ 0.00039 -0.00069 -0.00143 0.00442 -0.00480 165 3S -0.00116 0.00073 0.01642 0.01705 -0.01334 166 3PX -0.00035 -0.00011 -0.00081 -0.00079 -0.00015 167 3PY 0.00063 -0.00034 -0.00446 -0.00282 0.00175 168 3PZ 0.00109 -0.00072 -0.00561 -0.00445 -0.00079 169 4XX -0.00016 -0.00002 0.00021 0.00130 -0.00054 170 4YY 0.00000 -0.00004 -0.00032 -0.00042 -0.00055 171 4ZZ 0.00024 -0.00005 -0.00157 -0.00217 0.00098 172 4XY -0.00003 0.00002 0.00023 0.00037 -0.00014 173 4XZ -0.00005 0.00001 0.00065 0.00047 -0.00117 174 4YZ 0.00007 0.00002 -0.00028 -0.00097 0.00064 175 23 O 1S -0.00011 0.00014 0.00058 0.00121 -0.00029 176 2S 0.00016 -0.00015 -0.00069 -0.00104 0.00059 177 2PX -0.00059 0.00081 0.00313 0.01766 -0.00035 178 2PY -0.00033 0.00016 0.00275 0.00414 -0.00238 179 2PZ 0.00133 -0.00077 -0.00693 -0.02058 0.00407 180 3S 0.00111 -0.00109 -0.00618 -0.01248 0.00245 181 3PX -0.00060 0.00079 0.00336 0.01546 0.00061 182 3PY -0.00009 -0.00008 0.00131 0.00143 -0.00185 183 3PZ 0.00109 -0.00050 -0.00539 -0.01641 0.00296 184 4XX -0.00003 0.00003 0.00001 0.00042 0.00050 185 4YY -0.00006 0.00005 0.00039 0.00062 -0.00015 186 4ZZ -0.00004 0.00005 0.00029 0.00048 -0.00026 187 4XY -0.00002 0.00005 0.00021 0.00079 0.00004 188 4XZ -0.00001 -0.00001 -0.00001 -0.00008 -0.00001 189 4YZ -0.00002 -0.00001 0.00001 -0.00007 -0.00004 106 107 108 109 110 106 2S 0.16629 107 15 C 1S 0.00272 2.04980 108 2S -0.00661 -0.06512 0.34291 109 2PX 0.00748 -0.01454 0.02587 0.42805 110 2PY -0.00477 0.00000 0.00000 0.00000 0.29269 111 2PZ -0.00091 -0.01514 0.02464 -0.04321 0.00000 112 3S -0.01073 -0.14988 0.26010 0.04455 0.00000 113 3PX -0.00291 -0.00856 0.01867 0.15540 0.00000 114 3PY 0.00731 0.00000 0.00000 0.00000 0.07096 115 3PZ 0.00070 -0.01236 0.02305 -0.00828 0.00000 116 4XX 0.00160 -0.01782 0.00026 0.02407 0.00000 117 4YY 0.00113 -0.01312 -0.01025 -0.01562 0.00000 118 4ZZ -0.00256 -0.01764 -0.00043 -0.01022 0.00000 119 4XY -0.00147 0.00000 0.00000 0.00000 -0.02088 120 4XZ -0.00094 0.00060 -0.00098 -0.01140 0.00000 121 4YZ 0.00313 0.00000 0.00000 0.00000 -0.02050 122 16 C 1S -0.00157 -0.00316 0.00672 -0.01114 -0.00217 123 2S 0.00337 0.00630 -0.01756 0.02806 0.00474 124 2PX 0.00526 0.00913 -0.02190 0.02079 0.03532 125 2PY 0.00815 0.01013 -0.03218 0.01614 -0.02089 126 2PZ -0.00187 0.00381 -0.01022 0.02271 0.03814 127 3S 0.00730 0.00669 -0.01117 0.04029 -0.01438 128 3PX -0.00637 0.00601 -0.01084 0.01473 0.02862 129 3PY 0.00234 0.00710 -0.01566 0.00224 -0.02780 130 3PZ 0.00014 0.00104 0.00196 0.01112 0.02414 131 4XX 0.00073 -0.00035 0.00108 -0.00362 0.00023 132 4YY -0.00071 0.00097 -0.00241 0.00310 0.00266 133 4ZZ 0.00002 -0.00113 0.00264 -0.00371 -0.00409 134 4XY 0.00118 -0.00146 0.00346 -0.00387 -0.00847 135 4XZ -0.00037 -0.00001 0.00075 -0.00315 -0.00029 136 4YZ -0.00185 -0.00168 0.00394 -0.00431 -0.00716 137 17 C 1S 0.00286 -0.00316 0.00672 -0.01114 0.00217 138 2S -0.00626 0.00630 -0.01756 0.02806 -0.00474 139 2PX 0.01629 0.00913 -0.02190 0.02079 -0.03532 140 2PY -0.00554 -0.01013 0.03218 -0.01614 -0.02089 141 2PZ -0.03806 0.00381 -0.01022 0.02271 -0.03815 142 3S -0.01425 0.00669 -0.01117 0.04029 0.01438 143 3PX 0.02387 0.00601 -0.01084 0.01473 -0.02862 144 3PY -0.00532 -0.00710 0.01566 -0.00224 -0.02780 145 3PZ -0.02557 0.00104 0.00196 0.01112 -0.02414 146 4XX -0.00458 -0.00035 0.00108 -0.00362 -0.00023 147 4YY 0.00153 0.00097 -0.00241 0.00310 -0.00266 148 4ZZ 0.00305 -0.00113 0.00264 -0.00371 0.00409 149 4XY 0.00010 0.00146 -0.00346 0.00387 -0.00847 150 4XZ 0.00037 -0.00001 0.00075 -0.00315 0.00029 151 4YZ 0.00013 0.00168 -0.00394 0.00431 -0.00716 152 18 H 1S 0.00726 -0.05970 0.12411 0.27099 0.00000 153 2S 0.01618 -0.01231 0.03560 0.21706 0.00000 154 19 H 1S -0.00622 -0.00735 0.02026 -0.01911 -0.03007 155 2S -0.01089 -0.00777 0.02246 -0.02697 -0.03201 156 20 H 1S 0.01532 -0.00735 0.02026 -0.01911 0.03007 157 2S 0.01712 -0.00777 0.02246 -0.02697 0.03202 158 21 H 1S -0.00757 -0.05992 0.12294 -0.07219 -0.00001 159 2S -0.00843 -0.01152 0.03386 -0.08281 0.00000 160 22 O 1S -0.00390 0.00354 -0.00182 0.01529 -0.02798 161 2S 0.00520 -0.00656 0.00256 -0.03725 0.06679 162 2PX -0.03405 -0.02523 0.05125 -0.05310 0.12286 163 2PY 0.03726 0.05976 -0.13129 0.13976 -0.21998 164 2PZ 0.06462 -0.02423 0.04941 -0.05327 0.13958 165 3S 0.00935 0.02100 -0.05475 -0.02476 0.03596 166 3PX -0.02980 -0.00730 0.01639 -0.03746 0.04929 167 3PY 0.02634 0.03520 -0.07588 0.08011 -0.13392 168 3PZ 0.04875 -0.00646 0.01412 -0.01331 0.06660 169 4XX 0.00006 0.00031 -0.00092 0.00985 -0.00249 170 4YY -0.00276 -0.00712 0.01322 -0.01103 0.01050 171 4ZZ 0.00098 0.00033 -0.00064 -0.00019 -0.00109 172 4XY 0.00087 0.00305 -0.00577 -0.00350 -0.00262 173 4XZ -0.00114 -0.00130 0.00169 0.00298 0.00092 174 4YZ -0.00220 0.00368 -0.00688 0.00514 -0.00522 175 23 O 1S -0.00186 0.00354 -0.00182 0.01529 0.02798 176 2S 0.00406 -0.00656 0.00256 -0.03725 -0.06678 177 2PX 0.00767 -0.02523 0.05125 -0.05310 -0.12286 178 2PY 0.00836 -0.05976 0.13129 -0.13976 -0.21997 179 2PZ -0.00690 -0.02423 0.04941 -0.05328 -0.13959 180 3S 0.01129 0.02100 -0.05475 -0.02476 -0.03596 181 3PX 0.00768 -0.00730 0.01639 -0.03746 -0.04929 182 3PY 0.00727 -0.03520 0.07588 -0.08011 -0.13391 183 3PZ -0.00400 -0.00646 0.01412 -0.01331 -0.06661 184 4XX 0.00018 0.00031 -0.00092 0.00985 0.00249 185 4YY 0.00006 -0.00712 0.01322 -0.01103 -0.01050 186 4ZZ -0.00050 0.00033 -0.00064 -0.00019 0.00109 187 4XY 0.00018 -0.00305 0.00577 0.00350 -0.00262 188 4XZ 0.00031 -0.00130 0.00169 0.00298 -0.00092 189 4YZ -0.00058 -0.00368 0.00688 -0.00514 -0.00522 111 112 113 114 115 111 2PZ 0.42487 112 3S 0.05595 0.23348 113 3PX -0.01404 0.01604 0.06207 114 3PY 0.00000 0.00000 0.00000 0.02606 115 3PZ 0.14519 0.02154 -0.00376 0.00000 0.06494 116 4XX -0.00911 0.00239 0.00681 0.00000 0.00048 117 4YY -0.01616 -0.01289 -0.00513 0.00000 -0.00463 118 4ZZ 0.02326 0.00319 -0.00205 0.00000 0.00357 119 4XY 0.00000 0.00000 0.00000 -0.00389 0.00000 120 4XZ -0.01234 -0.00369 -0.00377 0.00000 -0.00400 121 4YZ 0.00000 0.00000 0.00000 -0.00288 0.00000 122 16 C 1S -0.00867 0.00988 -0.00779 -0.00139 -0.00626 123 2S 0.02121 -0.01226 0.01317 0.00393 0.01180 124 2PX 0.03431 -0.04432 0.01209 0.03155 0.03283 125 2PY 0.02129 -0.05396 0.01700 -0.00044 0.02178 126 2PZ 0.00270 -0.00800 0.01128 0.03294 -0.00870 127 3S 0.03383 0.00698 0.01714 -0.00616 0.00195 128 3PX 0.02619 -0.01789 0.00544 0.00958 0.02106 129 3PY 0.00358 -0.02482 0.00311 -0.00233 0.01081 130 3PZ -0.00501 0.01202 0.00396 0.00880 -0.01370 131 4XX -0.00250 -0.00051 0.00005 0.00246 -0.00320 132 4YY 0.00292 -0.00182 0.00128 -0.00101 0.00132 133 4ZZ -0.00353 0.00211 -0.00287 -0.00153 0.00096 134 4XY -0.00433 0.00259 -0.00192 -0.00349 -0.00042 135 4XZ -0.00327 -0.00119 -0.00119 0.00166 0.00022 136 4YZ -0.00376 0.00486 -0.00177 -0.00356 -0.00290 137 17 C 1S -0.00866 0.00988 -0.00779 0.00139 -0.00626 138 2S 0.02121 -0.01226 0.01317 -0.00393 0.01180 139 2PX 0.03431 -0.04432 0.01209 -0.03155 0.03283 140 2PY -0.02129 0.05396 -0.01700 -0.00044 -0.02178 141 2PZ 0.00270 -0.00800 0.01128 -0.03294 -0.00871 142 3S 0.03383 0.00698 0.01714 0.00616 0.00195 143 3PX 0.02619 -0.01789 0.00544 -0.00958 0.02106 144 3PY -0.00358 0.02482 -0.00311 -0.00233 -0.01081 145 3PZ -0.00501 0.01202 0.00396 -0.00880 -0.01370 146 4XX -0.00250 -0.00051 0.00005 -0.00246 -0.00320 147 4YY 0.00292 -0.00182 0.00128 0.00101 0.00132 148 4ZZ -0.00353 0.00211 -0.00287 0.00153 0.00096 149 4XY 0.00433 -0.00259 0.00192 -0.00349 0.00042 150 4XZ -0.00327 -0.00119 -0.00119 -0.00166 0.00022 151 4YZ 0.00376 -0.00486 0.00177 -0.00356 0.00290 152 18 H 1S -0.06516 0.10660 0.09600 0.00000 -0.00314 153 2S -0.07285 0.03009 0.06961 0.00000 0.00211 154 19 H 1S -0.01936 0.02999 -0.01339 -0.02408 -0.00664 155 2S -0.03247 0.02717 -0.01775 -0.02345 -0.00698 156 20 H 1S -0.01936 0.02999 -0.01339 0.02408 -0.00664 157 2S -0.03247 0.02717 -0.01775 0.02345 -0.00698 158 21 H 1S 0.26773 0.11640 -0.01756 0.00000 0.08283 159 2S 0.21788 0.04307 -0.01695 0.00000 0.04488 160 22 O 1S 0.01502 0.02924 -0.00403 -0.00234 -0.00333 161 2S -0.03599 -0.07390 0.00862 0.00202 0.00686 162 2PX -0.05823 0.03114 0.00240 0.04748 -0.06073 163 2PY 0.14523 -0.09641 0.05244 -0.01937 0.05204 164 2PZ -0.05264 0.02271 -0.04080 0.06256 0.03541 165 3S -0.02664 -0.13767 0.01708 -0.00630 0.01928 166 3PX -0.01733 0.00867 0.00190 0.02067 -0.03708 167 3PY 0.08592 -0.05610 0.03030 -0.00872 0.03010 168 3PZ -0.03965 -0.00200 -0.02003 0.03359 0.02610 169 4XX 0.00036 0.00126 0.00281 -0.00039 0.00025 170 4YY -0.01121 0.00987 -0.00395 0.00111 -0.00408 171 4ZZ 0.00932 0.00118 -0.00003 0.00049 0.00221 172 4XY 0.00410 -0.00446 -0.00214 -0.00188 0.00299 173 4XZ 0.00265 0.00061 0.00170 -0.00024 0.00123 174 4YZ -0.00219 -0.00523 0.00267 -0.00254 -0.00263 175 23 O 1S 0.01502 0.02924 -0.00403 0.00234 -0.00333 176 2S -0.03599 -0.07390 0.00862 -0.00203 0.00686 177 2PX -0.05824 0.03114 0.00240 -0.04748 -0.06073 178 2PY -0.14524 0.09641 -0.05244 -0.01937 -0.05204 179 2PZ -0.05265 0.02272 -0.04081 -0.06257 0.03540 180 3S -0.02664 -0.13767 0.01708 0.00630 0.01928 181 3PX -0.01733 0.00867 0.00190 -0.02067 -0.03708 182 3PY -0.08593 0.05610 -0.03030 -0.00872 -0.03010 183 3PZ -0.03965 -0.00200 -0.02003 -0.03359 0.02610 184 4XX 0.00036 0.00126 0.00281 0.00039 0.00025 185 4YY -0.01121 0.00987 -0.00395 -0.00111 -0.00408 186 4ZZ 0.00932 0.00118 -0.00003 -0.00049 0.00221 187 4XY -0.00410 0.00446 0.00214 -0.00188 -0.00299 188 4XZ 0.00265 0.00062 0.00170 0.00024 0.00123 189 4YZ 0.00219 0.00523 -0.00267 -0.00254 0.00263 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00124 0.00343 118 4ZZ -0.00166 -0.00138 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ -0.00011 0.00051 -0.00014 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 0.00102 0.00000 122 16 C 1S -0.00162 0.00217 -0.00094 -0.00103 -0.00005 123 2S 0.00400 -0.00464 0.00176 0.00239 0.00046 124 2PX 0.00735 -0.00888 0.00479 0.00015 0.00444 125 2PY -0.00167 0.00517 -0.00206 0.00067 0.00026 126 2PZ 0.00611 -0.00718 0.00340 0.00422 0.00260 127 3S 0.00033 -0.00421 0.00360 0.00110 -0.00244 128 3PX 0.00299 -0.00355 0.00141 -0.00345 0.00084 129 3PY 0.00046 0.00211 -0.00190 0.00190 0.00049 130 3PZ 0.00146 -0.00332 0.00199 -0.00079 0.00027 131 4XX -0.00073 -0.00023 0.00112 -0.00018 0.00044 132 4YY -0.00007 0.00019 -0.00013 -0.00054 -0.00030 133 4ZZ 0.00058 0.00040 -0.00110 0.00069 0.00005 134 4XY 0.00016 0.00003 -0.00034 0.00038 0.00031 135 4XZ 0.00060 -0.00024 -0.00016 0.00063 0.00052 136 4YZ -0.00033 -0.00008 0.00022 -0.00005 0.00015 137 17 C 1S -0.00162 0.00217 -0.00094 0.00103 -0.00005 138 2S 0.00400 -0.00464 0.00176 -0.00239 0.00046 139 2PX 0.00735 -0.00888 0.00479 -0.00015 0.00444 140 2PY 0.00167 -0.00517 0.00206 0.00067 -0.00026 141 2PZ 0.00611 -0.00718 0.00340 -0.00422 0.00260 142 3S 0.00033 -0.00421 0.00360 -0.00110 -0.00244 143 3PX 0.00299 -0.00355 0.00141 0.00345 0.00084 144 3PY -0.00046 -0.00211 0.00190 0.00190 -0.00049 145 3PZ 0.00146 -0.00332 0.00199 0.00079 0.00027 146 4XX -0.00073 -0.00023 0.00112 0.00018 0.00044 147 4YY -0.00007 0.00019 -0.00013 0.00054 -0.00030 148 4ZZ 0.00058 0.00040 -0.00110 -0.00069 0.00005 149 4XY -0.00016 -0.00003 0.00034 0.00038 -0.00031 150 4XZ 0.00060 -0.00024 -0.00016 -0.00063 0.00052 151 4YZ 0.00033 0.00008 -0.00022 -0.00005 -0.00015 152 18 H 1S 0.02033 -0.01191 -0.01176 0.00000 -0.00523 153 2S 0.02111 -0.00689 -0.01530 0.00000 -0.00337 154 19 H 1S -0.00057 0.00081 -0.00195 0.00002 -0.00069 155 2S 0.00090 0.00129 -0.00371 -0.00015 0.00044 156 20 H 1S -0.00057 0.00081 -0.00195 -0.00002 -0.00069 157 2S 0.00090 0.00129 -0.00371 0.00015 0.00044 158 21 H 1S -0.01122 -0.01263 0.02042 0.00000 -0.00575 159 2S -0.01622 -0.00903 0.02417 0.00000 -0.00384 160 22 O 1S 0.00248 -0.00616 0.00216 0.00391 -0.00149 161 2S -0.00540 0.01471 -0.00417 -0.00924 0.00368 162 2PX -0.02408 0.01377 0.00781 0.00690 -0.00134 163 2PY -0.00102 0.00405 -0.00109 0.01985 -0.01286 164 2PZ 0.00833 0.01598 -0.02693 -0.01748 -0.00132 165 3S -0.00775 0.02322 -0.00867 -0.00750 0.00155 166 3PX -0.01644 0.00749 0.00798 0.00701 -0.00098 167 3PY -0.00129 0.00300 -0.00069 0.01253 -0.00776 168 3PZ 0.00819 0.00990 -0.01914 -0.01068 -0.00087 169 4XX 0.00094 -0.00058 -0.00039 -0.00007 -0.00035 170 4YY -0.00003 -0.00031 0.00013 -0.00082 0.00098 171 4ZZ -0.00048 -0.00042 0.00081 0.00036 -0.00037 172 4XY 0.00079 -0.00053 -0.00004 -0.00053 0.00029 173 4XZ 0.00011 -0.00031 0.00027 -0.00012 -0.00004 174 4YZ -0.00001 -0.00060 0.00083 0.00065 0.00020 175 23 O 1S 0.00248 -0.00616 0.00216 -0.00391 -0.00149 176 2S -0.00540 0.01471 -0.00417 0.00924 0.00368 177 2PX -0.02408 0.01377 0.00781 -0.00690 -0.00134 178 2PY 0.00102 -0.00405 0.00110 0.01984 0.01286 179 2PZ 0.00833 0.01598 -0.02693 0.01749 -0.00132 180 3S -0.00775 0.02322 -0.00867 0.00750 0.00155 181 3PX -0.01644 0.00749 0.00798 -0.00701 -0.00098 182 3PY 0.00129 -0.00300 0.00069 0.01253 0.00776 183 3PZ 0.00819 0.00990 -0.01914 0.01068 -0.00087 184 4XX 0.00094 -0.00058 -0.00039 0.00007 -0.00035 185 4YY -0.00003 -0.00031 0.00013 0.00082 0.00098 186 4ZZ -0.00048 -0.00042 0.00081 -0.00036 -0.00037 187 4XY -0.00079 0.00053 0.00004 -0.00053 -0.00029 188 4XZ 0.00011 -0.00031 0.00027 0.00012 -0.00004 189 4YZ 0.00001 0.00060 -0.00083 0.00065 -0.00020 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S -0.00012 -0.06339 0.33288 124 2PX 0.00418 0.01203 -0.01861 0.34621 125 2PY 0.00250 -0.00506 0.01302 0.04015 0.43070 126 2PZ -0.00145 0.01511 -0.02721 -0.02221 0.02891 127 3S 0.00005 -0.17203 0.27248 -0.09835 -0.01737 128 3PX 0.00060 0.01878 -0.03665 0.16687 0.03758 129 3PY 0.00299 -0.00736 0.00397 0.05103 0.12294 130 3PZ -0.00241 0.00255 -0.01649 -0.08141 -0.01244 131 4XX 0.00103 -0.01177 -0.01308 0.01164 -0.00701 132 4YY -0.00052 -0.01725 -0.00101 -0.00623 0.01259 133 4ZZ -0.00027 -0.01571 -0.00410 -0.00184 -0.01309 134 4XY 0.00013 -0.00020 0.00034 -0.00113 0.00496 135 4XZ 0.00022 -0.00345 0.00809 0.01110 -0.00916 136 4YZ 0.00040 -0.00424 0.00860 -0.01262 -0.00768 137 17 C 1S 0.00000 0.01947 -0.04084 0.01341 -0.08014 138 2S 0.00012 -0.04084 0.07592 -0.02567 0.16581 139 2PX -0.00418 0.01341 -0.02567 0.16094 0.01945 140 2PY 0.00250 0.08014 -0.16581 -0.01944 -0.32464 141 2PZ 0.00145 -0.01090 0.01981 -0.09938 -0.03388 142 3S -0.00005 0.00180 0.02807 -0.06625 0.12945 143 3PX -0.00060 0.00344 -0.00368 0.09438 0.01941 144 3PY 0.00299 0.00105 -0.01885 -0.02433 -0.10079 145 3PZ 0.00240 -0.00661 0.01818 -0.06395 -0.03851 146 4XX -0.00103 0.00325 -0.00759 -0.00048 -0.01313 147 4YY 0.00052 -0.00653 0.01193 0.00092 0.00799 148 4ZZ 0.00027 0.00346 -0.00793 0.00233 -0.01007 149 4XY 0.00013 -0.00007 0.00037 -0.01259 -0.00563 150 4XZ -0.00022 0.00133 -0.00307 0.00017 -0.00448 151 4YZ 0.00040 -0.00081 0.00171 0.00512 -0.00038 152 18 H 1S 0.00000 -0.00481 0.01265 0.02127 -0.00579 153 2S 0.00000 -0.00437 0.01311 0.04174 0.00554 154 19 H 1S -0.00063 -0.06820 0.13566 -0.06571 -0.16921 155 2S -0.00038 -0.02048 0.04650 -0.03958 -0.13845 156 20 H 1S 0.00063 0.01654 -0.03648 0.00832 -0.04030 157 2S 0.00038 0.02040 -0.04063 0.02370 -0.06419 158 21 H 1S 0.00000 -0.00289 0.00539 0.00914 -0.00538 159 2S 0.00000 -0.00328 0.00504 -0.00171 -0.00261 160 22 O 1S 0.00458 -0.00177 0.00495 0.00446 0.00162 161 2S -0.01106 0.00716 -0.01548 -0.01397 -0.01727 162 2PX -0.01703 -0.01256 0.02728 -0.07077 0.03230 163 2PY 0.02151 -0.02271 0.05458 0.02755 0.05834 164 2PZ 0.00888 0.00200 -0.00189 0.04870 0.05124 165 3S -0.00927 -0.00338 -0.00398 -0.01642 0.03056 166 3PX -0.01035 -0.00941 0.02046 -0.05944 0.01727 167 3PY 0.01360 -0.01410 0.03728 0.01911 0.03997 168 3PZ 0.00786 0.00235 -0.00387 0.04773 0.04115 169 4XX 0.00048 0.00027 0.00014 -0.00368 -0.00416 170 4YY -0.00102 0.00139 -0.00234 -0.00091 -0.00258 171 4ZZ 0.00007 0.00102 -0.00120 0.00256 -0.00250 172 4XY 0.00044 -0.00070 0.00154 0.00302 0.00608 173 4XZ -0.00032 -0.00006 0.00020 0.00117 0.00136 174 4YZ -0.00038 -0.00092 0.00213 0.00170 0.00473 175 23 O 1S -0.00458 0.00537 -0.00687 -0.02953 0.00841 176 2S 0.01106 -0.00988 0.01073 0.06594 -0.03094 177 2PX 0.01703 0.05683 -0.12361 -0.16694 0.10826 178 2PY 0.02152 -0.02548 0.05164 0.09861 -0.03172 179 2PZ -0.00887 0.03477 -0.06519 -0.17836 0.07010 180 3S 0.00927 0.01404 -0.02641 0.06861 0.04043 181 3PX 0.01035 0.02658 -0.06226 -0.10154 0.05728 182 3PY 0.01360 -0.01946 0.03878 0.07145 -0.02506 183 3PZ -0.00786 0.01512 -0.02655 -0.08266 0.04075 184 4XX -0.00048 -0.00369 0.00605 -0.00641 -0.00823 185 4YY 0.00102 -0.00126 0.00120 0.00465 -0.00050 186 4ZZ -0.00007 -0.00089 0.00060 0.00146 -0.00487 187 4XY 0.00044 0.00464 -0.00907 -0.00889 -0.00340 188 4XZ 0.00032 -0.00489 0.00780 0.00431 -0.00310 189 4YZ -0.00038 0.00277 -0.00504 -0.01129 -0.00410 126 127 128 129 130 126 2PZ 0.37882 127 3S -0.02415 0.30238 128 3PX -0.08370 -0.06511 0.10751 129 3PY -0.01636 0.00109 0.03278 0.05313 130 3PZ 0.16318 0.01251 -0.06592 -0.02381 0.09326 131 4XX 0.01131 -0.01110 0.00269 -0.00135 0.00336 132 4YY -0.00557 -0.00002 0.00019 0.00171 -0.00081 133 4ZZ -0.00482 -0.00313 -0.00075 -0.00225 -0.00239 134 4XY -0.01134 0.00070 0.00125 0.00301 -0.00445 135 4XZ 0.00702 0.00261 0.00148 -0.00128 -0.00019 136 4YZ -0.00937 0.01358 -0.00464 -0.00212 -0.00057 137 17 C 1S -0.01090 0.00180 0.00344 -0.00105 -0.00661 138 2S 0.01982 0.02807 -0.00368 0.01885 0.01818 139 2PX -0.09938 -0.06625 0.09438 0.02433 -0.06394 140 2PY 0.03386 -0.12945 -0.01941 -0.10079 0.03851 141 2PZ 0.11880 0.07405 -0.05076 -0.02188 0.08165 142 3S 0.07406 -0.02100 -0.03377 -0.01284 0.04415 143 3PX -0.05076 -0.03377 0.04459 0.01943 -0.04240 144 3PY 0.02187 0.01284 -0.01943 -0.02619 0.02098 145 3PZ 0.08165 0.04415 -0.04240 -0.02098 0.04847 146 4XX -0.00040 -0.00418 -0.00003 -0.00386 0.00090 147 4YY 0.00075 0.01064 -0.00134 0.00339 -0.00132 148 4ZZ -0.00379 -0.00858 0.00231 -0.00223 -0.00162 149 4XY 0.00419 0.00612 -0.00720 -0.00241 0.00480 150 4XZ -0.00034 -0.00378 0.00085 -0.00203 0.00145 151 4YZ -0.01435 0.00373 0.00559 0.00309 -0.00723 152 18 H 1S 0.01276 0.00898 0.01226 -0.00076 0.00419 153 2S 0.00480 -0.00497 0.02403 0.00972 -0.00720 154 19 H 1S -0.19077 0.13823 -0.01463 -0.04024 -0.06420 155 2S -0.15450 0.05310 0.00285 -0.02943 -0.05323 156 20 H 1S 0.00080 -0.06701 -0.00165 -0.02501 0.00188 157 2S 0.00813 -0.06604 0.00133 -0.02217 -0.00048 158 21 H 1S 0.00811 0.02075 0.00567 -0.00940 0.00565 159 2S 0.02480 0.03060 -0.00489 -0.01304 0.01770 160 22 O 1S 0.00858 -0.01912 -0.00040 -0.00866 0.00034 161 2S -0.01590 0.03953 -0.00018 0.01381 0.00415 162 2PX 0.04712 0.05189 -0.06279 -0.00293 0.01592 163 2PY 0.01345 0.11865 -0.01223 0.07006 -0.02567 164 2PZ -0.05768 -0.02257 0.04579 0.04206 -0.04494 165 3S -0.06696 0.06991 0.00818 0.04760 -0.02588 166 3PX 0.04762 0.04012 -0.05124 -0.00649 0.02008 167 3PY 0.01436 0.07833 -0.00943 0.04594 -0.01464 168 3PZ -0.05146 -0.02362 0.03962 0.03260 -0.03821 169 4XX 0.00503 0.00129 -0.00203 -0.00205 0.00335 170 4YY 0.00125 -0.00668 -0.00009 -0.00370 0.00190 171 4ZZ -0.00056 -0.00190 0.00056 -0.00107 -0.00081 172 4XY -0.00086 -0.00119 0.00307 0.00152 -0.00019 173 4XZ 0.00027 -0.00024 0.00084 -0.00009 0.00043 174 4YZ 0.00040 0.00089 0.00049 0.00056 0.00013 175 23 O 1S -0.02341 0.03365 0.00189 0.00926 0.00881 176 2S 0.05396 -0.08565 -0.00925 -0.02010 -0.02161 177 2PX -0.18560 -0.03606 -0.02843 0.01432 -0.03342 178 2PY 0.06629 0.06384 -0.00553 0.04341 0.00080 179 2PZ -0.08072 -0.07377 -0.06529 0.02437 -0.03147 180 3S 0.04687 -0.14502 -0.00221 -0.00576 -0.03622 181 3PX -0.09088 -0.00386 -0.02098 0.00217 -0.00671 182 3PY 0.04913 0.04535 -0.00213 0.02760 0.00143 183 3PZ -0.05659 -0.04401 -0.02602 0.01818 -0.02934 184 4XX 0.00739 0.00707 -0.00484 -0.00343 0.00474 185 4YY 0.00290 0.00255 0.00001 0.00238 0.00049 186 4ZZ -0.00969 0.00268 0.00309 -0.00096 -0.00347 187 4XY -0.01056 -0.00459 -0.00132 -0.00224 -0.00177 188 4XZ -0.00128 0.00512 0.00090 -0.00065 -0.00175 189 4YZ -0.00184 -0.00392 -0.00492 -0.00177 0.00035 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00081 0.00124 133 4ZZ -0.00057 -0.00025 0.00166 134 4XY -0.00068 0.00016 0.00042 0.00146 135 4XZ 0.00036 -0.00086 0.00048 -0.00038 0.00147 136 4YZ -0.00059 0.00001 0.00006 0.00045 -0.00023 137 17 C 1S 0.00325 -0.00653 0.00346 0.00007 0.00133 138 2S -0.00759 0.01193 -0.00793 -0.00037 -0.00307 139 2PX -0.00048 0.00092 0.00233 0.01259 0.00017 140 2PY 0.01313 -0.00799 0.01007 -0.00563 0.00448 141 2PZ -0.00040 0.00075 -0.00379 -0.00419 -0.00034 142 3S -0.00418 0.01065 -0.00858 -0.00612 -0.00378 143 3PX -0.00003 -0.00134 0.00231 0.00720 0.00085 144 3PY 0.00386 -0.00339 0.00223 -0.00241 0.00203 145 3PZ 0.00090 -0.00132 -0.00162 -0.00480 0.00145 146 4XX 0.00057 -0.00034 0.00024 0.00016 0.00000 147 4YY -0.00034 -0.00010 -0.00026 -0.00009 0.00023 148 4ZZ 0.00024 -0.00026 0.00074 -0.00004 0.00019 149 4XY -0.00016 0.00009 0.00004 0.00000 -0.00036 150 4XZ 0.00000 0.00023 0.00019 0.00036 0.00004 151 4YZ -0.00047 0.00007 0.00022 0.00055 -0.00017 152 18 H 1S -0.00346 0.00043 0.00137 0.00038 0.00037 153 2S -0.00561 0.00070 0.00374 0.00106 0.00177 154 19 H 1S -0.01030 -0.00133 0.00728 0.00491 0.00219 155 2S -0.00710 -0.00114 0.00780 0.00503 0.00106 156 20 H 1S 0.00286 0.00067 0.00200 -0.00225 0.00135 157 2S 0.00382 -0.00248 0.00396 -0.00105 0.00287 158 21 H 1S 0.00242 0.00013 -0.00360 -0.00183 -0.00183 159 2S 0.00650 0.00011 -0.00765 -0.00380 -0.00289 160 22 O 1S 0.00017 -0.00113 -0.00041 -0.00019 0.00019 161 2S -0.00013 0.00172 0.00103 0.00005 -0.00040 162 2PX 0.00181 -0.00322 -0.00312 -0.00571 -0.00061 163 2PY 0.00128 -0.00525 -0.00022 -0.00352 0.00129 164 2PZ -0.00149 -0.00191 0.00376 -0.00395 0.00219 165 3S -0.00333 0.00284 0.00163 0.00090 -0.00219 166 3PX 0.00099 -0.00167 -0.00235 -0.00407 -0.00033 167 3PY 0.00137 -0.00393 -0.00032 -0.00219 0.00114 168 3PZ -0.00132 -0.00071 0.00283 -0.00122 0.00133 169 4XX -0.00005 0.00009 -0.00001 -0.00046 0.00004 170 4YY 0.00012 0.00005 0.00004 0.00039 0.00013 171 4ZZ 0.00028 -0.00010 -0.00004 -0.00010 -0.00003 172 4XY -0.00034 0.00045 -0.00018 0.00033 -0.00009 173 4XZ -0.00007 0.00027 -0.00014 0.00002 -0.00007 174 4YZ -0.00012 0.00028 -0.00037 0.00037 -0.00016 175 23 O 1S -0.00408 0.00187 -0.00015 0.00472 -0.00482 176 2S 0.01019 -0.00417 0.00085 -0.01094 0.01112 177 2PX 0.00967 0.00837 -0.01393 0.00470 -0.02047 178 2PY 0.01247 -0.01669 0.00483 0.01114 0.01396 179 2PZ -0.02966 0.00734 0.02319 0.01508 -0.00360 180 3S 0.00915 -0.00037 -0.00055 -0.01372 0.00833 181 3PX 0.00838 0.00484 -0.01121 0.00028 -0.01239 182 3PY 0.00827 -0.01108 0.00301 0.00645 0.00952 183 3PZ -0.02041 0.00453 0.01586 0.00909 -0.00057 184 4XX -0.00053 -0.00009 0.00032 -0.00036 0.00026 185 4YY 0.00073 -0.00086 0.00021 0.00086 0.00067 186 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 187 4XY 0.00044 0.00033 -0.00031 0.00003 -0.00095 188 4XZ 0.00015 -0.00020 -0.00014 -0.00023 0.00045 189 4YZ -0.00104 0.00016 0.00112 0.00036 -0.00013 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00081 2.05255 138 2S -0.00171 -0.06339 0.33288 139 2PX -0.00512 0.01203 -0.01861 0.34621 140 2PY -0.00038 0.00506 -0.01302 -0.04015 0.43070 141 2PZ 0.01435 0.01511 -0.02721 -0.02221 -0.02891 142 3S -0.00373 -0.17203 0.27248 -0.09835 0.01737 143 3PX -0.00559 0.01878 -0.03665 0.16687 -0.03758 144 3PY 0.00309 0.00736 -0.00397 -0.05103 0.12294 145 3PZ 0.00723 0.00255 -0.01649 -0.08141 0.01243 146 4XX 0.00047 -0.01177 -0.01308 0.01164 0.00701 147 4YY -0.00007 -0.01725 -0.00101 -0.00623 -0.01259 148 4ZZ -0.00022 -0.01571 -0.00410 -0.00184 0.01309 149 4XY 0.00055 0.00020 -0.00034 0.00113 0.00496 150 4XZ 0.00017 -0.00345 0.00809 0.01110 0.00916 151 4YZ 0.00062 0.00424 -0.00860 0.01262 -0.00768 152 18 H 1S -0.00170 -0.00481 0.01265 0.02127 0.00579 153 2S -0.00353 -0.00437 0.01311 0.04174 -0.00554 154 19 H 1S 0.01375 0.01654 -0.03648 0.00832 0.04030 155 2S 0.00999 0.02040 -0.04063 0.02370 0.06419 156 20 H 1S -0.00732 -0.06820 0.13566 -0.06571 0.16922 157 2S -0.00649 -0.02048 0.04650 -0.03958 0.13845 158 21 H 1S 0.00070 -0.00289 0.00539 0.00914 0.00538 159 2S 0.00148 -0.00328 0.00504 -0.00171 0.00261 160 22 O 1S -0.00025 0.00537 -0.00687 -0.02953 -0.00841 161 2S 0.00048 -0.00988 0.01073 0.06594 0.03094 162 2PX -0.00497 0.05683 -0.12361 -0.16694 -0.10825 163 2PY -0.00300 0.02547 -0.05164 -0.09861 -0.03171 164 2PZ -0.00360 0.03477 -0.06519 -0.17836 -0.07010 165 3S 0.00023 0.01404 -0.02641 0.06861 -0.04044 166 3PX -0.00223 0.02658 -0.06226 -0.10154 -0.05728 167 3PY -0.00193 0.01946 -0.03878 -0.07145 -0.02506 168 3PZ -0.00308 0.01512 -0.02655 -0.08266 -0.04075 169 4XX 0.00020 -0.00369 0.00605 -0.00641 0.00823 170 4YY 0.00029 -0.00126 0.00120 0.00465 0.00050 171 4ZZ -0.00046 -0.00089 0.00060 0.00146 0.00487 172 4XY 0.00023 -0.00464 0.00907 0.00889 -0.00340 173 4XZ -0.00020 -0.00489 0.00780 0.00431 0.00310 174 4YZ -0.00002 -0.00277 0.00504 0.01130 -0.00410 175 23 O 1S 0.00418 -0.00177 0.00495 0.00446 -0.00162 176 2S -0.00916 0.00716 -0.01548 -0.01397 0.01727 177 2PX 0.01404 -0.01256 0.02728 -0.07077 -0.03230 178 2PY 0.00988 0.02271 -0.05458 -0.02755 0.05834 179 2PZ -0.00087 0.00200 -0.00189 0.04870 -0.05123 180 3S -0.01643 -0.00338 -0.00398 -0.01642 -0.03056 181 3PX 0.00876 -0.00941 0.02046 -0.05944 -0.01728 182 3PY 0.00552 0.01410 -0.03728 -0.01911 0.03997 183 3PZ -0.00239 0.00235 -0.00387 0.04773 -0.04115 184 4XX 0.00009 0.00027 0.00014 -0.00368 0.00416 185 4YY 0.00082 0.00139 -0.00234 -0.00091 0.00258 186 4ZZ 0.00035 0.00102 -0.00120 0.00256 0.00250 187 4XY 0.00054 0.00070 -0.00154 -0.00302 0.00608 188 4XZ 0.00007 -0.00006 0.00020 0.00117 -0.00136 189 4YZ 0.00011 0.00092 -0.00213 -0.00170 0.00473 141 142 143 144 145 141 2PZ 0.37882 142 3S -0.02415 0.30238 143 3PX -0.08371 -0.06511 0.10751 144 3PY 0.01636 -0.00109 -0.03277 0.05313 145 3PZ 0.16318 0.01251 -0.06592 0.02381 0.09327 146 4XX 0.01131 -0.01110 0.00269 0.00135 0.00336 147 4YY -0.00557 -0.00002 0.00019 -0.00171 -0.00081 148 4ZZ -0.00482 -0.00313 -0.00075 0.00225 -0.00239 149 4XY 0.01134 -0.00070 -0.00125 0.00301 0.00445 150 4XZ 0.00702 0.00261 0.00148 0.00128 -0.00019 151 4YZ 0.00937 -0.01358 0.00464 -0.00212 0.00057 152 18 H 1S 0.01276 0.00898 0.01226 0.00076 0.00419 153 2S 0.00480 -0.00497 0.02403 -0.00972 -0.00720 154 19 H 1S 0.00080 -0.06701 -0.00165 0.02501 0.00188 155 2S 0.00813 -0.06604 0.00133 0.02217 -0.00048 156 20 H 1S -0.19076 0.13823 -0.01463 0.04024 -0.06420 157 2S -0.15450 0.05310 0.00285 0.02943 -0.05323 158 21 H 1S 0.00811 0.02075 0.00567 0.00940 0.00565 159 2S 0.02480 0.03060 -0.00489 0.01304 0.01770 160 22 O 1S -0.02341 0.03365 0.00189 -0.00926 0.00881 161 2S 0.05396 -0.08565 -0.00925 0.02010 -0.02161 162 2PX -0.18561 -0.03606 -0.02843 -0.01432 -0.03342 163 2PY -0.06629 -0.06384 0.00554 0.04341 -0.00080 164 2PZ -0.08073 -0.07378 -0.06529 -0.02436 -0.03147 165 3S 0.04687 -0.14502 -0.00221 0.00576 -0.03622 166 3PX -0.09089 -0.00386 -0.02098 -0.00217 -0.00671 167 3PY -0.04913 -0.04535 0.00213 0.02760 -0.00143 168 3PZ -0.05659 -0.04402 -0.02602 -0.01818 -0.02934 169 4XX 0.00739 0.00707 -0.00484 0.00343 0.00474 170 4YY 0.00290 0.00255 0.00001 -0.00238 0.00049 171 4ZZ -0.00969 0.00268 0.00309 0.00096 -0.00347 172 4XY 0.01056 0.00459 0.00132 -0.00224 0.00177 173 4XZ -0.00128 0.00512 0.00090 0.00065 -0.00175 174 4YZ 0.00184 0.00392 0.00492 -0.00177 -0.00035 175 23 O 1S 0.00858 -0.01912 -0.00040 0.00866 0.00034 176 2S -0.01589 0.03953 -0.00018 -0.01381 0.00415 177 2PX 0.04712 0.05189 -0.06279 0.00293 0.01592 178 2PY -0.01345 -0.11865 0.01223 0.07006 0.02567 179 2PZ -0.05768 -0.02257 0.04579 -0.04205 -0.04494 180 3S -0.06696 0.06991 0.00818 -0.04760 -0.02588 181 3PX 0.04762 0.04012 -0.05124 0.00649 0.02008 182 3PY -0.01436 -0.07833 0.00943 0.04594 0.01465 183 3PZ -0.05146 -0.02362 0.03962 -0.03260 -0.03821 184 4XX 0.00503 0.00129 -0.00203 0.00205 0.00335 185 4YY 0.00125 -0.00668 -0.00009 0.00370 0.00190 186 4ZZ -0.00056 -0.00190 0.00056 0.00107 -0.00081 187 4XY 0.00086 0.00119 -0.00307 0.00152 0.00019 188 4XZ 0.00027 -0.00024 0.00084 0.00009 0.00043 189 4YZ -0.00040 -0.00089 -0.00049 0.00056 -0.00013 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00081 0.00124 148 4ZZ -0.00057 -0.00025 0.00166 149 4XY 0.00068 -0.00016 -0.00042 0.00146 150 4XZ 0.00036 -0.00086 0.00048 0.00038 0.00147 151 4YZ 0.00059 -0.00001 -0.00006 0.00045 0.00023 152 18 H 1S -0.00346 0.00043 0.00137 -0.00038 0.00037 153 2S -0.00561 0.00070 0.00374 -0.00106 0.00177 154 19 H 1S 0.00286 0.00066 0.00200 0.00225 0.00135 155 2S 0.00382 -0.00248 0.00396 0.00105 0.00287 156 20 H 1S -0.01030 -0.00133 0.00728 -0.00491 0.00219 157 2S -0.00710 -0.00114 0.00780 -0.00503 0.00106 158 21 H 1S 0.00242 0.00013 -0.00360 0.00183 -0.00183 159 2S 0.00650 0.00011 -0.00765 0.00380 -0.00289 160 22 O 1S -0.00408 0.00187 -0.00015 -0.00472 -0.00482 161 2S 0.01019 -0.00417 0.00085 0.01094 0.01112 162 2PX 0.00967 0.00837 -0.01393 -0.00470 -0.02047 163 2PY -0.01247 0.01669 -0.00483 0.01114 -0.01396 164 2PZ -0.02966 0.00734 0.02319 -0.01508 -0.00360 165 3S 0.00915 -0.00037 -0.00055 0.01372 0.00833 166 3PX 0.00838 0.00484 -0.01121 -0.00028 -0.01239 167 3PY -0.00827 0.01108 -0.00301 0.00645 -0.00951 168 3PZ -0.02041 0.00453 0.01586 -0.00909 -0.00057 169 4XX -0.00053 -0.00009 0.00032 0.00036 0.00026 170 4YY 0.00073 -0.00086 0.00021 -0.00086 0.00067 171 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 172 4XY -0.00044 -0.00033 0.00031 0.00003 0.00095 173 4XZ 0.00015 -0.00020 -0.00014 0.00023 0.00045 174 4YZ 0.00104 -0.00016 -0.00112 0.00036 0.00013 175 23 O 1S 0.00017 -0.00113 -0.00041 0.00019 0.00019 176 2S -0.00013 0.00172 0.00103 -0.00005 -0.00040 177 2PX 0.00181 -0.00322 -0.00311 0.00571 -0.00061 178 2PY -0.00128 0.00525 0.00022 -0.00352 -0.00129 179 2PZ -0.00149 -0.00191 0.00376 0.00395 0.00219 180 3S -0.00333 0.00284 0.00163 -0.00090 -0.00219 181 3PX 0.00099 -0.00167 -0.00235 0.00407 -0.00033 182 3PY -0.00137 0.00393 0.00032 -0.00219 -0.00114 183 3PZ -0.00132 -0.00071 0.00284 0.00122 0.00133 184 4XX -0.00005 0.00009 -0.00001 0.00046 0.00004 185 4YY 0.00012 0.00005 0.00004 -0.00039 0.00013 186 4ZZ 0.00028 -0.00010 -0.00004 0.00010 -0.00003 187 4XY 0.00034 -0.00045 0.00018 0.00033 0.00009 188 4XZ -0.00007 0.00027 -0.00014 -0.00002 -0.00007 189 4YZ 0.00012 -0.00028 0.00037 0.00037 0.00016 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S 0.00170 0.22350 153 2S 0.00353 0.17399 0.16571 154 19 H 1S 0.00732 -0.00083 -0.00208 0.21549 155 2S 0.00649 0.00156 0.00583 0.15285 0.12396 156 20 H 1S -0.01375 -0.00083 -0.00208 -0.01120 -0.00665 157 2S -0.00999 0.00156 0.00583 -0.00665 0.00087 158 21 H 1S -0.00070 -0.04298 -0.08219 -0.00729 -0.01727 159 2S -0.00148 -0.08901 -0.12033 -0.01839 -0.03270 160 22 O 1S -0.00418 0.01026 0.00570 -0.00352 -0.00324 161 2S 0.00916 -0.02490 -0.01482 0.00990 0.00967 162 2PX -0.01404 -0.06499 -0.11691 -0.02878 -0.05948 163 2PY 0.00988 0.01387 0.03138 -0.01996 -0.04326 164 2PZ 0.00087 0.02890 0.07566 -0.00586 0.00656 165 3S 0.01643 -0.04016 -0.01085 0.01898 0.01364 166 3PX -0.00876 -0.05426 -0.08762 -0.02012 -0.04088 167 3PY 0.00553 0.00600 0.01561 -0.01569 -0.03098 168 3PZ 0.00239 0.03093 0.06848 -0.00329 0.00721 169 4XX -0.00009 0.00638 0.00588 -0.00004 0.00016 170 4YY -0.00082 -0.00047 -0.00281 0.00060 0.00204 171 4ZZ -0.00035 -0.00214 -0.00286 -0.00074 -0.00140 172 4XY 0.00054 -0.00191 0.00179 -0.00076 0.00066 173 4XZ -0.00007 0.00194 0.00098 -0.00092 -0.00084 174 4YZ 0.00011 -0.00018 -0.00080 -0.00110 -0.00143 175 23 O 1S 0.00025 0.01026 0.00570 0.01458 0.01571 176 2S -0.00048 -0.02490 -0.01482 -0.02981 -0.03188 177 2PX 0.00497 -0.06499 -0.11691 0.01401 0.01598 178 2PY -0.00300 -0.01387 -0.03138 0.01736 0.02196 179 2PZ 0.00360 0.02890 0.07566 0.04332 0.07308 180 3S -0.00023 -0.04016 -0.01085 -0.07740 -0.06865 181 3PX 0.00223 -0.05426 -0.08762 0.00237 -0.00175 182 3PY -0.00193 -0.00600 -0.01562 0.00923 0.01053 183 3PZ 0.00308 0.03093 0.06848 0.03206 0.04917 184 4XX -0.00020 0.00638 0.00588 0.00288 0.00109 185 4YY -0.00029 -0.00047 -0.00281 0.00091 0.00186 186 4ZZ 0.00046 -0.00214 -0.00286 0.00570 0.00403 187 4XY 0.00023 0.00191 -0.00179 0.00313 0.00327 188 4XZ 0.00020 0.00194 0.00098 0.00366 0.00123 189 4YZ -0.00002 0.00018 0.00080 0.00319 0.00428 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.15285 0.12396 158 21 H 1S -0.00729 -0.01727 0.22401 159 2S -0.01839 -0.03270 0.18439 0.19878 160 22 O 1S 0.01458 0.01571 0.00889 0.00532 2.07557 161 2S -0.02981 -0.03188 -0.02014 -0.01017 -0.17799 162 2PX 0.01401 0.01598 0.02515 0.08191 -0.01251 163 2PY -0.01736 -0.02197 0.01452 0.02791 -0.03973 164 2PZ 0.04332 0.07308 -0.07388 -0.15915 -0.00478 165 3S -0.07740 -0.06865 -0.04560 -0.02895 -0.24523 166 3PX 0.00237 -0.00175 0.02839 0.07369 -0.00938 167 3PY -0.00923 -0.01054 0.00975 0.01833 -0.02573 168 3PZ 0.03206 0.04917 -0.06367 -0.12026 -0.00453 169 4XX 0.00288 0.00109 -0.00188 -0.00272 -0.01520 170 4YY 0.00091 0.00186 0.00010 -0.00145 -0.01267 171 4ZZ 0.00570 0.00403 0.00617 0.00636 -0.01397 172 4XY -0.00313 -0.00327 -0.00032 -0.00176 0.00150 173 4XZ 0.00366 0.00123 0.00215 0.00178 -0.00372 174 4YZ -0.00319 -0.00428 -0.00169 0.00307 0.00139 175 23 O 1S -0.00352 -0.00324 0.00889 0.00532 0.00092 176 2S 0.00990 0.00967 -0.02014 -0.01017 -0.00175 177 2PX -0.02878 -0.05948 0.02515 0.08191 -0.00451 178 2PY 0.01996 0.04326 -0.01452 -0.02791 0.01105 179 2PZ -0.00586 0.00656 -0.07388 -0.15915 -0.00933 180 3S 0.01898 0.01364 -0.04560 -0.02895 -0.01294 181 3PX -0.02012 -0.04088 0.02839 0.07369 -0.00662 182 3PY 0.01569 0.03097 -0.00975 -0.01833 0.00453 183 3PZ -0.00329 0.00721 -0.06367 -0.12026 -0.01028 184 4XX -0.00004 0.00016 -0.00188 -0.00272 0.00031 185 4YY 0.00060 0.00204 0.00010 -0.00145 0.00035 186 4ZZ -0.00074 -0.00140 0.00617 0.00636 -0.00024 187 4XY 0.00076 -0.00066 0.00032 0.00176 -0.00079 188 4XZ -0.00092 -0.00084 0.00215 0.00178 0.00022 189 4YZ 0.00110 0.00143 0.00169 -0.00307 -0.00075 161 162 163 164 165 161 2S 0.50359 162 2PX 0.02850 0.64791 163 2PY 0.07464 0.02587 0.66561 164 2PZ 0.00376 -0.13783 0.04102 0.71651 165 3S 0.59250 0.04943 0.21999 0.05275 0.75618 166 3PX 0.02093 0.40599 0.03489 -0.15870 0.03229 167 3PY 0.04921 0.03538 0.42234 0.03769 0.14005 168 3PZ 0.00464 -0.14600 0.04619 0.46282 0.04137 169 4XX -0.00285 -0.01349 0.00530 0.00322 -0.00421 170 4YY -0.00833 0.00249 -0.04105 -0.00244 -0.01835 171 4ZZ -0.00547 0.00533 0.00589 -0.00731 -0.00646 172 4XY -0.00344 -0.02796 -0.00808 0.00450 -0.00490 173 4XZ 0.00792 -0.00237 -0.00090 -0.00743 0.00741 174 4YZ -0.00292 0.00402 -0.00308 -0.02923 -0.00413 175 23 O 1S -0.00175 -0.00451 -0.01104 -0.00933 -0.01294 176 2S 0.00434 0.00771 0.02888 0.01775 0.02675 177 2PX 0.00771 0.00552 -0.00092 -0.01625 0.03677 178 2PY -0.02888 0.00092 0.13550 0.00574 -0.05941 179 2PZ 0.01775 -0.01625 -0.00573 0.00705 0.07072 180 3S 0.02675 0.03677 0.05940 0.07073 0.08394 181 3PX 0.01437 0.00623 -0.00134 -0.00569 0.02852 182 3PY -0.01241 0.00192 0.10449 0.01085 -0.02904 183 3PZ 0.02059 -0.01000 -0.00174 0.01676 0.05953 184 4XX -0.00032 -0.00140 0.00226 -0.00269 -0.00148 185 4YY -0.00120 0.00051 -0.00223 0.00072 -0.00514 186 4ZZ 0.00068 -0.00158 0.00197 -0.00342 0.00135 187 4XY 0.00193 0.00037 -0.00332 -0.00069 0.00244 188 4XZ -0.00068 -0.00132 0.00299 -0.00072 -0.00058 189 4YZ 0.00177 -0.00020 -0.00194 0.00060 0.00257 166 167 168 169 170 166 3PX 0.26578 167 3PY 0.03226 0.26979 168 3PZ -0.13779 0.03459 0.30850 169 4XX -0.00785 0.00286 0.00301 0.00104 170 4YY 0.00029 -0.02560 -0.00326 -0.00033 0.00294 171 4ZZ 0.00401 0.00371 -0.00472 0.00002 -0.00023 172 4XY -0.01726 -0.00594 0.00506 0.00037 0.00030 173 4XZ -0.00077 -0.00087 -0.00424 0.00009 -0.00005 174 4YZ 0.00508 -0.00252 -0.01812 -0.00023 0.00015 175 23 O 1S -0.00662 -0.00453 -0.01028 0.00031 0.00035 176 2S 0.01437 0.01241 0.02059 -0.00032 -0.00120 177 2PX 0.00623 -0.00192 -0.01000 -0.00140 0.00051 178 2PY 0.00134 0.10449 0.00174 -0.00226 0.00223 179 2PZ -0.00569 -0.01084 0.01676 -0.00269 0.00072 180 3S 0.02852 0.02904 0.05953 -0.00148 -0.00514 181 3PX 0.00658 -0.00115 -0.00632 -0.00031 -0.00009 182 3PY 0.00115 0.07829 0.00618 -0.00118 0.00014 183 3PZ -0.00632 -0.00618 0.02065 -0.00184 -0.00021 184 4XX -0.00031 0.00118 -0.00183 0.00050 -0.00026 185 4YY -0.00009 -0.00014 -0.00021 -0.00026 0.00085 186 4ZZ -0.00074 0.00094 -0.00229 -0.00004 -0.00029 187 4XY -0.00008 -0.00244 -0.00041 0.00010 0.00011 188 4XZ -0.00070 0.00179 -0.00023 0.00005 -0.00015 189 4YZ 0.00036 -0.00155 0.00015 0.00000 0.00014 171 172 173 174 175 171 4ZZ 0.00079 172 4XY -0.00034 0.00161 173 4XZ 0.00011 0.00008 0.00045 174 4YZ 0.00019 0.00006 0.00028 0.00151 175 23 O 1S -0.00024 0.00079 0.00022 0.00075 2.07557 176 2S 0.00068 -0.00193 -0.00068 -0.00177 -0.17799 177 2PX -0.00158 -0.00037 -0.00132 0.00020 -0.01251 178 2PY -0.00197 -0.00332 -0.00299 -0.00194 0.03973 179 2PZ -0.00342 0.00069 -0.00072 -0.00060 -0.00478 180 3S 0.00135 -0.00244 -0.00058 -0.00257 -0.24523 181 3PX -0.00074 0.00008 -0.00070 -0.00036 -0.00938 182 3PY -0.00094 -0.00244 -0.00179 -0.00155 0.02573 183 3PZ -0.00229 0.00041 -0.00023 -0.00015 -0.00453 184 4XX -0.00004 -0.00010 0.00005 0.00000 -0.01520 185 4YY -0.00029 -0.00011 -0.00015 -0.00014 -0.01267 186 4ZZ 0.00025 0.00002 0.00008 0.00004 -0.01397 187 4XY -0.00002 -0.00029 0.00001 -0.00012 -0.00150 188 4XZ 0.00008 -0.00001 0.00004 0.00002 -0.00372 189 4YZ -0.00004 -0.00012 -0.00002 -0.00034 -0.00139 176 177 178 179 180 176 2S 0.50359 177 2PX 0.02850 0.64791 178 2PY -0.07464 -0.02587 0.66561 179 2PZ 0.00376 -0.13783 -0.04102 0.71651 180 3S 0.59250 0.04943 -0.21999 0.05274 0.75618 181 3PX 0.02093 0.40599 -0.03488 -0.15870 0.03229 182 3PY -0.04921 -0.03537 0.42234 -0.03769 -0.14005 183 3PZ 0.00464 -0.14600 -0.04619 0.46281 0.04137 184 4XX -0.00285 -0.01349 -0.00530 0.00322 -0.00421 185 4YY -0.00833 0.00249 0.04105 -0.00244 -0.01836 186 4ZZ -0.00547 0.00533 -0.00589 -0.00731 -0.00646 187 4XY 0.00344 0.02796 -0.00808 -0.00450 0.00490 188 4XZ 0.00792 -0.00237 0.00090 -0.00743 0.00741 189 4YZ 0.00292 -0.00402 -0.00308 0.02923 0.00413 181 182 183 184 185 181 3PX 0.26578 182 3PY -0.03226 0.26980 183 3PZ -0.13779 -0.03459 0.30850 184 4XX -0.00785 -0.00286 0.00301 0.00104 185 4YY 0.00029 0.02560 -0.00327 -0.00033 0.00294 186 4ZZ 0.00401 -0.00371 -0.00472 0.00002 -0.00023 187 4XY 0.01726 -0.00594 -0.00506 -0.00037 -0.00030 188 4XZ -0.00077 0.00087 -0.00424 0.00009 -0.00005 189 4YZ -0.00508 -0.00252 0.01812 0.00023 -0.00015 186 187 188 189 186 4ZZ 0.00079 187 4XY 0.00034 0.00161 188 4XZ 0.00011 -0.00008 0.00045 189 4YZ -0.00019 0.00006 -0.00028 0.00151 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05499 2 2S -0.01344 0.32633 3 2PX 0.00000 0.00000 0.35439 4 2PY 0.00000 0.00000 0.00000 0.41151 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 6 3S -0.03645 0.23612 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11189 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 0.09697 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 -0.00519 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 0.09692 0.00070 17 2S -0.00121 0.01237 0.00024 0.06456 0.00049 18 3 C 1S 0.00000 -0.00054 -0.00132 -0.00067 -0.00092 19 2S -0.00058 0.01134 0.02021 0.00937 0.01358 20 2PX -0.00143 0.02093 -0.00057 0.01826 0.03417 21 2PY -0.00062 0.00935 0.01791 -0.00036 0.00933 22 2PZ -0.00090 0.01263 0.03915 0.00746 0.00059 23 3S 0.00070 0.00574 0.00750 0.01238 0.00722 24 3PX -0.00061 0.01224 0.00367 0.00805 0.01437 25 3PY -0.00036 0.00249 0.01210 0.00131 0.00369 26 3PZ 0.00035 0.00196 0.01594 0.00065 0.00349 27 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 28 4YY 0.00001 -0.00046 -0.00034 -0.00027 -0.00033 29 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 30 4XY -0.00008 0.00083 0.00020 -0.00002 0.00121 31 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 32 4YZ -0.00007 0.00068 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 -0.00550 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 -0.00041 -0.00006 -0.00025 42 3PY 0.00010 -0.00274 0.00143 -0.00579 -0.00045 43 3PZ -0.00004 -0.00007 0.00025 0.00006 -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 -0.00019 -0.00012 -0.00024 -0.00095 70 2S -0.00020 0.00510 0.00225 0.00423 0.01884 71 2PX -0.00009 0.00177 0.00002 0.00094 0.00649 72 2PY -0.00019 0.00371 0.00070 -0.00061 0.01257 73 2PZ -0.00117 0.02397 0.00790 0.01390 0.04483 74 3S 0.00013 0.00692 0.00564 0.00982 0.01743 75 3PX -0.00008 0.00179 0.00000 0.00068 0.00365 76 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 77 3PZ -0.00127 0.01980 0.00425 0.00822 0.01549 78 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 79 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 80 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 81 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 82 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 83 4YZ -0.00005 0.00082 0.00023 0.00005 0.00129 84 10 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 85 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 86 11 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 87 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 90 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 91 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 92 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 93 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 94 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 95 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 96 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00001 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 0.00000 0.00000 102 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00001 0.00010 0.00023 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00009 0.00011 0.00015 0.00006 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 0.00000 0.00002 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 124 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 125 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 126 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 127 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 128 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 129 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 130 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 131 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 143 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 144 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 145 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 155 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00003 0.00003 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 181 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 182 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 183 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.30061 7 3PX 0.00000 0.12488 8 3PY 0.00000 0.00000 0.05321 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 0.00017 -0.00103 17 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 18 3 C 1S -0.00055 -0.00102 -0.00059 -0.00032 -0.00004 19 2S 0.01143 0.01276 0.00676 0.00386 0.00057 20 2PX 0.02145 0.00242 0.00702 0.01528 -0.00099 21 2PY 0.00590 0.00816 -0.00073 0.00376 0.00080 22 2PZ 0.01306 0.02060 0.00274 0.00259 0.00133 23 3S -0.01474 -0.00312 0.00540 0.00232 0.00123 24 3PX 0.01146 0.01823 0.00359 0.01266 -0.00161 25 3PY 0.00031 0.01057 0.00090 -0.00004 0.00080 26 3PZ 0.00069 0.01516 -0.00047 0.01140 0.00174 27 4XX 0.00113 -0.00122 0.00038 0.00142 -0.00002 28 4YY -0.00076 0.00008 -0.00056 -0.00054 -0.00003 29 4ZZ -0.00044 0.00087 -0.00013 -0.00080 0.00002 30 4XY 0.00045 0.00000 0.00002 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 -0.00394 0.00015 35 5 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 36 2S -0.00122 -0.00090 -0.00155 -0.00048 0.00000 37 2PX -0.00102 -0.00004 -0.00010 -0.00104 -0.00001 38 2PY -0.00147 -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 -0.00292 0.00027 -0.00242 -0.00013 42 3PY -0.00347 0.00394 -0.00164 -0.00328 -0.00004 43 3PZ -0.00043 -0.00051 -0.00011 -0.00241 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 -0.00138 0.00000 0.00001 58 3PX 0.00000 -0.00748 0.00000 0.00000 0.00000 59 3PY -0.00138 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 -0.00008 -0.00013 -0.00030 -0.00056 0.00000 70 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 71 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 72 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 73 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 74 3S 0.00013 0.00758 0.00649 -0.00033 -0.00076 75 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 76 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 77 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 78 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 79 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 80 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 81 4XY 0.00004 0.00005 0.00001 0.00003 0.00000 82 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 83 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 84 10 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 85 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 86 11 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 87 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 88 12 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 89 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 90 2PX -0.00011 -0.00004 0.00000 0.00005 0.00000 91 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 92 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 93 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 94 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 95 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 96 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 97 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 98 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 99 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 100 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 101 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 102 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 103 13 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 104 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 105 14 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 106 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 110 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 113 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 114 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 115 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 116 4XX -0.00001 -0.00001 -0.00001 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 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 123 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 124 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 125 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 126 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 127 3S 0.00126 0.00244 0.00172 0.00107 0.00037 128 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 129 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 130 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 131 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 132 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 133 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 134 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 135 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 138 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 139 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 140 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 141 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 142 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 143 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 144 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 145 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 146 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 147 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 148 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 149 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 150 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 151 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 154 19 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 155 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 156 20 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 157 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 158 21 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 159 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 162 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 166 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 167 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 168 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 177 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 178 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 179 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 180 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 181 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 182 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 183 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 184 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 185 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 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 0.00065 20 2PX -0.00024 0.00034 0.00030 0.00034 0.00116 21 2PY -0.00025 0.00013 -0.00003 0.00095 -0.00001 22 2PZ -0.00019 -0.00071 0.00116 0.00003 0.00009 23 3S -0.00158 0.00062 0.00021 0.00039 0.00020 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 0.00001 -0.00008 0.00000 -0.00002 -0.00004 70 2S -0.00028 0.00173 0.00008 0.00027 0.00071 71 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 72 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 73 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 74 3S -0.00147 0.00324 0.00007 0.00015 0.00037 75 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 76 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 77 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 78 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 79 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 80 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 81 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 82 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 83 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 85 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 86 11 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 87 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00000 0.00000 0.00001 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 94 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 95 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 96 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 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 -0.00002 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 0.00000 124 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 128 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 129 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 130 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 143 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 144 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 145 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00002 0.00003 0.00000 0.00002 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21714 17 2S 0.11577 0.16496 18 3 C 1S 0.00000 0.00019 2.05271 19 2S -0.00019 -0.00267 -0.01361 0.32496 20 2PX -0.00019 -0.00255 0.00000 0.00000 0.36896 21 2PY -0.00047 -0.00651 0.00000 0.00000 0.00000 22 2PZ -0.00007 -0.00039 0.00000 0.00000 0.00000 23 3S -0.00450 -0.01535 -0.02961 0.20116 0.00000 24 3PX -0.00158 -0.00582 0.00000 0.00000 0.10336 25 3PY -0.00036 -0.00203 0.00000 0.00000 0.00000 26 3PZ -0.00043 -0.00017 0.00000 0.00000 0.00000 27 4XX -0.00001 -0.00026 -0.00113 -0.00672 0.00000 28 4YY 0.00009 0.00097 -0.00134 -0.00219 0.00000 29 4ZZ -0.00001 -0.00025 -0.00127 -0.00380 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 0.00008 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00105 -0.00198 0.03084 0.02436 34 2S -0.00104 -0.00589 -0.00120 0.01190 0.01601 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 0.00018 0.00000 0.00000 0.01910 42 3PY 0.00033 0.00392 -0.00172 0.02369 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 0.00016 0.00000 0.00000 0.00000 70 2S -0.00013 -0.00247 0.00000 -0.00004 -0.00005 71 2PX -0.00001 -0.00020 0.00000 -0.00007 0.00000 72 2PY -0.00028 -0.00446 0.00000 0.00000 0.00000 73 2PZ -0.00025 -0.00431 0.00000 -0.00017 -0.00033 74 3S -0.00400 -0.01623 0.00004 -0.00076 0.00005 75 3PX -0.00014 -0.00051 0.00004 -0.00064 0.00002 76 3PY -0.00097 -0.00527 0.00000 0.00004 0.00002 77 3PZ -0.00282 -0.00972 0.00012 -0.00216 -0.00313 78 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 79 4YY 0.00004 0.00065 0.00000 0.00000 0.00000 80 4ZZ -0.00001 -0.00038 0.00000 0.00000 0.00004 81 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 82 4XZ 0.00000 -0.00001 0.00000 0.00001 -0.00001 83 4YZ 0.00004 0.00010 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 85 2S -0.00017 -0.00034 0.00000 -0.00006 0.00013 86 11 H 1S -0.00001 -0.00027 0.00000 0.00000 0.00000 87 2S -0.00039 -0.00001 0.00000 0.00015 -0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00006 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00029 0.00000 0.00000 -0.00002 92 2PZ 0.00000 0.00004 0.00000 -0.00001 0.00001 93 3S 0.00007 0.00130 0.00002 -0.00039 -0.00025 94 3PX 0.00000 0.00003 0.00000 -0.00005 0.00000 95 3PY 0.00023 0.00301 0.00001 -0.00022 -0.00053 96 3PZ 0.00000 0.00018 0.00002 -0.00032 0.00017 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 -0.00001 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00011 0.00000 0.00001 -0.00002 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 -0.00015 0.00000 0.00000 0.00001 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 -0.00001 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 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00009 0.00000 0.00000 -0.00002 124 2PX -0.00001 -0.00061 0.00000 -0.00002 -0.00008 125 2PY -0.00001 -0.00045 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00017 0.00000 0.00000 0.00000 127 3S -0.00055 -0.00323 0.00001 -0.00022 -0.00141 128 3PX -0.00060 -0.00284 0.00004 -0.00065 -0.00046 129 3PY 0.00020 0.00072 0.00000 0.00000 -0.00001 130 3PZ -0.00018 -0.00110 0.00000 -0.00006 -0.00019 131 4XX 0.00000 -0.00002 0.00000 0.00000 0.00001 132 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00001 0.00000 0.00000 -0.00003 140 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00001 0.00040 0.00000 -0.00005 -0.00055 143 3PX -0.00001 0.00008 0.00000 -0.00017 -0.00188 144 3PY 0.00003 0.00046 0.00000 -0.00002 0.00051 145 3PZ 0.00000 0.00007 0.00000 0.00000 -0.00014 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 -0.00011 0.00000 0.00000 -0.00001 155 2S -0.00011 -0.00016 0.00000 -0.00003 -0.00048 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00003 0.00000 0.00000 0.00011 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00002 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00026 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00011 0.00000 0.00000 0.00001 182 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 184 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.41335 22 2PZ 0.00000 0.39023 23 3S 0.00000 0.00000 0.25009 24 3PX 0.00000 0.00000 0.00000 0.12000 25 3PY 0.07887 0.00000 0.00000 0.00000 0.06237 26 3PZ 0.00000 0.09567 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00354 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00196 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00155 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 0.02406 0.04948 0.04347 0.00828 0.01001 34 2S 0.01556 0.03425 0.03825 0.00516 0.00740 35 5 C 1S -0.00258 0.00000 -0.00027 0.00000 -0.00172 36 2S 0.04008 0.00000 0.01148 0.00000 0.02369 37 2PX 0.00000 0.00000 0.00000 0.01910 0.00000 38 2PY 0.09681 0.00000 0.03098 0.00000 0.01764 39 2PZ 0.00000 0.00839 0.00000 0.00000 0.00000 40 3S 0.03098 0.00000 -0.00963 0.00000 0.00844 41 3PX 0.00000 0.00000 0.00000 0.02602 0.00000 42 3PY 0.01764 0.00000 0.00844 0.00000 0.00146 43 3PZ 0.00000 0.01655 0.00000 0.00000 0.00000 44 4XX -0.00106 0.00000 -0.00148 0.00000 -0.00163 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 0.00143 55 2PY -0.00053 -0.00005 -0.00557 -0.00006 -0.00579 56 2PZ -0.00010 0.00000 0.00025 -0.00025 -0.00045 57 3S -0.00147 -0.00108 -0.00157 -0.00090 -0.00347 58 3PX -0.00124 -0.00095 0.00466 -0.00292 0.00394 59 3PY 0.00064 -0.00066 -0.00670 0.00027 -0.00164 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 0.00002 0.00001 0.00000 70 2S 0.00000 -0.00015 -0.00042 0.00002 -0.00003 71 2PX 0.00000 -0.00022 -0.00082 0.00015 -0.00008 72 2PY 0.00000 0.00000 -0.00002 -0.00002 0.00019 73 2PZ 0.00000 -0.00022 -0.00011 -0.00079 -0.00014 74 3S 0.00002 -0.00378 0.00248 0.00384 -0.00019 75 3PX -0.00002 -0.00115 -0.00096 0.00004 -0.00014 76 3PY 0.00013 0.00009 0.00009 -0.00003 0.00105 77 3PZ 0.00004 -0.00217 0.00150 -0.00198 -0.00016 78 4XX 0.00000 0.00002 0.00006 -0.00008 0.00001 79 4YY 0.00000 0.00000 -0.00007 -0.00007 0.00000 80 4ZZ 0.00000 -0.00001 0.00005 0.00033 -0.00001 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 82 4XZ 0.00000 0.00008 0.00006 -0.00006 0.00001 83 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 84 10 H 1S 0.00000 -0.00001 -0.00011 0.00013 -0.00002 85 2S 0.00000 -0.00054 -0.00081 0.00059 -0.00011 86 11 H 1S 0.00000 0.00000 0.00005 -0.00005 0.00005 87 2S 0.00002 0.00041 0.00079 -0.00100 0.00047 88 12 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 89 2S 0.00000 -0.00001 -0.00036 0.00006 -0.00018 90 2PX 0.00000 -0.00001 -0.00014 0.00004 -0.00033 91 2PY 0.00001 0.00000 -0.00023 -0.00038 0.00008 92 2PZ -0.00002 -0.00002 -0.00137 -0.00006 -0.00076 93 3S -0.00036 -0.00016 -0.00468 -0.00148 -0.00260 94 3PX -0.00003 -0.00005 -0.00064 0.00000 -0.00082 95 3PY 0.00010 0.00006 -0.00149 -0.00158 0.00001 96 3PZ -0.00075 -0.00016 -0.00522 -0.00027 -0.00249 97 4XX 0.00000 0.00000 0.00004 0.00001 0.00003 98 4YY 0.00000 0.00000 0.00001 0.00001 0.00003 99 4ZZ 0.00000 0.00000 -0.00005 -0.00002 -0.00009 100 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00001 0.00001 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 103 13 H 1S 0.00000 0.00000 0.00004 0.00000 -0.00002 104 2S -0.00001 0.00010 0.00052 -0.00015 -0.00030 105 14 H 1S 0.00000 0.00000 0.00001 0.00001 0.00002 106 2S 0.00001 -0.00001 0.00036 0.00036 0.00040 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 0.00000 -0.00001 -0.00004 0.00000 113 3PX 0.00000 0.00000 0.00000 -0.00003 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 -0.00005 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 C 1S 0.00000 0.00000 0.00001 0.00006 0.00000 123 2S 0.00000 0.00000 -0.00029 -0.00144 0.00000 124 2PX 0.00000 0.00000 0.00030 -0.00169 0.00000 125 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 126 2PZ 0.00000 0.00000 -0.00001 -0.00008 0.00000 127 3S 0.00000 -0.00006 -0.00022 -0.00786 0.00001 128 3PX 0.00000 0.00001 0.00035 -0.00257 0.00001 129 3PY -0.00001 0.00000 0.00000 -0.00002 -0.00005 130 3PZ 0.00000 -0.00011 0.00006 -0.00044 0.00000 131 4XX 0.00000 0.00000 -0.00004 0.00027 0.00000 132 4YY 0.00000 0.00000 0.00001 -0.00003 0.00000 133 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 135 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 138 2S 0.00000 0.00000 0.00003 -0.00038 -0.00004 139 2PX 0.00000 0.00000 -0.00037 -0.00238 -0.00037 140 2PY 0.00000 0.00000 0.00000 0.00019 -0.00001 141 2PZ 0.00000 0.00000 -0.00002 -0.00018 -0.00002 142 3S -0.00007 -0.00003 -0.00076 -0.00413 -0.00081 143 3PX -0.00021 -0.00012 -0.00191 -0.00956 -0.00165 144 3PY 0.00001 0.00004 -0.00001 0.00282 0.00000 145 3PZ -0.00002 0.00020 -0.00021 -0.00096 -0.00014 146 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 147 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00003 0.00000 149 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 150 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00001 0.00000 154 19 H 1S 0.00000 0.00000 -0.00008 -0.00081 0.00003 155 2S 0.00002 -0.00005 -0.00017 -0.00194 0.00021 156 20 H 1S 0.00000 0.00000 0.00002 0.00006 0.00002 157 2S 0.00000 0.00003 0.00017 0.00120 0.00023 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 -0.00001 -0.00005 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00002 0.00006 0.00001 166 3PX 0.00000 0.00000 0.00004 0.00032 0.00005 167 3PY 0.00000 0.00000 0.00001 0.00002 0.00000 168 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00024 0.00001 181 3PX 0.00000 0.00000 0.00008 0.00030 0.00004 182 3PY 0.00000 0.00000 -0.00002 -0.00003 0.00001 183 3PZ 0.00000 0.00000 -0.00003 -0.00005 0.00000 184 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PZ 0.09328 27 4XX 0.00000 0.00092 28 4YY 0.00000 -0.00008 0.00114 29 4ZZ 0.00000 0.00007 -0.00006 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 0.02192 -0.00039 -0.00082 0.00160 0.00114 34 2S 0.02134 0.00026 -0.00135 0.00254 0.00027 35 5 C 1S 0.00000 0.00000 -0.00026 0.00000 0.00000 36 2S 0.00000 -0.00042 0.00362 -0.00047 0.00000 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00201 38 2PY 0.00000 -0.00106 0.00223 -0.00112 0.00000 39 2PZ 0.01655 0.00000 0.00000 0.00000 0.00000 40 3S 0.00000 -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 -0.00033 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 0.00012 0.00000 0.00000 0.00000 0.00000 70 2S -0.00177 0.00000 0.00000 0.00001 0.00000 71 2PX -0.00219 0.00000 0.00000 0.00002 0.00000 72 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00070 0.00001 0.00000 0.00006 0.00000 74 3S -0.00950 0.00010 -0.00012 0.00019 0.00000 75 3PX -0.00300 0.00000 -0.00003 0.00015 0.00000 76 3PY 0.00013 0.00000 0.00000 -0.00001 -0.00003 77 3PZ 0.00127 0.00004 -0.00015 0.00050 -0.00001 78 4XX 0.00026 0.00000 0.00000 0.00000 0.00000 79 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 80 4ZZ -0.00022 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00029 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S -0.00096 0.00000 0.00000 0.00000 0.00000 85 2S -0.00405 0.00002 0.00000 -0.00004 0.00000 86 11 H 1S 0.00015 0.00000 0.00000 0.00000 0.00000 87 2S 0.00247 -0.00001 0.00000 -0.00001 0.00000 88 12 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 89 2S -0.00042 0.00000 0.00000 0.00000 0.00000 90 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00010 0.00000 0.00000 0.00000 0.00000 92 2PZ -0.00117 0.00000 0.00000 0.00000 0.00000 93 3S -0.00055 -0.00002 0.00003 0.00003 0.00000 94 3PX 0.00000 -0.00001 0.00000 0.00001 0.00000 95 3PY 0.00079 -0.00003 0.00004 -0.00002 0.00000 96 3PZ -0.00211 0.00001 -0.00002 0.00003 -0.00003 97 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 98 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 100 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 101 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00010 0.00000 0.00000 0.00000 0.00000 104 2S 0.00142 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00009 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00001 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00004 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00016 0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 127 3S -0.00039 0.00005 -0.00002 0.00000 0.00000 128 3PX -0.00020 0.00034 -0.00007 -0.00009 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 130 3PZ 0.00051 0.00003 0.00000 0.00000 0.00000 131 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00003 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00012 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00015 0.00000 0.00000 0.00000 0.00000 142 3S -0.00023 0.00000 0.00000 0.00000 -0.00001 143 3PX -0.00061 0.00000 -0.00001 0.00000 0.00001 144 3PY 0.00017 0.00000 0.00001 0.00000 0.00000 145 3PZ 0.00122 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S -0.00026 0.00000 0.00000 0.00000 0.00000 155 2S -0.00063 -0.00004 0.00000 0.00002 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00028 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00001 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 168 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S -0.00003 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00002 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 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 0.17164 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 -0.00152 0.00000 40 3S 0.00000 0.00000 -0.00417 -0.01700 -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 0.00084 0.00019 -0.00033 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 -0.00059 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 -0.00011 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 0.00001 0.00000 0.00000 0.00008 0.00000 71 2PX 0.00001 0.00000 0.00000 0.00009 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 73 2PZ 0.00005 0.00000 0.00000 0.00033 0.00000 74 3S 0.00008 -0.00001 0.00008 0.00142 0.00002 75 3PX 0.00001 0.00000 0.00002 0.00048 0.00000 76 3PY 0.00000 -0.00001 0.00001 0.00015 0.00001 77 3PZ 0.00018 0.00000 0.00020 0.00283 0.00002 78 4XX 0.00000 0.00000 0.00000 -0.00001 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 -0.00001 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 -0.00001 -0.00001 0.00000 -0.00005 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 -0.00019 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 -0.00001 -0.00004 0.00000 -0.00001 0.00004 94 3PX 0.00000 -0.00001 0.00000 -0.00005 0.00004 95 3PY -0.00002 0.00001 0.00000 -0.00001 0.00000 96 3PZ 0.00000 -0.00001 0.00000 -0.00008 0.00012 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 0.00002 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00009 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 3S 0.00000 0.00000 0.00001 0.00027 0.00000 128 3PX 0.00000 0.00000 0.00001 0.00048 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 130 3PZ 0.00000 0.00000 -0.00002 -0.00021 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 -0.00007 0.00001 143 3PX 0.00000 0.00000 0.00000 -0.00003 0.00004 144 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00004 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00027 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00002 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.32496 37 2PX 0.00000 0.36896 38 2PY 0.00000 0.00000 0.41335 39 2PZ 0.00000 0.00000 0.00000 0.39023 40 3S 0.20116 0.00000 0.00000 0.00000 0.25009 41 3PX 0.00000 0.10336 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 0.09567 0.00000 44 4XX -0.00672 0.00000 0.00000 0.00000 -0.00354 45 4YY -0.00219 0.00000 0.00000 0.00000 -0.00196 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 0.02436 0.02406 0.04947 0.04347 51 2S 0.01190 0.01601 0.01556 0.03425 0.03825 52 7 C 1S -0.00058 -0.00143 -0.00062 -0.00090 0.00070 53 2S 0.01134 0.02093 0.00935 0.01263 0.00574 54 2PX 0.02021 -0.00057 0.01791 0.03915 0.00750 55 2PY 0.00937 0.01826 -0.00036 0.00746 0.01237 56 2PZ 0.01358 0.03417 0.00933 0.00059 0.00722 57 3S 0.01143 0.02145 0.00590 0.01306 -0.01474 58 3PX 0.01276 0.00242 0.00816 0.02060 -0.00312 59 3PY 0.00676 0.00702 -0.00073 0.00274 0.00540 60 3PZ 0.00387 0.01528 0.00376 0.00259 0.00232 61 4XX 0.00057 -0.00099 0.00080 0.00133 0.00123 62 4YY -0.00045 -0.00024 -0.00025 -0.00019 -0.00158 63 4ZZ -0.00019 0.00034 0.00013 -0.00071 0.00062 64 4XY 0.00083 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 -0.00255 -0.00651 -0.00039 -0.01535 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 70 2S 0.00000 0.00000 0.00000 -0.00001 -0.00036 71 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00014 72 2PY 0.00000 -0.00002 0.00001 0.00000 -0.00023 73 2PZ -0.00001 0.00001 -0.00002 -0.00002 -0.00137 74 3S -0.00039 -0.00025 -0.00036 -0.00016 -0.00468 75 3PX -0.00005 0.00000 -0.00003 -0.00005 -0.00064 76 3PY -0.00022 -0.00053 0.00010 0.00006 -0.00149 77 3PZ -0.00032 0.00017 -0.00075 -0.00016 -0.00522 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00004 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 80 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00005 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00004 85 2S 0.00001 -0.00002 -0.00001 0.00010 0.00052 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 87 2S 0.00000 0.00001 0.00001 -0.00001 0.00036 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 89 2S -0.00004 -0.00005 0.00000 -0.00015 -0.00042 90 2PX -0.00007 0.00000 0.00000 -0.00022 -0.00082 91 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 92 2PZ -0.00017 -0.00033 0.00000 -0.00022 -0.00011 93 3S -0.00076 0.00005 0.00002 -0.00378 0.00248 94 3PX -0.00064 0.00002 -0.00002 -0.00115 -0.00096 95 3PY 0.00004 0.00002 0.00013 0.00009 0.00009 96 3PZ -0.00216 -0.00313 0.00004 -0.00217 0.00150 97 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 98 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 99 4ZZ 0.00000 0.00004 0.00000 -0.00001 0.00005 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00001 -0.00001 0.00000 0.00008 0.00006 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00011 104 2S -0.00006 0.00013 0.00000 -0.00054 -0.00081 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 106 2S 0.00015 -0.00001 0.00002 0.00041 0.00079 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 0.00000 0.00000 0.00000 -0.00001 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00003 124 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00037 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 127 3S -0.00005 -0.00055 -0.00007 -0.00003 -0.00076 128 3PX -0.00017 -0.00188 -0.00021 -0.00012 -0.00191 129 3PY -0.00002 0.00051 0.00001 0.00004 -0.00001 130 3PZ 0.00000 -0.00014 -0.00002 0.00020 -0.00021 131 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 138 2S 0.00000 -0.00002 0.00000 0.00000 -0.00029 139 2PX -0.00002 -0.00008 0.00000 0.00000 0.00030 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 3S -0.00022 -0.00141 0.00000 -0.00006 -0.00022 143 3PX -0.00065 -0.00046 0.00000 0.00001 0.00035 144 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 145 3PZ -0.00006 -0.00019 0.00000 -0.00011 0.00006 146 4XX 0.00000 0.00001 0.00000 0.00000 -0.00004 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 155 2S 0.00000 0.00011 0.00000 0.00003 0.00017 156 20 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00008 157 2S -0.00003 -0.00048 0.00002 -0.00005 -0.00017 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00001 0.00000 0.00000 0.00008 167 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 168 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00002 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 3PX 0.12000 42 3PY 0.00000 0.06237 43 3PZ 0.00000 0.00000 0.09329 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 0.00828 0.01001 0.02191 -0.00039 -0.00082 51 2S 0.00516 0.00740 0.02134 0.00026 -0.00135 52 7 C 1S -0.00061 -0.00036 0.00035 -0.00003 0.00001 53 2S 0.01224 0.00249 0.00196 0.00050 -0.00046 54 2PX 0.00366 0.01210 0.01594 -0.00076 -0.00034 55 2PY 0.00805 0.00131 0.00065 0.00066 -0.00027 56 2PZ 0.01437 0.00369 0.00349 0.00099 -0.00033 57 3S 0.01146 0.00031 0.00069 0.00113 -0.00076 58 3PX 0.01823 0.01057 0.01516 -0.00122 0.00008 59 3PY 0.00359 0.00090 -0.00047 0.00038 -0.00056 60 3PZ 0.01266 -0.00004 0.01140 0.00142 -0.00054 61 4XX -0.00161 0.00080 0.00174 -0.00002 -0.00003 62 4YY -0.00022 -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 -0.00158 -0.00036 -0.00043 -0.00001 0.00009 68 2S -0.00582 -0.00203 -0.00017 -0.00026 0.00097 69 9 C 1S 0.00000 0.00001 0.00001 0.00000 0.00000 70 2S 0.00006 -0.00018 -0.00042 0.00000 0.00000 71 2PX 0.00004 -0.00033 -0.00003 0.00000 0.00000 72 2PY -0.00038 0.00008 0.00010 0.00000 0.00000 73 2PZ -0.00006 -0.00076 -0.00117 0.00000 0.00000 74 3S -0.00148 -0.00260 -0.00055 -0.00002 0.00003 75 3PX 0.00000 -0.00082 0.00000 -0.00001 0.00000 76 3PY -0.00158 0.00001 0.00079 -0.00003 0.00004 77 3PZ -0.00027 -0.00249 -0.00211 0.00001 -0.00002 78 4XX 0.00001 0.00003 0.00004 0.00000 0.00000 79 4YY 0.00001 0.00003 -0.00005 0.00000 0.00000 80 4ZZ -0.00002 -0.00009 0.00001 0.00000 0.00000 81 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 82 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00000 83 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 84 10 H 1S 0.00000 -0.00002 0.00010 0.00000 0.00000 85 2S -0.00015 -0.00030 0.00142 0.00000 0.00000 86 11 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 87 2S 0.00036 0.00040 -0.00010 0.00000 0.00000 88 12 C 1S 0.00001 0.00000 0.00012 0.00000 0.00000 89 2S 0.00002 -0.00003 -0.00177 0.00000 0.00000 90 2PX 0.00015 -0.00008 -0.00219 0.00000 0.00000 91 2PY -0.00002 0.00019 0.00001 0.00000 0.00000 92 2PZ -0.00079 -0.00014 0.00070 0.00001 0.00000 93 3S 0.00384 -0.00019 -0.00950 0.00010 -0.00012 94 3PX 0.00004 -0.00014 -0.00300 0.00000 -0.00003 95 3PY -0.00003 0.00105 0.00013 0.00000 0.00000 96 3PZ -0.00198 -0.00016 0.00127 0.00004 -0.00015 97 4XX -0.00008 0.00001 0.00026 0.00000 0.00000 98 4YY -0.00007 0.00000 -0.00002 0.00000 0.00000 99 4ZZ 0.00033 -0.00001 -0.00022 0.00000 0.00000 100 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 101 4XZ -0.00006 0.00001 0.00029 0.00000 0.00000 102 4YZ 0.00000 -0.00005 0.00000 0.00000 0.00000 103 13 H 1S 0.00013 -0.00002 -0.00096 0.00000 0.00000 104 2S 0.00059 -0.00011 -0.00405 0.00002 0.00000 105 14 H 1S -0.00005 0.00005 0.00015 0.00000 0.00000 106 2S -0.00100 0.00047 0.00247 -0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX -0.00003 0.00000 0.00001 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00005 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 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 123 2S -0.00038 -0.00004 -0.00003 0.00000 0.00000 124 2PX -0.00238 -0.00037 -0.00012 0.00000 0.00000 125 2PY 0.00019 -0.00001 0.00002 0.00000 0.00000 126 2PZ -0.00018 -0.00002 0.00015 0.00000 0.00000 127 3S -0.00413 -0.00081 -0.00023 0.00000 0.00000 128 3PX -0.00956 -0.00165 -0.00061 0.00000 -0.00001 129 3PY 0.00282 0.00000 0.00017 0.00000 0.00001 130 3PZ -0.00096 -0.00014 0.00122 0.00000 0.00000 131 4XX -0.00001 -0.00001 0.00000 0.00000 0.00000 132 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 134 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00006 0.00000 0.00000 0.00000 0.00000 138 2S -0.00144 0.00000 -0.00004 0.00000 0.00000 139 2PX -0.00169 0.00000 -0.00016 0.00001 0.00000 140 2PY -0.00001 -0.00003 0.00000 0.00000 0.00000 141 2PZ -0.00008 0.00000 0.00001 0.00000 0.00000 142 3S -0.00786 0.00001 -0.00039 0.00005 -0.00002 143 3PX -0.00257 0.00001 -0.00020 0.00034 -0.00007 144 3PY -0.00002 -0.00005 0.00000 0.00000 0.00000 145 3PZ -0.00044 0.00000 0.00051 0.00003 0.00000 146 4XX 0.00027 0.00000 0.00003 0.00000 0.00000 147 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 148 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 150 4XZ 0.00002 0.00000 -0.00001 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00006 0.00002 0.00000 0.00000 0.00000 155 2S 0.00120 0.00023 0.00028 0.00000 0.00000 156 20 H 1S -0.00081 0.00003 -0.00026 0.00000 0.00000 157 2S -0.00194 0.00021 -0.00063 -0.00004 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00005 0.00000 0.00001 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00024 0.00001 -0.00003 0.00000 0.00000 166 3PX 0.00030 0.00004 0.00002 0.00000 0.00000 167 3PY -0.00003 0.00001 0.00000 0.00000 0.00000 168 3PZ -0.00005 0.00000 0.00003 0.00000 0.00000 169 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00006 0.00001 0.00000 0.00000 0.00000 181 3PX 0.00032 0.00005 -0.00003 0.00000 0.00000 182 3PY 0.00002 0.00000 0.00001 0.00000 0.00000 183 3PZ -0.00004 0.00000 -0.00001 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 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 0.00160 0.00114 0.00172 0.00226 0.21693 51 2S 0.00254 0.00027 0.00030 0.00052 0.11783 52 7 C 1S 0.00000 -0.00008 -0.00009 -0.00007 0.00000 53 2S 0.00001 0.00083 0.00096 0.00068 -0.00020 54 2PX 0.00041 0.00020 0.00031 0.00124 -0.00035 55 2PY 0.00025 -0.00002 0.00105 -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 0.00000 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 0.00003 0.00000 -0.00001 -0.00004 0.00000 75 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 76 3PY -0.00002 0.00000 -0.00002 0.00001 0.00000 77 3PZ 0.00003 -0.00003 0.00000 -0.00001 0.00000 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 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00001 0.00000 0.00000 90 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00006 0.00000 0.00005 0.00000 0.00000 93 3S 0.00019 0.00000 0.00008 -0.00001 0.00008 94 3PX 0.00015 0.00000 0.00001 0.00000 0.00002 95 3PY -0.00001 -0.00003 0.00000 -0.00001 0.00001 96 3PZ 0.00050 -0.00001 0.00018 0.00000 0.00020 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 -0.00004 0.00000 -0.00001 -0.00001 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00001 143 3PX -0.00009 0.00000 0.00000 0.00000 0.00001 144 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00002 -0.00001 0.00000 0.00000 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.17164 52 7 C 1S 0.00026 2.05499 53 2S -0.00342 -0.01344 0.32633 54 2PX -0.00577 0.00000 0.00000 0.35439 55 2PY 0.00001 0.00000 0.00000 0.00000 0.41151 56 2PZ -0.00550 0.00000 0.00000 0.00000 0.00000 57 3S -0.01509 -0.03645 0.23612 0.00000 0.00000 58 3PX -0.01064 0.00000 0.00000 0.11189 0.00000 59 3PY -0.00027 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 0.00105 0.09692 68 2S -0.00589 -0.00121 0.01237 0.00024 0.06457 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 -0.00002 0.00000 -0.00008 71 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 72 2PY 0.00000 0.00000 -0.00011 0.00000 -0.00027 73 2PZ 0.00000 0.00000 -0.00004 0.00000 -0.00004 74 3S -0.00001 0.00000 -0.00058 -0.00039 -0.00336 75 3PX -0.00005 0.00000 -0.00008 0.00020 -0.00018 76 3PY -0.00001 0.00009 -0.00203 -0.00020 -0.00450 77 3PZ -0.00008 0.00000 -0.00047 -0.00018 -0.00023 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 80 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00003 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00006 0.00001 0.00010 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00002 0.00000 0.00009 0.00011 0.00015 88 12 C 1S 0.00000 0.00000 -0.00019 -0.00012 -0.00024 89 2S 0.00008 -0.00020 0.00510 0.00225 0.00423 90 2PX 0.00009 -0.00009 0.00177 0.00002 0.00094 91 2PY 0.00001 -0.00019 0.00371 0.00070 -0.00061 92 2PZ 0.00033 -0.00117 0.02397 0.00790 0.01390 93 3S 0.00142 0.00013 0.00692 0.00564 0.00982 94 3PX 0.00048 -0.00008 0.00179 0.00000 0.00068 95 3PY 0.00015 -0.00024 0.00226 0.00058 0.00034 96 3PZ 0.00283 -0.00127 0.01980 0.00425 0.00822 97 4XX -0.00001 0.00000 -0.00030 0.00003 -0.00007 98 4YY 0.00000 0.00000 -0.00018 -0.00003 -0.00006 99 4ZZ 0.00000 -0.00007 0.00165 0.00057 0.00108 100 4XY 0.00000 0.00000 0.00007 0.00004 0.00000 101 4XZ -0.00001 -0.00002 0.00039 0.00047 0.00020 102 4YZ 0.00000 -0.00005 0.00082 0.00023 0.00005 103 13 H 1S 0.00000 0.00000 -0.00019 0.00001 -0.00001 104 2S -0.00005 0.00018 -0.00332 -0.00013 -0.00012 105 14 H 1S 0.00000 0.00000 -0.00015 -0.00026 0.00000 106 2S -0.00019 0.00020 -0.00288 -0.00585 -0.00011 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 0.00000 0.00000 0.00002 0.00000 113 3PX 0.00000 0.00000 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 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00001 0.00000 -0.00001 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00007 0.00000 -0.00020 -0.00015 -0.00051 128 3PX -0.00003 0.00001 -0.00046 -0.00029 -0.00024 129 3PY -0.00001 -0.00001 0.00003 -0.00009 -0.00035 130 3PZ 0.00004 0.00000 -0.00022 -0.00033 -0.00015 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00008 0.00013 0.00001 139 2PX 0.00009 0.00000 0.00003 0.00204 0.00028 140 2PY 0.00001 0.00000 -0.00002 0.00020 -0.00001 141 2PZ -0.00001 0.00000 0.00007 0.00111 0.00010 142 3S 0.00027 0.00016 -0.00065 0.00234 0.00090 143 3PX 0.00048 0.00003 -0.00040 0.00812 0.00149 144 3PY 0.00001 0.00000 -0.00033 0.00105 0.00026 145 3PZ -0.00021 0.00004 0.00025 0.00632 0.00056 146 4XX 0.00000 0.00000 0.00003 0.00012 0.00002 147 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00007 0.00001 151 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00002 0.00000 0.00002 0.00003 0.00003 156 20 H 1S 0.00000 0.00000 -0.00002 -0.00005 0.00000 157 2S 0.00027 0.00003 -0.00065 -0.00108 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00003 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 -0.00009 0.00000 166 3PX -0.00001 0.00000 -0.00011 -0.00099 -0.00002 167 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 168 3PZ 0.00000 0.00000 -0.00001 -0.00009 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 2PZ 0.38400 57 3S 0.00000 0.30061 58 3PX 0.00000 0.00000 0.12488 59 3PY 0.00000 0.00000 0.00000 0.05321 60 3PZ 0.09697 0.00000 0.00000 0.00000 0.09658 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 0.00070 0.04240 0.00025 0.04296 0.00017 68 2S 0.00049 0.02340 -0.00063 0.04178 -0.00010 69 9 C 1S 0.00000 0.00002 0.00001 0.00005 0.00001 70 2S -0.00005 -0.00040 -0.00009 -0.00095 -0.00046 71 2PX 0.00000 -0.00011 -0.00004 0.00000 0.00005 72 2PY -0.00017 -0.00123 -0.00020 -0.00108 -0.00158 73 2PZ -0.00006 0.00017 -0.00019 0.00178 -0.00044 74 3S 0.00006 -0.00142 -0.00184 -0.00547 0.00200 75 3PX 0.00002 -0.00033 0.00051 -0.00015 0.00022 76 3PY -0.00131 -0.00425 -0.00083 -0.00385 -0.00215 77 3PZ -0.00028 0.00049 -0.00062 0.00275 -0.00015 78 4XX 0.00000 0.00001 0.00001 -0.00005 0.00000 79 4YY 0.00000 0.00002 0.00003 0.00004 -0.00010 80 4ZZ 0.00000 -0.00002 -0.00004 0.00006 0.00006 81 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 82 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 83 4YZ 0.00002 0.00005 0.00002 0.00002 0.00007 84 10 H 1S 0.00000 -0.00001 0.00000 -0.00011 0.00024 85 2S 0.00023 0.00004 0.00006 -0.00014 0.00192 86 11 H 1S 0.00000 0.00004 0.00005 -0.00005 0.00002 87 2S 0.00006 0.00041 0.00088 -0.00025 -0.00009 88 12 C 1S -0.00095 -0.00008 -0.00013 -0.00030 -0.00056 89 2S 0.01884 0.00439 0.00144 0.00327 0.01093 90 2PX 0.00649 0.00232 0.00002 0.00013 0.00151 91 2PY 0.01257 0.00318 0.00032 -0.00170 0.00724 92 2PZ 0.04482 0.02221 0.00379 0.00268 0.01200 93 3S 0.01743 0.00013 0.00758 0.00649 -0.00033 94 3PX 0.00365 0.00180 -0.00074 -0.00003 0.00122 95 3PY 0.00760 0.00225 0.00009 -0.00189 0.00562 96 3PZ 0.01549 0.01207 0.00263 0.00065 0.00190 97 4XX -0.00038 -0.00096 -0.00026 0.00001 0.00003 98 4YY -0.00029 -0.00038 -0.00014 -0.00034 -0.00005 99 4ZZ 0.00023 0.00238 0.00065 0.00048 -0.00049 100 4XY 0.00021 0.00004 0.00006 0.00001 0.00003 101 4XZ 0.00058 0.00013 0.00053 0.00001 0.00015 102 4YZ 0.00129 0.00035 0.00005 0.00023 0.00018 103 13 H 1S -0.00045 -0.00122 -0.00012 0.00015 -0.00578 104 2S -0.00666 -0.00380 -0.00091 0.00030 -0.01806 105 14 H 1S -0.00029 -0.00231 -0.00206 0.00009 0.00032 106 2S -0.00246 -0.01153 -0.01242 -0.00013 0.00542 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00001 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00002 0.00001 0.00001 -0.00001 110 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00009 0.00016 0.00004 -0.00002 113 3PX 0.00000 0.00002 -0.00008 -0.00005 -0.00002 114 3PY 0.00000 -0.00005 -0.00006 0.00000 0.00000 115 3PZ 0.00000 0.00002 0.00004 0.00002 0.00010 116 4XX 0.00000 -0.00001 -0.00001 -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 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 123 2S 0.00000 -0.00008 -0.00017 -0.00005 -0.00007 124 2PX 0.00000 0.00018 -0.00033 0.00062 0.00000 125 2PY 0.00000 -0.00011 -0.00054 -0.00002 -0.00031 126 2PZ 0.00000 0.00003 -0.00033 0.00023 0.00000 127 3S 0.00013 -0.00008 -0.00065 -0.00001 0.00038 128 3PX -0.00025 0.00010 -0.00161 0.00159 -0.00078 129 3PY 0.00017 -0.00080 0.00022 -0.00060 -0.00008 130 3PZ 0.00000 0.00043 -0.00177 0.00093 -0.00006 131 4XX 0.00000 0.00001 -0.00002 0.00002 -0.00001 132 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 133 4ZZ 0.00000 -0.00001 0.00001 -0.00002 0.00000 134 4XY 0.00000 0.00001 0.00007 0.00002 0.00004 135 4XZ 0.00000 0.00000 -0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00001 0.00005 0.00001 0.00000 137 17 C 1S 0.00000 0.00004 0.00004 -0.00002 -0.00005 138 2S 0.00005 0.00014 -0.00038 0.00039 0.00064 139 2PX 0.00071 0.00061 0.00776 0.00085 0.00475 140 2PY 0.00004 0.00007 0.00087 -0.00007 0.00059 141 2PZ 0.00022 0.00128 0.00549 0.00059 0.00007 142 3S -0.00066 0.00126 0.00244 0.00172 0.00107 143 3PX 0.00512 0.00341 0.01261 0.00220 0.01182 144 3PY 0.00060 0.00015 0.00214 -0.00001 0.00151 145 3PZ 0.00003 0.00207 0.01154 0.00088 -0.00216 146 4XX 0.00006 0.00056 0.00070 0.00021 0.00048 147 4YY 0.00000 -0.00011 -0.00015 -0.00003 -0.00009 148 4ZZ -0.00001 -0.00023 -0.00026 -0.00012 -0.00012 149 4XY 0.00001 -0.00001 0.00006 0.00004 0.00003 150 4XZ 0.00001 0.00006 0.00018 0.00002 0.00001 151 4YZ 0.00000 0.00000 0.00007 0.00001 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00003 -0.00003 -0.00002 0.00000 154 19 H 1S 0.00000 0.00000 0.00004 -0.00001 0.00002 155 2S 0.00003 0.00009 0.00051 -0.00013 0.00041 156 20 H 1S -0.00004 -0.00059 -0.00157 0.00000 -0.00084 157 2S -0.00122 -0.00382 -0.00490 -0.00003 -0.00395 158 21 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 159 2S -0.00001 0.00037 0.00025 0.00025 -0.00019 160 22 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2S 0.00000 0.00004 0.00008 0.00001 -0.00002 162 2PX 0.00000 -0.00039 -0.00078 -0.00007 -0.00008 163 2PY 0.00000 -0.00002 0.00002 0.00001 0.00000 164 2PZ 0.00000 -0.00005 -0.00006 -0.00001 0.00011 165 3S 0.00001 0.00004 0.00079 0.00005 -0.00007 166 3PX -0.00003 -0.00341 -0.00509 -0.00042 -0.00053 167 3PY 0.00000 -0.00013 0.00011 0.00010 -0.00002 168 3PZ 0.00005 -0.00044 -0.00047 -0.00005 0.00119 169 4XX 0.00000 -0.00002 0.00010 0.00000 0.00001 170 4YY 0.00000 0.00002 -0.00003 0.00000 0.00000 171 4ZZ 0.00000 0.00000 -0.00005 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00001 -0.00001 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 177 2PX 0.00000 0.00000 0.00001 -0.00001 0.00000 178 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 -0.00007 -0.00005 -0.00008 -0.00001 181 3PX 0.00000 -0.00007 0.00013 -0.00022 0.00000 182 3PY 0.00000 -0.00007 0.00009 -0.00003 0.00000 183 3PZ 0.00000 -0.00001 0.00000 -0.00002 0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 4XX 0.00149 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 0.00684 -0.00308 0.00002 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00001 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00005 -0.00001 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00002 0.00026 -0.00011 0.00001 0.00000 75 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 76 3PY -0.00003 0.00058 -0.00029 0.00001 -0.00001 77 3PZ -0.00003 0.00000 0.00001 0.00000 0.00000 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 0.00001 -0.00002 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00001 0.00001 0.00000 0.00000 88 12 C 1S 0.00000 0.00001 -0.00008 0.00000 -0.00002 89 2S -0.00025 -0.00028 0.00173 0.00008 0.00027 90 2PX 0.00003 -0.00004 0.00057 0.00002 0.00055 91 2PY -0.00003 -0.00005 0.00113 0.00000 0.00016 92 2PZ -0.00056 -0.00047 -0.00015 0.00023 0.00036 93 3S -0.00076 -0.00147 0.00324 0.00007 0.00015 94 3PX -0.00020 -0.00007 0.00038 0.00002 0.00045 95 3PY -0.00013 -0.00035 0.00081 0.00000 0.00003 96 3PZ -0.00046 -0.00095 0.00011 0.00007 0.00003 97 4XX 0.00002 -0.00001 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00002 -0.00008 0.00000 -0.00001 99 4ZZ -0.00005 -0.00006 0.00007 0.00000 -0.00001 100 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 101 4XZ 0.00000 -0.00001 -0.00007 0.00001 -0.00005 102 4YZ -0.00002 0.00000 -0.00007 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00014 0.00000 0.00002 104 2S -0.00007 -0.00012 0.00070 0.00000 0.00008 105 14 H 1S 0.00003 0.00000 0.00001 0.00000 0.00008 106 2S 0.00057 -0.00014 -0.00023 -0.00001 0.00030 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00002 -0.00002 0.00000 0.00001 128 3PX 0.00010 -0.00002 -0.00004 0.00002 0.00001 129 3PY -0.00008 0.00003 0.00001 0.00000 -0.00001 130 3PZ 0.00007 -0.00001 -0.00002 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00003 0.00000 0.00000 0.00000 0.00002 139 2PX 0.00009 -0.00001 0.00000 0.00003 0.00009 140 2PY 0.00003 0.00000 0.00000 0.00000 0.00002 141 2PZ 0.00004 0.00000 0.00000 0.00001 0.00001 142 3S 0.00037 -0.00017 -0.00001 0.00003 0.00009 143 3PX 0.00046 -0.00022 0.00002 0.00005 0.00022 144 3PY 0.00013 0.00000 -0.00004 0.00000 0.00006 145 3PZ 0.00026 -0.00007 -0.00001 0.00005 0.00001 146 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00006 -0.00002 0.00003 0.00000 0.00002 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00001 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00003 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 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 0.00000 0.00000 0.00000 2.05092 70 2S 0.00001 0.00000 0.00006 -0.01170 0.30682 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00005 0.00000 0.00029 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00004 0.00000 0.00000 74 3S 0.00006 0.00007 0.00130 -0.03425 0.22724 75 3PX 0.00000 0.00000 0.00003 0.00000 0.00000 76 3PY 0.00017 0.00023 0.00301 0.00000 0.00000 77 3PZ 0.00001 0.00000 0.00018 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00141 0.00014 79 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00365 80 4ZZ 0.00000 0.00000 0.00000 -0.00129 -0.00249 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 -0.00001 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.00166 0.02734 85 2S -0.00001 0.00000 -0.00011 -0.00064 0.00994 86 11 H 1S 0.00000 0.00000 0.00000 -0.00170 0.02784 87 2S 0.00000 0.00000 -0.00015 -0.00043 0.00951 88 12 C 1S -0.00004 0.00000 0.00016 0.00000 -0.00013 89 2S 0.00071 -0.00013 -0.00247 -0.00013 0.00349 90 2PX 0.00018 -0.00001 -0.00020 0.00000 0.00000 91 2PY 0.00007 -0.00028 -0.00446 -0.00105 0.02291 92 2PZ 0.00127 -0.00025 -0.00431 0.00000 0.00000 93 3S 0.00037 -0.00400 -0.01623 0.00028 0.00260 94 3PX 0.00004 -0.00014 -0.00051 0.00000 0.00000 95 3PY 0.00015 -0.00097 -0.00527 -0.00147 0.02051 96 3PZ 0.00018 -0.00282 -0.00972 0.00000 0.00000 97 4XX -0.00003 0.00000 -0.00003 0.00000 -0.00023 98 4YY 0.00000 0.00004 0.00065 -0.00011 0.00250 99 4ZZ -0.00002 -0.00001 -0.00038 0.00000 -0.00022 100 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 101 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 102 4YZ 0.00000 0.00004 0.00010 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 -0.00015 0.00000 -0.00013 104 2S -0.00003 -0.00017 -0.00034 0.00013 -0.00208 105 14 H 1S 0.00000 -0.00001 -0.00027 0.00000 -0.00011 106 2S -0.00002 -0.00039 -0.00001 0.00009 -0.00166 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 0.00000 -0.00001 0.00000 -0.00002 113 3PX 0.00000 0.00000 -0.00001 0.00000 0.00002 114 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00001 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00001 0.00000 -0.00001 125 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 127 3S 0.00000 0.00001 0.00040 0.00001 -0.00003 128 3PX 0.00000 -0.00001 0.00008 0.00002 -0.00065 129 3PY 0.00000 0.00003 0.00045 0.00000 -0.00002 130 3PZ 0.00000 0.00000 0.00007 0.00004 -0.00040 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00009 0.00000 0.00000 139 2PX 0.00001 -0.00001 -0.00061 0.00000 0.00000 140 2PY 0.00000 -0.00001 -0.00045 0.00000 0.00000 141 2PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 142 3S 0.00000 -0.00055 -0.00323 0.00000 -0.00017 143 3PX 0.00004 -0.00060 -0.00284 0.00001 -0.00011 144 3PY 0.00000 0.00020 0.00072 0.00000 -0.00002 145 3PZ 0.00000 -0.00018 -0.00110 0.00001 -0.00033 146 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 148 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 -0.00003 0.00000 0.00002 156 20 H 1S 0.00000 0.00000 -0.00011 0.00000 0.00000 157 2S 0.00000 -0.00011 -0.00016 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00001 0.00000 -0.00002 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00002 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00026 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00011 0.00000 0.00001 167 3PY 0.00000 0.00000 0.00012 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 169 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 181 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00005 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 2PX 0.41187 72 2PY 0.00000 0.38124 73 2PZ 0.00000 0.00000 0.38896 74 3S 0.00000 0.00000 0.00000 0.30210 75 3PX 0.10595 0.00000 0.00000 0.00000 0.08585 76 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.10248 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00323 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 0.04266 0.00966 0.04456 0.03402 0.02647 85 2S 0.02850 0.00581 0.02893 0.01332 0.02783 86 11 H 1S 0.07933 0.01254 0.00673 0.03034 0.05115 87 2S 0.05033 0.00744 0.00403 -0.00478 0.04890 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 -0.00004 0.00000 0.00000 0.00000 -0.00093 91 2PY 0.00000 0.07729 0.00000 0.02762 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 -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 104 2S -0.00121 -0.00487 -0.00081 -0.00793 -0.00243 105 14 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 106 2S -0.00196 -0.00464 -0.00003 -0.00090 -0.00407 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00001 -0.00004 109 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00005 110 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00006 112 3S -0.00006 0.00000 0.00000 -0.00008 -0.00026 113 3PX 0.00014 0.00002 0.00001 0.00016 0.00044 114 3PY 0.00003 0.00000 0.00000 0.00001 -0.00001 115 3PZ -0.00013 0.00001 0.00000 -0.00013 -0.00058 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 123 2S -0.00001 0.00000 -0.00001 -0.00015 -0.00016 124 2PX -0.00001 0.00000 -0.00003 -0.00017 -0.00018 125 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 126 2PZ -0.00002 0.00000 -0.00004 -0.00002 0.00018 127 3S -0.00003 -0.00001 0.00044 0.00071 -0.00008 128 3PX -0.00038 0.00000 -0.00139 -0.00064 -0.00045 129 3PY -0.00001 -0.00002 -0.00005 -0.00007 -0.00004 130 3PZ -0.00034 0.00000 -0.00007 0.00100 -0.00007 131 4XX 0.00000 0.00000 0.00000 0.00004 0.00004 132 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00001 133 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00003 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 -0.00007 0.00001 139 2PX 0.00000 0.00000 0.00000 -0.00023 0.00009 140 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00002 141 2PZ 0.00000 0.00000 0.00000 -0.00031 0.00010 142 3S 0.00000 -0.00002 -0.00038 -0.00190 0.00017 143 3PX 0.00007 -0.00012 -0.00016 -0.00155 0.00026 144 3PY -0.00009 0.00002 -0.00014 -0.00028 -0.00044 145 3PZ 0.00003 -0.00001 -0.00046 -0.00263 0.00062 146 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00002 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00002 155 2S 0.00001 0.00000 0.00004 -0.00002 -0.00010 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00014 -0.00002 158 21 H 1S 0.00000 0.00000 0.00000 -0.00008 -0.00006 159 2S 0.00018 -0.00001 0.00000 -0.00056 0.00109 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00002 -0.00001 163 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 164 2PZ 0.00000 0.00000 0.00000 0.00001 0.00002 165 3S 0.00000 0.00000 0.00000 0.00006 -0.00005 166 3PX 0.00000 0.00000 0.00001 0.00035 -0.00009 167 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00024 168 3PZ 0.00000 0.00000 0.00000 0.00015 0.00012 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 -0.00009 -0.00007 177 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00019 178 2PY 0.00000 0.00000 0.00000 0.00002 0.00004 179 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00031 180 3S -0.00010 0.00000 -0.00004 -0.00078 -0.00100 181 3PX -0.00014 -0.00001 -0.00005 -0.00049 -0.00116 182 3PY 0.00000 0.00000 -0.00001 0.00015 0.00019 183 3PZ -0.00010 -0.00001 0.00002 -0.00046 -0.00169 184 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 185 4YY 0.00000 0.00000 0.00000 0.00001 0.00002 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 189 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 76 77 78 79 80 76 3PY 0.08588 77 3PZ 0.00000 0.09074 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 0.00710 0.02917 0.00062 -0.00087 0.00098 85 2S 0.00656 0.02844 0.00050 -0.00155 0.00172 86 11 H 1S 0.00787 0.00549 0.00438 -0.00079 -0.00093 87 2S 0.00646 0.00408 0.00431 -0.00101 -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 0.00000 -0.00123 0.00000 0.00000 0.00000 93 3S 0.01958 0.00000 -0.00079 0.00369 -0.00124 94 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 3PY 0.01442 0.00000 -0.00111 0.00189 -0.00167 96 3PZ 0.00000 -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 -0.00202 -0.00076 0.00000 0.00003 0.00000 104 2S -0.00760 -0.00160 0.00013 -0.00003 0.00003 105 14 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 106 2S -0.00870 -0.00031 -0.00005 -0.00016 0.00020 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 -0.00001 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 0.00001 -0.00001 0.00000 0.00000 0.00000 113 3PX 0.00013 0.00005 0.00000 0.00000 0.00000 114 3PY -0.00001 0.00002 0.00000 0.00000 0.00000 115 3PZ 0.00006 -0.00007 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00001 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 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00035 0.00000 0.00000 0.00000 124 2PX 0.00001 -0.00008 0.00000 0.00000 0.00000 125 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00002 -0.00037 0.00000 0.00000 0.00001 127 3S 0.00000 0.00096 0.00000 -0.00002 0.00004 128 3PX 0.00004 -0.00201 -0.00002 -0.00004 0.00017 129 3PY -0.00002 -0.00009 0.00000 0.00000 0.00000 130 3PZ 0.00005 0.00026 -0.00006 -0.00006 0.00016 131 4XX 0.00000 -0.00011 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00015 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 136 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00007 -0.00029 0.00000 0.00000 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00016 -0.00029 0.00000 0.00000 0.00000 142 3S -0.00011 -0.00170 0.00001 0.00000 0.00000 143 3PX -0.00060 -0.00095 0.00001 -0.00001 0.00000 144 3PY 0.00001 -0.00014 0.00000 0.00001 -0.00001 145 3PZ -0.00038 -0.00168 0.00002 -0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00002 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 155 2S 0.00003 0.00049 0.00000 0.00000 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00008 0.00006 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00010 0.00006 0.00001 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 165 3S -0.00001 0.00012 0.00000 0.00000 0.00000 166 3PX -0.00017 0.00008 0.00000 0.00000 0.00000 167 3PY -0.00002 0.00010 0.00000 0.00000 0.00000 168 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S -0.00001 0.00001 0.00000 0.00000 0.00000 177 2PX -0.00004 0.00028 0.00000 0.00000 0.00000 178 2PY -0.00002 -0.00002 0.00000 0.00000 0.00000 179 2PZ -0.00004 0.00019 0.00000 0.00000 0.00000 180 3S -0.00007 -0.00014 0.00000 0.00000 0.00000 181 3PX -0.00026 0.00167 0.00001 0.00000 -0.00001 182 3PY -0.00015 -0.00013 0.00000 0.00000 0.00000 183 3PZ -0.00024 0.00090 0.00000 0.00000 -0.00001 184 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 185 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4XY 0.00096 82 4XZ 0.00000 0.00130 83 4YZ 0.00000 0.00000 0.00091 84 10 H 1S 0.00087 0.00338 0.00098 0.21529 85 2S 0.00021 0.00078 0.00021 0.11394 0.15893 86 11 H 1S 0.00195 0.00104 0.00021 -0.00052 -0.00817 87 2S 0.00042 0.00029 0.00003 -0.00841 -0.02546 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 -0.00793 94 3PX 0.00074 0.00000 0.00000 -0.00056 -0.00243 95 3PY 0.00000 0.00000 0.00000 -0.00202 -0.00760 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 0.00003 0.00000 0.00003 -0.00005 -0.00202 104 2S 0.00017 -0.00003 0.00015 -0.00202 -0.00835 105 14 H 1S 0.00005 0.00000 0.00000 0.00000 0.00038 106 2S 0.00028 -0.00001 0.00002 0.00041 0.00361 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 0.00000 0.00000 0.00000 0.00002 113 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00001 124 2PX 0.00000 0.00001 0.00000 0.00000 0.00005 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00001 0.00000 0.00000 0.00007 127 3S 0.00000 0.00002 0.00000 0.00000 0.00004 128 3PX 0.00000 0.00009 0.00000 0.00004 0.00100 129 3PY 0.00000 0.00000 -0.00001 0.00000 0.00008 130 3PZ 0.00000 0.00014 0.00000 0.00002 0.00076 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00001 0.00001 0.00000 0.00012 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 145 3PZ 0.00000 0.00001 0.00001 0.00000 0.00015 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00008 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00004 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.11187 0.16629 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 0.41187 91 2PY -0.00032 -0.00464 0.00000 0.00000 0.00000 92 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 93 3S -0.00122 -0.00090 -0.03425 0.22724 0.00000 94 3PX -0.00112 -0.00407 0.00000 0.00000 0.10595 95 3PY -0.00278 -0.00870 0.00000 0.00000 0.00000 96 3PZ -0.00020 -0.00031 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 -0.00249 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 0.00000 0.00041 -0.00166 0.02734 0.04266 104 2S 0.00038 0.00361 -0.00064 0.00994 0.02850 105 14 H 1S -0.00003 -0.00165 -0.00170 0.02784 0.07933 106 2S -0.00165 -0.00908 -0.00043 0.00951 0.05033 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 109 2PX 0.00000 -0.00018 0.00000 0.00000 0.00000 110 2PY 0.00000 -0.00006 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 3S -0.00011 -0.00101 0.00000 -0.00002 -0.00006 113 3PX 0.00017 0.00046 0.00000 0.00002 0.00014 114 3PY 0.00009 0.00062 0.00000 0.00000 0.00003 115 3PZ -0.00022 0.00006 0.00000 -0.00001 -0.00013 116 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00002 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 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00017 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00012 0.00000 0.00000 0.00000 125 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 126 2PZ -0.00001 -0.00126 0.00000 0.00000 0.00000 127 3S -0.00007 -0.00144 0.00000 -0.00017 0.00000 128 3PX -0.00022 -0.00106 0.00001 -0.00011 0.00007 129 3PY -0.00006 -0.00020 0.00000 -0.00002 -0.00009 130 3PZ -0.00067 -0.00526 0.00001 -0.00033 0.00003 131 4XX 0.00000 -0.00007 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00011 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00002 0.00000 0.00000 -0.00001 139 2PX 0.00000 -0.00001 0.00000 -0.00001 -0.00001 140 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 141 2PZ 0.00000 -0.00001 0.00000 -0.00002 -0.00002 142 3S 0.00000 0.00028 0.00001 -0.00003 -0.00003 143 3PX 0.00002 0.00011 0.00002 -0.00065 -0.00038 144 3PY -0.00004 0.00013 0.00000 -0.00002 -0.00001 145 3PZ 0.00001 0.00001 0.00004 -0.00040 -0.00034 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00001 0.00025 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 155 2S 0.00001 0.00048 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00005 0.00000 0.00002 0.00001 158 21 H 1S 0.00000 -0.00038 0.00000 0.00000 0.00000 159 2S 0.00030 -0.00172 0.00000 -0.00002 0.00018 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3S 0.00000 0.00016 0.00000 -0.00001 -0.00010 166 3PX 0.00000 -0.00013 0.00000 -0.00005 -0.00014 167 3PY 0.00000 0.00017 0.00000 0.00000 0.00000 168 3PZ 0.00000 -0.00008 0.00000 -0.00002 -0.00010 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2S 0.00000 0.00014 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00058 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00128 0.00000 0.00000 0.00000 180 3S -0.00014 0.00092 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00353 0.00000 0.00001 0.00000 182 3PY 0.00000 0.00007 0.00000 0.00000 0.00000 183 3PZ -0.00002 0.00671 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 -0.00008 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00004 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 2PY 0.38124 92 2PZ 0.00000 0.38896 93 3S 0.00000 0.00000 0.30210 94 3PX 0.00000 0.00000 0.00000 0.08585 95 3PY 0.09886 0.00000 0.00000 0.00000 0.08588 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 0.00966 0.04456 0.03402 0.02647 0.00710 104 2S 0.00581 0.02893 0.01332 0.02783 0.00656 105 14 H 1S 0.01254 0.00673 0.03034 0.05115 0.00787 106 2S 0.00744 0.00404 -0.00478 0.04890 0.00646 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 -0.00004 0.00000 109 2PX 0.00000 0.00000 -0.00002 -0.00005 0.00000 110 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00000 -0.00003 -0.00006 0.00001 112 3S 0.00000 0.00000 -0.00008 -0.00026 0.00001 113 3PX 0.00002 0.00001 0.00016 0.00044 0.00013 114 3PY 0.00000 0.00000 0.00001 -0.00001 -0.00001 115 3PZ 0.00001 0.00000 -0.00013 -0.00058 0.00006 116 4XX 0.00000 0.00000 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00007 0.00001 0.00001 124 2PX 0.00000 0.00000 -0.00023 0.00009 -0.00007 125 2PY 0.00000 0.00000 -0.00005 -0.00002 0.00001 126 2PZ 0.00000 0.00000 -0.00031 0.00010 -0.00016 127 3S -0.00002 -0.00038 -0.00190 0.00017 -0.00011 128 3PX -0.00012 -0.00016 -0.00155 0.00026 -0.00060 129 3PY 0.00002 -0.00014 -0.00028 -0.00044 0.00001 130 3PZ -0.00001 -0.00046 -0.00263 0.00062 -0.00038 131 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 138 2S 0.00000 -0.00001 -0.00015 -0.00016 0.00000 139 2PX 0.00000 -0.00003 -0.00017 -0.00018 0.00001 140 2PY 0.00000 0.00000 0.00000 -0.00001 0.00003 141 2PZ 0.00000 -0.00004 -0.00002 0.00018 0.00002 142 3S -0.00001 0.00044 0.00071 -0.00008 0.00000 143 3PX 0.00000 -0.00139 -0.00064 -0.00045 0.00004 144 3PY -0.00002 -0.00005 -0.00007 -0.00004 -0.00002 145 3PZ 0.00000 -0.00007 0.00100 -0.00007 0.00005 146 4XX 0.00000 0.00000 0.00004 0.00004 0.00000 147 4YY 0.00000 0.00000 -0.00002 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00001 -0.00003 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00002 0.00001 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00014 -0.00002 0.00008 156 20 H 1S 0.00000 0.00000 -0.00001 -0.00002 0.00000 157 2S 0.00000 0.00004 -0.00002 -0.00010 0.00003 158 21 H 1S 0.00000 0.00000 -0.00008 -0.00006 0.00000 159 2S -0.00001 0.00000 -0.00056 0.00109 -0.00010 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 -0.00009 -0.00007 -0.00001 162 2PX 0.00000 0.00000 -0.00006 -0.00019 -0.00004 163 2PY 0.00000 0.00000 0.00002 0.00004 -0.00002 164 2PZ 0.00000 0.00000 -0.00006 -0.00031 -0.00004 165 3S 0.00000 -0.00004 -0.00078 -0.00100 -0.00007 166 3PX -0.00001 -0.00005 -0.00049 -0.00116 -0.00026 167 3PY 0.00000 -0.00001 0.00015 0.00019 -0.00015 168 3PZ -0.00001 0.00002 -0.00046 -0.00169 -0.00024 169 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 170 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00001 0.00002 0.00000 174 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00002 -0.00001 -0.00002 178 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 179 2PZ 0.00000 0.00000 0.00001 0.00002 -0.00001 180 3S 0.00000 0.00000 0.00006 -0.00005 -0.00001 181 3PX 0.00000 0.00001 0.00035 -0.00009 -0.00017 182 3PY 0.00000 0.00000 -0.00004 -0.00024 -0.00002 183 3PZ 0.00000 0.00000 0.00015 0.00012 -0.00007 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 3PZ 0.09074 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 0.02917 0.00062 -0.00087 0.00098 0.00087 104 2S 0.02844 0.00050 -0.00155 0.00172 0.00021 105 14 H 1S 0.00549 0.00438 -0.00079 -0.00093 0.00195 106 2S 0.00408 0.00431 -0.00101 -0.00230 0.00042 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 0.00000 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00005 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00004 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00029 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ -0.00029 0.00000 0.00000 0.00000 0.00000 127 3S -0.00170 0.00001 0.00000 0.00000 0.00000 128 3PX -0.00095 0.00001 -0.00001 0.00000 0.00000 129 3PY -0.00014 0.00000 0.00001 -0.00001 0.00000 130 3PZ -0.00168 0.00002 -0.00001 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 138 2S -0.00035 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00037 0.00000 0.00000 0.00001 0.00000 142 3S 0.00096 0.00000 -0.00002 0.00004 0.00000 143 3PX -0.00201 -0.00002 -0.00004 0.00017 0.00000 144 3PY -0.00009 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00026 -0.00006 -0.00006 0.00016 0.00000 146 4XX -0.00011 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00015 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00002 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00006 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 157 2S 0.00049 0.00000 0.00000 -0.00001 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00006 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00001 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00028 0.00000 0.00000 0.00000 0.00000 163 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00019 0.00000 0.00000 0.00000 0.00000 165 3S -0.00014 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00167 0.00001 0.00000 -0.00001 0.00000 167 3PY -0.00013 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00090 0.00000 0.00000 -0.00001 0.00000 169 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 170 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00012 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00008 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00010 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 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 0.00338 0.00098 0.21529 104 2S 0.00078 0.00021 0.11394 0.15893 105 14 H 1S 0.00104 0.00021 -0.00052 -0.00817 0.21593 106 2S 0.00029 0.00003 -0.00841 -0.02546 0.11187 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 0.00000 0.00000 0.00002 -0.00011 113 3PX 0.00000 0.00000 0.00000 -0.00002 0.00017 114 3PY 0.00000 0.00000 0.00000 -0.00001 0.00009 115 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00022 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00001 0.00000 0.00012 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00003 0.00002 129 3PY 0.00000 0.00000 0.00000 0.00003 -0.00004 130 3PZ 0.00001 0.00001 0.00000 0.00015 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00001 0.00000 139 2PX 0.00001 0.00000 0.00000 0.00005 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00001 0.00000 0.00000 0.00007 -0.00001 142 3S 0.00002 0.00000 0.00000 0.00004 -0.00007 143 3PX 0.00009 0.00000 0.00004 0.00100 -0.00022 144 3PY 0.00000 -0.00001 0.00000 0.00008 -0.00006 145 3PZ 0.00014 0.00000 0.00002 0.00076 -0.00067 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00006 0.00001 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00008 0.00030 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00004 -0.00014 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 -0.00002 -0.00002 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.16629 107 15 C 1S 0.00001 2.04980 108 2S -0.00016 -0.01427 0.34291 109 2PX -0.00018 0.00000 0.00000 0.42805 110 2PY -0.00006 0.00000 0.00000 0.00000 0.29269 111 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 112 3S -0.00101 -0.02762 0.21128 0.00000 0.00000 113 3PX 0.00046 0.00000 0.00000 0.08854 0.00000 114 3PY 0.00062 0.00000 0.00000 0.00000 0.04043 115 3PZ 0.00006 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00004 -0.00141 0.00019 0.00000 0.00000 117 4YY 0.00002 -0.00104 -0.00728 0.00000 0.00000 118 4ZZ -0.00005 -0.00140 -0.00031 0.00000 0.00000 119 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00002 0.00000 -0.00016 -0.00038 -0.00003 124 2PX -0.00001 0.00000 -0.00030 -0.00036 -0.00032 125 2PY 0.00004 0.00000 -0.00018 -0.00014 0.00000 126 2PZ -0.00001 0.00000 -0.00012 -0.00041 -0.00029 127 3S 0.00028 0.00006 -0.00090 -0.00264 0.00040 128 3PX 0.00011 0.00014 -0.00167 -0.00116 -0.00157 129 3PY 0.00013 0.00007 -0.00102 -0.00012 -0.00078 130 3PZ 0.00001 0.00002 0.00026 -0.00122 -0.00112 131 4XX 0.00000 0.00000 0.00001 0.00005 0.00000 132 4YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 133 4ZZ 0.00000 0.00000 0.00002 0.00006 0.00003 134 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 135 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 136 4YZ -0.00001 0.00000 0.00002 0.00004 0.00000 137 17 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 138 2S -0.00017 0.00000 -0.00016 -0.00038 -0.00003 139 2PX -0.00012 0.00000 -0.00030 -0.00036 -0.00032 140 2PY -0.00003 0.00000 -0.00018 -0.00014 0.00000 141 2PZ -0.00126 0.00000 -0.00012 -0.00041 -0.00029 142 3S -0.00144 0.00006 -0.00090 -0.00264 0.00040 143 3PX -0.00106 0.00014 -0.00167 -0.00116 -0.00157 144 3PY -0.00020 0.00007 -0.00102 -0.00012 -0.00078 145 3PZ -0.00526 0.00002 0.00026 -0.00122 -0.00112 146 4XX -0.00007 0.00000 0.00001 0.00005 0.00000 147 4YY 0.00002 0.00000 -0.00001 -0.00002 0.00000 148 4ZZ 0.00011 0.00000 0.00002 0.00006 0.00003 149 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 151 4YZ 0.00000 0.00000 0.00002 0.00004 0.00000 152 18 H 1S 0.00001 -0.00189 0.03335 0.09741 0.00000 153 2S 0.00025 -0.00112 0.01682 0.05688 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00005 0.00000 0.00020 0.00020 0.00017 156 20 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 157 2S 0.00048 0.00000 0.00020 0.00020 0.00017 158 21 H 1S -0.00038 -0.00189 0.03298 0.00488 0.00000 159 2S -0.00172 -0.00105 0.01599 0.00409 0.00000 160 22 O 1S -0.00001 0.00000 -0.00001 -0.00012 -0.00042 161 2S 0.00014 -0.00001 0.00022 0.00238 0.00832 162 2PX 0.00058 -0.00005 0.00251 -0.00016 0.00934 163 2PY 0.00001 -0.00022 0.01257 0.01062 0.02342 164 2PZ 0.00128 -0.00005 0.00249 0.00213 0.01090 165 3S 0.00092 0.00084 -0.01440 0.00278 0.00788 166 3PX 0.00353 -0.00032 0.00324 -0.00392 0.00863 167 3PY 0.00007 -0.00300 0.02932 0.01402 0.01970 168 3PZ 0.00671 -0.00029 0.00287 0.00123 0.01198 169 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 170 4YY -0.00008 -0.00016 0.00280 0.00180 0.00191 171 4ZZ 0.00005 0.00000 -0.00007 0.00002 -0.00017 172 4XY 0.00000 -0.00006 0.00071 0.00006 0.00036 173 4XZ 0.00004 -0.00001 0.00011 0.00003 0.00010 174 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 175 23 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 176 2S 0.00001 -0.00001 0.00022 0.00238 0.00832 177 2PX -0.00001 -0.00005 0.00251 -0.00016 0.00934 178 2PY 0.00001 -0.00022 0.01256 0.01062 0.02341 179 2PZ -0.00001 -0.00005 0.00249 0.00213 0.01090 180 3S 0.00016 0.00084 -0.01440 0.00278 0.00788 181 3PX -0.00013 -0.00032 0.00324 -0.00392 0.00863 182 3PY 0.00017 -0.00300 0.02932 0.01402 0.01970 183 3PZ -0.00008 -0.00029 0.00287 0.00123 0.01198 184 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 185 4YY 0.00000 -0.00016 0.00280 0.00180 0.00191 186 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 187 4XY 0.00000 -0.00006 0.00071 0.00006 0.00036 188 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 189 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 111 112 113 114 115 111 2PZ 0.42487 112 3S 0.00000 0.23348 113 3PX 0.00000 0.00000 0.06207 114 3PY 0.00000 0.00000 0.00000 0.02606 115 3PZ 0.08272 0.00000 0.00000 0.00000 0.06494 116 4XX 0.00000 0.00151 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00812 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00201 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 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 123 2S -0.00024 -0.00098 -0.00203 -0.00026 -0.00154 124 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00361 125 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 126 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 127 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 128 3PX -0.00288 -0.00488 -0.00073 -0.00141 -0.00620 129 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 130 3PZ 0.00021 0.00277 -0.00117 -0.00109 0.00048 131 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 132 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 133 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 134 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 135 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 136 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 137 17 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 138 2S -0.00024 -0.00098 -0.00203 -0.00026 -0.00154 139 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00361 140 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 141 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 142 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 143 3PX -0.00288 -0.00488 -0.00073 -0.00141 -0.00620 144 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 145 3PZ 0.00021 0.00277 -0.00116 -0.00109 0.00048 146 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 147 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 148 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 149 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 150 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 151 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 152 18 H 1S 0.00385 0.03985 0.04873 0.00000 0.00026 153 2S 0.00314 0.02109 0.04010 0.00000 -0.00020 154 19 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 155 2S 0.00029 0.00131 0.00123 0.00115 0.00056 156 20 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 157 2S 0.00029 0.00131 0.00123 0.00115 0.00056 158 21 H 1S 0.09572 0.04348 0.00168 0.00000 0.04186 159 2S 0.05685 0.03018 0.00184 0.00000 0.02575 160 22 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 161 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00118 162 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 163 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 164 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 165 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00504 166 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 167 3PY 0.01545 0.02200 0.00668 -0.00009 0.00682 168 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00837 169 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 170 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 171 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 172 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 173 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 174 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 175 23 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 176 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00118 177 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 178 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 179 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 180 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00504 181 3PX 0.00160 0.00174 0.00062 0.00455 0.00430 182 3PY 0.01545 0.02200 0.00668 -0.00009 0.00682 183 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00837 184 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 185 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 186 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 187 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 188 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 189 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00041 0.00343 118 4ZZ -0.00055 -0.00046 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 124 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 125 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 126 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 127 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 128 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 129 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 130 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 131 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 139 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 140 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 141 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 142 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 143 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 144 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 145 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00897 -0.00137 -0.00146 0.00000 0.00049 153 2S 0.00902 -0.00240 -0.00536 0.00000 0.00008 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 158 21 H 1S -0.00142 -0.00145 0.00894 0.00000 0.00061 159 2S -0.00569 -0.00314 0.01031 0.00000 0.00010 160 22 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 161 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 162 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 163 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 164 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 165 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 166 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 167 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 168 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 169 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 170 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 171 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 172 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 173 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 175 23 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 176 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 177 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 178 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 179 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 180 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 181 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 182 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 183 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 184 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 185 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 186 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 187 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 188 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S 0.00000 -0.01389 0.33288 124 2PX 0.00004 0.00000 0.00000 0.34621 125 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 126 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 128 3PX 0.00002 0.00000 0.00000 0.09507 0.00000 129 3PY -0.00005 0.00000 0.00000 0.00000 0.07004 130 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00001 -0.00093 -0.00929 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 133 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 138 2S 0.00000 -0.00065 0.01384 0.00000 0.04297 139 2PX 0.00004 0.00000 0.00000 0.01640 0.00000 140 2PY 0.00000 -0.00286 0.04297 0.00000 0.10300 141 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00011 0.00956 0.00000 0.03203 143 3PX 0.00002 0.00000 0.00000 0.02166 0.00000 144 3PY -0.00005 -0.00013 0.01037 0.00000 0.01886 145 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00001 0.00000 -0.00061 0.00000 -0.00167 147 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 148 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 149 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00017 0.00068 0.00002 154 19 H 1S 0.00000 -0.00236 0.03823 0.00581 0.03853 155 2S 0.00000 -0.00192 0.02241 0.00247 0.02222 156 20 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 157 2S 0.00000 0.00024 -0.00382 -0.00027 -0.00595 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00009 -0.00002 -0.00002 160 22 O 1S -0.00005 0.00000 0.00000 0.00000 0.00000 161 2S 0.00114 0.00000 -0.00003 -0.00003 -0.00007 162 2PX 0.00132 0.00000 -0.00005 0.00010 -0.00012 163 2PY 0.00250 0.00000 -0.00016 -0.00010 -0.00034 164 2PZ -0.00012 0.00000 0.00000 -0.00008 -0.00014 165 3S 0.00088 -0.00001 -0.00015 -0.00043 0.00138 166 3PX 0.00085 0.00004 -0.00104 0.00070 -0.00111 167 3PY 0.00103 0.00011 -0.00329 -0.00122 -0.00346 168 3PZ 0.00059 -0.00001 0.00015 -0.00130 -0.00196 169 4XX -0.00006 0.00000 0.00000 -0.00001 -0.00005 170 4YY 0.00018 0.00000 -0.00003 -0.00001 -0.00005 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 172 4XY 0.00007 0.00000 0.00002 0.00002 0.00012 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 175 23 O 1S -0.00005 0.00000 -0.00006 -0.00048 -0.00006 176 2S 0.00114 -0.00002 0.00104 0.00849 0.00171 177 2PX 0.00132 -0.00024 0.01219 0.01590 0.00661 178 2PY 0.00250 -0.00005 0.00218 0.00602 -0.00067 179 2PZ -0.00012 -0.00011 0.00477 0.01887 0.00318 180 3S 0.00088 0.00061 -0.00735 0.01469 -0.00371 181 3PX 0.00085 -0.00226 0.02342 0.01029 0.00755 182 3PY 0.00103 -0.00071 0.00625 0.00942 -0.00375 183 3PZ 0.00059 -0.00096 0.00742 0.01888 0.00399 184 4XX -0.00006 -0.00009 0.00127 -0.00098 0.00104 185 4YY 0.00018 -0.00001 0.00012 0.00061 0.00000 186 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 187 4XY 0.00007 -0.00008 0.00088 0.00084 0.00020 188 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 189 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 126 127 128 129 130 126 2PZ 0.37882 127 3S 0.00000 0.30238 128 3PX 0.00000 0.00000 0.10751 129 3PY 0.00000 0.00000 0.00000 0.05313 130 3PZ 0.09297 0.00000 0.00000 0.00000 0.09326 131 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 138 2S 0.00000 0.00956 0.00000 0.01037 0.00000 139 2PX 0.00000 0.00000 0.02166 0.00000 0.00000 140 2PY 0.00000 0.03203 0.00000 0.01886 0.00000 141 2PZ 0.01211 0.00000 0.00000 0.00000 0.01873 142 3S 0.00000 -0.01174 0.00000 -0.00774 0.00000 143 3PX 0.00000 0.00000 0.02493 0.00000 0.00000 144 3PY 0.00000 -0.00774 0.00000 0.00238 0.00000 145 3PZ 0.01873 0.00000 0.00000 0.00000 0.02710 146 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 147 4YY 0.00000 0.00361 0.00000 0.00143 0.00000 148 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 149 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 152 18 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 153 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 154 19 H 1S 0.05489 0.05282 0.00177 0.01253 0.02525 155 2S 0.03132 0.03771 -0.00039 0.01031 0.02356 156 20 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 157 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 158 21 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 159 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 160 22 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 161 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 162 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 163 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 164 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 165 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 166 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 167 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 168 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 169 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 170 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 171 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 172 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 175 23 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 176 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 177 2PX 0.01963 0.00361 0.00059 0.00087 0.00354 178 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 179 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 180 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 181 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 182 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 183 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 184 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 185 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 186 4ZZ -0.00046 0.00073 0.00113 0.00015 -0.00059 187 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 188 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 189 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00027 0.00124 133 4ZZ -0.00019 -0.00008 0.00166 134 4XY 0.00000 0.00000 0.00000 0.00146 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 138 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 140 2PY -0.00167 0.00315 -0.00128 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 144 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 147 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 148 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00009 0.00001 0.00003 0.00000 0.00001 154 19 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 155 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 163 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 165 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 166 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 167 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 168 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 176 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 177 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 178 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 179 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 180 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 181 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 182 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 183 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 184 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 185 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 186 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 187 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 188 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 189 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00000 2.05255 138 2S 0.00000 -0.01389 0.33288 139 2PX 0.00000 0.00000 0.00000 0.34621 140 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 141 2PZ 0.00234 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.09507 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.07004 145 3PZ 0.00113 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 147 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 148 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ -0.00018 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00001 0.00000 0.00017 0.00068 0.00002 154 19 H 1S 0.00377 0.00000 -0.00020 -0.00001 -0.00045 155 2S 0.00064 0.00024 -0.00382 -0.00027 -0.00595 156 20 H 1S 0.00004 -0.00236 0.03823 0.00581 0.03854 157 2S 0.00022 -0.00192 0.02241 0.00247 0.02222 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00001 0.00000 0.00009 -0.00002 -0.00002 160 22 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 161 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 162 2PX 0.00001 -0.00024 0.01219 0.01590 0.00661 163 2PY 0.00001 -0.00005 0.00218 0.00602 -0.00067 164 2PZ 0.00000 -0.00011 0.00477 0.01887 0.00318 165 3S 0.00000 0.00061 -0.00735 0.01469 -0.00371 166 3PX 0.00007 -0.00226 0.02342 0.01029 0.00755 167 3PY 0.00009 -0.00071 0.00625 0.00942 -0.00375 168 3PZ -0.00001 -0.00096 0.00742 0.01888 0.00399 169 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 170 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 171 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 172 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 173 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 174 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 175 23 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 176 2S 0.00056 0.00000 -0.00003 -0.00003 -0.00007 177 2PX 0.00116 0.00000 -0.00005 0.00010 -0.00012 178 2PY 0.00016 0.00000 -0.00016 -0.00010 -0.00034 179 2PZ -0.00003 0.00000 0.00000 -0.00008 -0.00014 180 3S 0.00085 -0.00001 -0.00015 -0.00043 0.00138 181 3PX 0.00070 0.00004 -0.00104 0.00070 -0.00111 182 3PY 0.00045 0.00011 -0.00329 -0.00122 -0.00346 183 3PZ 0.00002 -0.00001 0.00015 -0.00130 -0.00196 184 4XX -0.00001 0.00000 0.00000 -0.00001 -0.00005 185 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00005 186 4ZZ -0.00001 0.00000 0.00000 0.00001 -0.00002 187 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 189 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 141 142 143 144 145 141 2PZ 0.37882 142 3S 0.00000 0.30238 143 3PX 0.00000 0.00000 0.10751 144 3PY 0.00000 0.00000 0.00000 0.05313 145 3PZ 0.09297 0.00000 0.00000 0.00000 0.09327 146 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 153 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 154 19 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 155 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 156 20 H 1S 0.05488 0.05282 0.00177 0.01253 0.02525 157 2S 0.03132 0.03771 -0.00039 0.01031 0.02356 158 21 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 159 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 160 22 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 161 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 162 2PX 0.01963 0.00361 0.00059 0.00087 0.00354 163 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 164 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 165 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 166 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 167 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 168 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 169 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 170 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 171 4ZZ -0.00046 0.00073 0.00113 0.00015 -0.00059 172 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 173 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 174 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 175 23 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 176 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 177 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 178 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 179 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 180 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 181 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 182 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 183 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 184 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 185 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 186 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 187 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00027 0.00124 148 4ZZ -0.00019 -0.00008 0.00166 149 4XY 0.00000 0.00000 0.00000 0.00146 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00009 0.00001 0.00003 0.00000 0.00001 154 19 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 155 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 156 20 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 157 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 160 22 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 161 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 162 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 163 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 164 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 165 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 166 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 167 3PY 0.00147 -0.00054 0.00045 0.00071 0.00076 168 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 169 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 170 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 171 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 172 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 173 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 174 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 178 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 180 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 181 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 182 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 183 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S 0.00000 0.22350 153 2S -0.00001 0.11453 0.16571 154 19 H 1S 0.00004 0.00000 0.00000 0.21549 155 2S 0.00022 0.00000 0.00008 0.10062 0.12396 156 20 H 1S 0.00377 0.00000 0.00000 0.00000 -0.00015 157 2S 0.00064 0.00000 0.00008 -0.00015 0.00011 158 21 H 1S 0.00000 -0.00073 -0.01185 0.00000 -0.00001 159 2S 0.00001 -0.01284 -0.04733 -0.00001 -0.00038 160 22 O 1S -0.00003 0.00000 0.00006 0.00000 0.00000 161 2S 0.00056 -0.00005 -0.00107 0.00000 0.00003 162 2PX 0.00116 -0.00023 -0.00553 0.00000 0.00010 163 2PY 0.00016 -0.00003 -0.00102 0.00000 0.00014 164 2PZ -0.00003 0.00003 0.00091 0.00000 -0.00001 165 3S 0.00085 -0.00165 -0.00220 0.00001 0.00029 166 3PX 0.00070 -0.00522 -0.02177 0.00002 0.00085 167 3PY 0.00045 -0.00040 -0.00266 0.00003 0.00122 168 3PZ 0.00002 0.00076 0.00434 0.00000 -0.00018 169 4XX -0.00001 0.00010 0.00072 0.00000 0.00000 170 4YY 0.00001 0.00000 -0.00028 0.00000 0.00002 171 4ZZ -0.00001 -0.00001 -0.00023 0.00000 -0.00001 172 4XY -0.00003 0.00003 -0.00009 0.00000 0.00000 173 4XZ 0.00000 0.00001 0.00002 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00001 0.00000 -0.00001 175 23 O 1S 0.00000 0.00000 0.00006 0.00000 0.00016 176 2S 0.00000 -0.00005 -0.00107 -0.00006 -0.00225 177 2PX 0.00001 -0.00023 -0.00553 -0.00004 -0.00058 178 2PY 0.00001 -0.00003 -0.00102 -0.00001 -0.00012 179 2PZ 0.00000 0.00003 0.00091 -0.00014 -0.00325 180 3S 0.00000 -0.00165 -0.00220 -0.00308 -0.01369 181 3PX 0.00007 -0.00522 -0.02177 -0.00017 0.00033 182 3PY 0.00009 -0.00040 -0.00267 -0.00010 -0.00030 183 3PZ -0.00001 0.00076 0.00434 -0.00288 -0.01157 184 4XX 0.00000 0.00010 0.00072 0.00003 0.00011 185 4YY 0.00000 0.00000 -0.00028 0.00000 0.00015 186 4ZZ 0.00000 -0.00001 -0.00023 0.00008 0.00047 187 4XY 0.00000 0.00003 -0.00009 0.00001 0.00002 188 4XZ 0.00000 0.00001 0.00002 0.00006 0.00007 189 4YZ 0.00000 0.00000 0.00001 0.00001 0.00004 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.10062 0.12396 158 21 H 1S 0.00000 -0.00001 0.22401 159 2S -0.00001 -0.00038 0.12138 0.19878 160 22 O 1S 0.00000 0.00016 0.00000 0.00005 2.07557 161 2S -0.00006 -0.00225 -0.00004 -0.00073 -0.04159 162 2PX -0.00004 -0.00058 0.00002 0.00089 0.00000 163 2PY -0.00001 -0.00012 -0.00003 -0.00090 0.00000 164 2PZ -0.00014 -0.00325 -0.00026 -0.00756 0.00000 165 3S -0.00308 -0.01369 -0.00186 -0.00585 -0.04102 166 3PX -0.00017 0.00033 0.00062 0.00419 0.00000 167 3PY -0.00010 -0.00030 -0.00064 -0.00312 0.00000 168 3PZ -0.00288 -0.01157 -0.00614 -0.03003 0.00000 169 4XX 0.00003 0.00011 -0.00001 -0.00022 -0.00051 170 4YY 0.00000 0.00015 0.00000 -0.00014 -0.00042 171 4ZZ 0.00008 0.00047 0.00009 0.00078 -0.00047 172 4XY 0.00001 0.00002 0.00000 0.00002 0.00000 173 4XZ 0.00006 0.00007 0.00001 0.00003 0.00000 174 4YZ 0.00001 0.00004 0.00003 -0.00016 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00005 0.00000 176 2S 0.00000 0.00003 -0.00004 -0.00073 0.00000 177 2PX 0.00000 0.00010 0.00002 0.00089 0.00000 178 2PY 0.00000 0.00014 -0.00003 -0.00090 0.00000 179 2PZ 0.00000 -0.00001 -0.00026 -0.00756 0.00000 180 3S 0.00001 0.00029 -0.00186 -0.00585 -0.00002 181 3PX 0.00002 0.00085 0.00062 0.00419 0.00000 182 3PY 0.00003 0.00122 -0.00064 -0.00312 0.00002 183 3PZ 0.00000 -0.00018 -0.00614 -0.03003 0.00000 184 4XX 0.00000 0.00000 -0.00001 -0.00022 0.00000 185 4YY 0.00000 0.00002 0.00000 -0.00014 0.00000 186 4ZZ 0.00000 -0.00001 0.00009 0.00078 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 188 4XZ 0.00000 0.00000 0.00001 0.00003 0.00000 189 4YZ 0.00000 -0.00001 0.00003 -0.00016 0.00000 161 162 163 164 165 161 2S 0.50359 162 2PX 0.00000 0.64791 163 2PY 0.00000 0.00000 0.66561 164 2PZ 0.00000 0.00000 0.00000 0.71651 165 3S 0.45246 0.00000 0.00000 0.00000 0.75618 166 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.23211 0.00000 169 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 170 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 171 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 176 2S 0.00000 0.00000 -0.00001 0.00000 0.00039 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY -0.00001 0.00000 -0.00009 0.00000 -0.00113 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00039 0.00000 -0.00113 0.00000 0.00661 181 3PX 0.00000 0.00005 0.00000 0.00000 0.00000 182 3PY -0.00063 0.00000 -0.00629 0.00000 -0.00516 183 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 185 4YY 0.00000 0.00000 0.00001 0.00000 -0.00029 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 3PX 0.26578 167 3PY 0.00000 0.26979 168 3PZ 0.00000 0.00000 0.30850 169 4XX 0.00000 0.00000 0.00000 0.00104 170 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00002 0.00000 0.00000 0.00000 176 2S 0.00000 -0.00063 0.00000 0.00000 0.00000 177 2PX 0.00005 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 -0.00629 0.00000 0.00000 0.00001 179 2PZ 0.00000 0.00000 0.00014 0.00000 0.00000 180 3S 0.00000 -0.00516 0.00000 -0.00002 -0.00029 181 3PX 0.00052 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 -0.02518 0.00000 -0.00006 0.00002 183 3PZ 0.00000 0.00000 0.00163 0.00000 0.00000 184 4XX 0.00000 -0.00006 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00002 0.00000 0.00000 0.00003 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 4ZZ 0.00079 172 4XY 0.00000 0.00161 173 4XZ 0.00000 0.00000 0.00045 174 4YZ 0.00000 0.00000 0.00000 0.00151 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 2.07557 176 2S 0.00000 0.00000 0.00000 0.00000 -0.04159 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00002 0.00000 0.00000 0.00000 -0.04102 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY -0.00005 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00051 185 4YY 0.00000 0.00000 0.00000 0.00000 -0.00042 186 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00047 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 2S 0.50359 177 2PX 0.00000 0.64791 178 2PY 0.00000 0.00000 0.66561 179 2PZ 0.00000 0.00000 0.00000 0.71651 180 3S 0.45246 0.00000 0.00000 0.00000 0.75618 181 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.23211 0.00000 184 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 185 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 186 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 3PX 0.26578 182 3PY 0.00000 0.26980 183 3PZ 0.00000 0.00000 0.30850 184 4XX 0.00000 0.00000 0.00000 0.00104 185 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 186 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 187 188 189 186 4ZZ 0.00079 187 4XY 0.00000 0.00161 188 4XZ 0.00000 0.00000 0.00045 189 4YZ 0.00000 0.00000 0.00000 0.00151 Gross orbital populations: 1 1 1 C 1S 1.99262 2 2S 0.70383 3 2PX 0.61235 4 2PY 0.72535 5 2PZ 0.68245 6 3S 0.59619 7 3PX 0.32769 8 3PY 0.24311 9 3PZ 0.25794 10 4XX -0.01515 11 4YY 0.01157 12 4ZZ -0.00535 13 4XY 0.00395 14 4XZ 0.00662 15 4YZ 0.00631 16 2 H 1S 0.53359 17 2S 0.34361 18 3 C 1S 1.99191 19 2S 0.70501 20 2PX 0.64894 21 2PY 0.74795 22 2PZ 0.68316 23 3S 0.50002 24 3PX 0.32198 25 3PY 0.20203 26 3PZ 0.30108 27 4XX -0.01176 28 4YY 0.00155 29 4ZZ -0.00527 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 0.70501 37 2PX 0.64894 38 2PY 0.74795 39 2PZ 0.68316 40 3S 0.50002 41 3PX 0.32198 42 3PY 0.20203 43 3PZ 0.30108 44 4XX -0.01176 45 4YY 0.00155 46 4ZZ -0.00527 47 4XY 0.00869 48 4XZ 0.00540 49 4YZ 0.00997 50 6 H 1S 0.53307 51 2S 0.35110 52 7 C 1S 1.99262 53 2S 0.70383 54 2PX 0.61235 55 2PY 0.72535 56 2PZ 0.68245 57 3S 0.59619 58 3PX 0.32769 59 3PY 0.24311 60 3PZ 0.25794 61 4XX -0.01515 62 4YY 0.01157 63 4ZZ -0.00535 64 4XY 0.00395 65 4XZ 0.00662 66 4YZ 0.00631 67 8 H 1S 0.53359 68 2S 0.34361 69 9 C 1S 1.99220 70 2S 0.68132 71 2PX 0.72499 72 2PY 0.68460 73 2PZ 0.69614 74 3S 0.58935 75 3PX 0.33284 76 3PY 0.27010 77 3PZ 0.28727 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 0.32409 86 11 H 1S 0.53199 87 2S 0.32147 88 12 C 1S 1.99220 89 2S 0.68132 90 2PX 0.72499 91 2PY 0.68460 92 2PZ 0.69614 93 3S 0.58935 94 3PX 0.33284 95 3PY 0.27009 96 3PZ 0.28728 97 4XX 0.00505 98 4YY -0.00217 99 4ZZ -0.00062 100 4XY 0.00716 101 4XZ 0.00969 102 4YZ 0.00762 103 13 H 1S 0.52953 104 2S 0.32409 105 14 H 1S 0.53199 106 2S 0.32147 107 15 C 1S 1.99193 108 2S 0.70992 109 2PX 0.73003 110 2PY 0.53059 111 2PZ 0.72491 112 3S 0.45533 113 3PX 0.24767 114 3PY 0.09849 115 3PZ 0.23699 116 4XX 0.01406 117 4YY 0.00335 118 4ZZ 0.01373 119 4XY 0.01768 120 4XZ 0.00681 121 4YZ 0.01937 122 16 C 1S 1.99219 123 2S 0.70394 124 2PX 0.59316 125 2PY 0.75709 126 2PZ 0.65430 127 3S 0.49498 128 3PX 0.25385 129 3PY 0.17399 130 3PZ 0.26763 131 4XX -0.00742 132 4YY 0.00527 133 4ZZ -0.00003 134 4XY 0.01112 135 4XZ 0.01091 136 4YZ 0.01425 137 17 C 1S 1.99219 138 2S 0.70394 139 2PX 0.59316 140 2PY 0.75709 141 2PZ 0.65430 142 3S 0.49498 143 3PX 0.25385 144 3PY 0.17399 145 3PZ 0.26763 146 4XX -0.00742 147 4YY 0.00527 148 4ZZ -0.00003 149 4XY 0.01112 150 4XZ 0.01091 151 4YZ 0.01425 152 18 H 1S 0.54013 153 2S 0.30933 154 19 H 1S 0.52970 155 2S 0.30213 156 20 H 1S 0.52970 157 2S 0.30213 158 21 H 1S 0.54161 159 2S 0.31784 160 22 O 1S 1.99234 161 2S 0.89932 162 2PX 0.93697 163 2PY 0.96356 164 2PZ 1.01235 165 3S 1.00625 166 3PX 0.52123 167 3PY 0.55960 168 3PZ 0.56878 169 4XX 0.00128 170 4YY -0.00122 171 4ZZ -0.00484 172 4XY 0.00765 173 4XZ 0.00371 174 4YZ 0.00696 175 23 O 1S 1.99234 176 2S 0.89932 177 2PX 0.93697 178 2PY 0.96357 179 2PZ 1.01235 180 3S 1.00625 181 3PX 0.52123 182 3PY 0.55960 183 3PZ 0.56878 184 4XX 0.00128 185 4YY -0.00122 186 4ZZ -0.00484 187 4XY 0.00765 188 4XZ 0.00371 189 4YZ 0.00696 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.999267 0.361914 0.553424 -0.052127 -0.043945 0.006077 2 H 0.361914 0.613632 -0.042416 -0.007995 0.007379 -0.000145 3 C 0.553424 -0.042416 4.906236 0.367131 0.509922 -0.051751 4 H -0.052127 -0.007995 0.367131 0.624219 -0.051751 -0.007408 5 C -0.043945 0.007379 0.509922 -0.051751 4.906237 0.367131 6 H 0.006077 -0.000145 -0.051751 -0.007408 0.367131 0.624219 7 C -0.022711 0.000137 -0.043945 0.006077 0.553424 -0.052127 8 H 0.000137 -0.000004 0.007379 -0.000145 -0.042416 -0.007995 9 C 0.374477 -0.051199 -0.023518 0.005698 -0.031231 -0.000156 10 H -0.039434 -0.000656 -0.005863 -0.000050 0.001688 -0.000001 11 H -0.033816 -0.000666 0.003493 -0.000199 0.001074 0.000017 12 C -0.033023 0.005215 -0.031231 -0.000156 -0.023518 0.005698 13 H 0.002384 -0.000112 0.001688 -0.000001 -0.005863 -0.000050 14 H 0.001389 -0.000156 0.001074 0.000017 0.003493 -0.000199 15 C 0.000260 -0.000038 -0.000126 0.000000 -0.000126 0.000000 16 C 0.109652 -0.008903 -0.016894 0.000631 -0.022835 -0.000074 17 C -0.006324 0.001100 -0.022835 -0.000074 -0.016895 0.000631 18 H -0.000074 0.000000 0.000006 0.000000 0.000006 0.000000 19 H -0.018626 -0.000380 -0.004215 0.000298 0.002106 0.000020 20 H 0.001041 -0.000034 0.002106 0.000020 -0.004215 0.000298 21 H 0.000715 0.000009 -0.000062 0.000000 -0.000062 0.000000 22 O -0.000388 -0.000011 0.000474 0.000001 0.000580 -0.000014 23 O -0.010795 0.000523 0.000580 -0.000014 0.000474 0.000001 7 8 9 10 11 12 1 C -0.022711 0.000137 0.374477 -0.039434 -0.033816 -0.033023 2 H 0.000137 -0.000004 -0.051199 -0.000656 -0.000666 0.005215 3 C -0.043945 0.007379 -0.023518 -0.005863 0.003493 -0.031231 4 H 0.006077 -0.000145 0.005698 -0.000050 -0.000199 -0.000156 5 C 0.553424 -0.042416 -0.031231 0.001688 0.001074 -0.023518 6 H -0.052127 -0.007995 -0.000156 -0.000001 0.000017 0.005698 7 C 4.999267 0.361914 -0.033023 0.002384 0.001389 0.374477 8 H 0.361914 0.613632 0.005215 -0.000112 -0.000156 -0.051199 9 C -0.033023 0.005215 5.060585 0.375819 0.352747 0.333676 10 H 0.002384 -0.000112 0.375819 0.602092 -0.042569 -0.034061 11 H 0.001389 -0.000156 0.352747 -0.042569 0.605948 -0.027675 12 C 0.374477 -0.051199 0.333676 -0.034061 -0.027675 5.060585 13 H -0.039434 -0.000656 -0.034061 -0.012446 0.004405 0.375819 14 H -0.033816 -0.000666 -0.027675 0.004405 -0.012412 0.352747 15 C 0.000260 -0.000038 -0.000449 -0.000014 -0.000291 -0.000449 16 C -0.006324 0.001100 -0.004120 0.002064 -0.010505 -0.014419 17 C 0.109652 -0.008903 -0.014419 0.000341 0.000553 -0.004120 18 H -0.000074 0.000000 0.000065 -0.000002 0.000259 0.000065 19 H 0.001041 -0.000034 0.000461 -0.000059 0.000522 0.000286 20 H -0.018626 -0.000380 0.000286 0.000003 -0.000050 0.000461 21 H 0.000715 0.000009 0.000522 0.000088 -0.001803 0.000522 22 O -0.010795 0.000523 0.000320 -0.000028 0.000124 -0.004495 23 O -0.000388 -0.000011 -0.004495 0.000029 0.013076 0.000320 13 14 15 16 17 18 1 C 0.002384 0.001389 0.000260 0.109652 -0.006324 -0.000074 2 H -0.000112 -0.000156 -0.000038 -0.008903 0.001100 0.000000 3 C 0.001688 0.001074 -0.000126 -0.016894 -0.022835 0.000006 4 H -0.000001 0.000017 0.000000 0.000631 -0.000074 0.000000 5 C -0.005863 0.003493 -0.000126 -0.022835 -0.016895 0.000006 6 H -0.000050 -0.000199 0.000000 -0.000074 0.000631 0.000000 7 C -0.039434 -0.033816 0.000260 -0.006324 0.109652 -0.000074 8 H -0.000656 -0.000666 -0.000038 0.001100 -0.008903 0.000000 9 C -0.034061 -0.027675 -0.000449 -0.004120 -0.014419 0.000065 10 H -0.012446 0.004405 -0.000014 0.002064 0.000341 -0.000002 11 H 0.004405 -0.012412 -0.000291 -0.010505 0.000553 0.000259 12 C 0.375819 0.352747 -0.000449 -0.014419 -0.004120 0.000065 13 H 0.602092 -0.042569 -0.000014 0.000341 0.002064 -0.000002 14 H -0.042569 0.605948 -0.000291 0.000553 -0.010505 0.000259 15 C -0.000014 -0.000291 4.669071 -0.058175 -0.058175 0.366229 16 C 0.000341 0.000553 -0.058175 4.923711 0.490226 0.003982 17 C 0.002064 -0.010505 -0.058175 0.490226 4.923711 0.003982 18 H -0.000002 0.000259 0.366229 0.003982 0.003982 0.618281 19 H 0.000003 -0.000050 0.005649 0.381033 -0.042177 0.000081 20 H -0.000059 0.000522 0.005649 -0.042177 0.381033 0.000081 21 H 0.000088 -0.001803 0.360618 0.004888 0.004888 -0.072751 22 O 0.000029 0.013076 0.255654 -0.039178 0.230650 -0.035467 23 O -0.000028 0.000124 0.255654 0.230650 -0.039178 -0.035467 19 20 21 22 23 1 C -0.018626 0.001041 0.000715 -0.000388 -0.010795 2 H -0.000380 -0.000034 0.000009 -0.000011 0.000523 3 C -0.004215 0.002106 -0.000062 0.000474 0.000580 4 H 0.000298 0.000020 0.000000 0.000001 -0.000014 5 C 0.002106 -0.004215 -0.000062 0.000580 0.000474 6 H 0.000020 0.000298 0.000000 -0.000014 0.000001 7 C 0.001041 -0.018626 0.000715 -0.010795 -0.000388 8 H -0.000034 -0.000380 0.000009 0.000523 -0.000011 9 C 0.000461 0.000286 0.000522 0.000320 -0.004495 10 H -0.000059 0.000003 0.000088 -0.000028 0.000029 11 H 0.000522 -0.000050 -0.001803 0.000124 0.013076 12 C 0.000286 0.000461 0.000522 -0.004495 0.000320 13 H 0.000003 -0.000059 0.000088 0.000029 -0.000028 14 H -0.000050 0.000522 -0.001803 0.013076 0.000124 15 C 0.005649 0.005649 0.360618 0.255654 0.255654 16 C 0.381033 -0.042177 0.004888 -0.039178 0.230650 17 C -0.042177 0.381033 0.004888 0.230650 -0.039178 18 H 0.000081 0.000081 -0.072751 -0.035467 -0.035467 19 H 0.540693 -0.000192 -0.000394 0.002500 -0.036732 20 H -0.000192 0.540693 -0.000394 -0.036732 0.002500 21 H -0.000394 -0.000394 0.665553 -0.050949 -0.050949 22 O 0.002500 -0.036732 -0.050949 8.190566 -0.042486 23 O -0.036732 0.002500 -0.050949 -0.042486 8.190566 Mulliken charges: 1 1 C -0.149471 2 H 0.122806 3 C -0.110655 4 H 0.115827 5 C -0.110655 6 H 0.115827 7 C -0.149471 8 H 0.122806 9 C -0.285525 10 H 0.146380 11 H 0.146537 12 C -0.285525 13 H 0.146380 14 H 0.146537 15 C 0.199142 16 C 0.074774 17 C 0.074774 18 H 0.150540 19 H 0.168166 20 H 0.168166 21 H 0.140551 22 O -0.473954 23 O -0.473954 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.026665 3 C 0.005171 5 C 0.005171 7 C -0.026665 9 C 0.007392 12 C 0.007392 15 C 0.490233 16 C 0.242939 17 C 0.242939 22 O -0.473954 23 O -0.473954 Electronic spatial extent (au): = 1462.8819 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2910 Y= 0.0000 Z= -0.2503 Tot= 0.3838 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0626 YY= -66.2574 ZZ= -61.0977 XY= 0.0000 XZ= 2.5925 YZ= -0.0001 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5901 YY= -1.7848 ZZ= 3.3749 XY= 0.0000 XZ= 2.5925 YZ= -0.0001 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3329 YYY= 0.0003 ZZZ= -4.5901 XYY= -4.5856 XXY= -0.0001 XXZ= 2.3253 XZZ= 4.2921 YZZ= -0.0001 YYZ= -4.6299 XYZ= -0.0002 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3477 YYYY= -454.0211 ZZZZ= -400.8192 XXXY= -0.0005 XXXZ= 25.2428 YYYX= -0.0001 YYYZ= -0.0008 ZZZX= -1.4233 ZZZY= -0.0002 XXYY= -270.3076 XXZZ= -230.4596 YYZZ= -137.0181 XXYZ= -0.0008 YYXZ= 2.4744 ZZXY= 0.0001 N-N= 6.505320762410D+02 E-N=-2.466032628263D+03 KE= 4.958567092635D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176835 29.026208 2 O -19.176831 29.026295 3 O -10.292295 15.888379 4 O -10.238598 15.880970 5 O -10.238016 15.892084 6 O -10.186436 15.890011 7 O -10.186415 15.884503 8 O -10.180373 15.882765 9 O -10.180196 15.889178 10 O -10.169364 15.876087 11 O -10.168862 15.885790 12 O -1.107167 2.296507 13 O -1.013193 2.785727 14 O -0.829085 1.400528 15 O -0.765908 1.721679 16 O -0.733697 1.473754 17 O -0.728679 1.513931 18 O -0.643757 1.895236 19 O -0.614529 1.756497 20 O -0.603990 1.457234 21 O -0.584677 1.408521 22 O -0.532374 1.336071 23 O -0.511539 1.178826 24 O -0.494178 0.996042 25 O -0.470197 1.352489 26 O -0.446710 1.573926 27 O -0.443555 1.142919 28 O -0.441041 1.573855 29 O -0.405580 1.357448 30 O -0.397904 1.212966 31 O -0.389635 1.719093 32 O -0.384148 1.292329 33 O -0.373290 1.575261 34 O -0.355256 2.366376 35 O -0.348820 1.413681 36 O -0.328582 1.797043 37 O -0.319427 1.470108 38 O -0.317080 1.391307 39 O -0.286260 1.368458 40 O -0.198006 1.279525 41 O -0.185597 1.798748 42 V -0.006986 1.479521 43 V 0.010188 1.673712 44 V 0.083783 0.940066 45 V 0.112324 0.984490 46 V 0.119133 1.770305 47 V 0.122464 1.842746 48 V 0.123157 0.999982 49 V 0.135170 1.073462 50 V 0.144242 1.535469 51 V 0.145255 1.041194 52 V 0.163943 1.653337 53 V 0.171441 1.388379 54 V 0.177644 1.367819 55 V 0.192703 1.270994 56 V 0.197770 2.353406 57 V 0.203000 1.219641 58 V 0.228884 1.314356 59 V 0.236115 1.143568 60 V 0.242720 1.412635 61 V 0.249113 1.439826 62 V 0.304388 1.683484 63 V 0.313625 1.479583 64 V 0.326616 1.752354 65 V 0.370131 2.525593 66 V 0.432156 1.929566 67 V 0.473980 1.814291 68 V 0.477970 1.842649 69 V 0.491403 1.616027 70 V 0.508304 2.036349 71 V 0.523165 2.095556 72 V 0.546530 2.522556 73 V 0.547872 1.755727 74 V 0.548666 2.108132 75 V 0.568906 2.371560 76 V 0.579343 2.171883 77 V 0.607431 2.323811 78 V 0.613353 1.950963 79 V 0.618227 1.942484 80 V 0.636308 2.358937 81 V 0.663089 2.521659 82 V 0.678632 2.532018 83 V 0.712834 2.399483 84 V 0.722925 2.418522 85 V 0.740944 2.512572 86 V 0.751902 2.579590 87 V 0.775360 2.174653 88 V 0.795744 2.393635 89 V 0.798767 2.614799 90 V 0.810710 2.533001 91 V 0.828471 2.500804 92 V 0.842100 2.285843 93 V 0.854432 2.766066 94 V 0.864509 2.706380 95 V 0.880603 2.597049 96 V 0.884446 2.489186 97 V 0.885197 2.711070 98 V 0.887091 2.868283 99 V 0.898059 2.577242 100 V 0.913854 2.700571 101 V 0.937164 2.656117 102 V 0.940303 2.589414 103 V 0.951231 2.714860 104 V 1.007935 2.256288 105 V 1.014396 2.336379 106 V 1.022946 2.836179 107 V 1.027243 2.464844 108 V 1.092079 3.076150 109 V 1.099199 2.654380 110 V 1.114141 2.823468 111 V 1.149190 2.615966 112 V 1.151869 2.999838 113 V 1.189459 2.470838 114 V 1.204057 2.548185 115 V 1.251287 2.394799 116 V 1.264383 2.522627 117 V 1.367255 2.620161 118 V 1.370462 2.851690 119 V 1.398322 2.557515 120 V 1.427028 2.655152 121 V 1.432158 2.569738 122 V 1.438589 2.643850 123 V 1.475730 2.604522 124 V 1.492045 2.727364 125 V 1.526433 2.731813 126 V 1.585308 2.729136 127 V 1.639993 2.848138 128 V 1.661091 2.867842 129 V 1.720443 2.847268 130 V 1.723416 2.956517 131 V 1.758439 2.890013 132 V 1.770886 3.084055 133 V 1.794190 3.089673 134 V 1.859999 3.080320 135 V 1.877781 3.223031 136 V 1.885341 3.369074 137 V 1.908421 3.243962 138 V 1.935610 3.247703 139 V 1.958242 3.419402 140 V 1.976520 3.549614 141 V 1.978375 3.699066 142 V 1.981002 3.551977 143 V 2.000532 3.502380 144 V 2.019361 3.666524 145 V 2.041611 3.521274 146 V 2.088900 3.490903 147 V 2.120230 3.689765 148 V 2.140822 3.517947 149 V 2.160179 3.640524 150 V 2.230131 3.506010 151 V 2.254873 3.549659 152 V 2.262019 3.557626 153 V 2.279916 3.600181 154 V 2.291930 3.680413 155 V 2.309602 3.817281 156 V 2.318552 3.601925 157 V 2.371157 3.779128 158 V 2.401506 3.844964 159 V 2.434347 3.875043 160 V 2.448083 3.771374 161 V 2.451442 3.854213 162 V 2.484073 3.927498 163 V 2.522238 3.909227 164 V 2.545375 4.007345 165 V 2.598893 4.362531 166 V 2.627408 4.427880 167 V 2.645175 4.262190 168 V 2.675684 4.223220 169 V 2.692956 4.304449 170 V 2.694419 4.369068 171 V 2.736157 4.291618 172 V 2.765905 4.303007 173 V 2.803893 4.577668 174 V 2.866861 4.485884 175 V 2.879954 4.651919 176 V 2.944564 4.768120 177 V 3.105759 4.916567 178 V 3.131186 4.838698 179 V 4.006209 10.862414 180 V 4.105755 10.794553 181 V 4.127666 10.147715 182 V 4.252027 10.394615 183 V 4.268091 10.250264 184 V 4.362062 10.479326 185 V 4.370181 10.258821 186 V 4.448580 10.340599 187 V 4.489347 10.367748 188 V 4.649647 10.705353 189 V 4.874495 11.552514 Total kinetic energy from orbitals= 4.958567092635D+02 1|1| IMPERIAL COLLEGE-CHWS-275|FTS|RB3LYP|6-31G(d)|C9H12O2|DT2315|16-D ec-2017|0||# opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connecti vity integral=grid=ultrafine pop=full gfprint||Title Card Required||0, 1|C,-1.1940387779,-1.3645228421,0.0781656986|H,-1.0886343817,-2.444688 7362,-0.0124180857|C,-2.1095980032,-0.703854088,-0.7267738969|H,-2.649 198758,-1.2443430566,-1.5020789688|C,-2.1095902037,0.703902426,-0.7267 467538|H,-2.6491849629,1.2444272571,-1.5020309819|C,-1.1940234258,1.36 45298769,0.0782181932|H,-1.0886073155,2.4446981282,-0.0123236882|C,-0. 7923699496,-0.7791156459,1.4166550254|H,-1.5076183191,-1.1419468979,2. 1678721662|H,0.1810109,-1.1835848894,1.7152498492|C,-0.7923617021,0.77 90666762,1.4166851471|H,-1.5076068353,1.141876407,2.1679157468|H,0.181 0232019,1.1835140274,1.7152963856|C,2.4040776017,-0.0000213331,0.41870 62425|C,0.758535676,-0.6945967923,-0.9710115072|C,0.7585425795,0.69462 4552,-0.9709845207|H,3.487505993,-0.0000233569,0.2404497365|H,0.506233 5483,-1.3445858693,-1.7922104232|H,0.5062474901,1.3446477996,-1.792158 5506|H,2.199764664,-0.0000412829,1.4982093574|O,1.8159337765,1.1479167 925,-0.1857298326|O,1.8159222037,-1.1479301522,-0.1857743389||Version= EM64W-G09RevD.01|State=1-A|HF=-500.488669|RMSD=4.671e-009|RMSF=2.037e- 007|Dipole=0.1144737,0.0000018,-0.0984578|Quadrupole=-1.182166,-1.3269 642,2.5091302,-0.0000371,1.9274661,-0.0000843|PG=C01 [X(C9H12O2)]||@ OLD HORSE! OLD HORSE! WHAT BROUGHT YOU HERE? FROM SACARAP' TO PORTLAND PIER I'VE CARTED STONE THIS MANY A YEAR; TILL, KILLED BY BLOWS AND SORE ABUSE, THEY SALTED ME DOWN FOR SAILORS' USE. THE SAILORS THEY DO ME DESPISE; THEY TURN ME OVER AND DAMN MY EYES; CUT OFF MY MEAT, AND SCRAPE MY BONES, AND PITCH ME OVER TO DAVY JONES. SAILORS' COMPLAINT ABOUT THE BEEF SERVED ON SHIPBOARD, CIRCA 1835. Job cpu time: 0 days 0 hours 11 minutes 51.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Sat Dec 16 21:26:08 2017. 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: "H:\Y3\TS\Exercise 2\TS\exo\exo_TSberry_B3LYP.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,-1.1940387779,-1.3645228421,0.0781656986 H,0,-1.0886343817,-2.4446887362,-0.0124180857 C,0,-2.1095980032,-0.703854088,-0.7267738969 H,0,-2.649198758,-1.2443430566,-1.5020789688 C,0,-2.1095902037,0.703902426,-0.7267467538 H,0,-2.6491849629,1.2444272571,-1.5020309819 C,0,-1.1940234258,1.3645298769,0.0782181932 H,0,-1.0886073155,2.4446981282,-0.0123236882 C,0,-0.7923699496,-0.7791156459,1.4166550254 H,0,-1.5076183191,-1.1419468979,2.1678721662 H,0,0.1810109,-1.1835848894,1.7152498492 C,0,-0.7923617021,0.7790666762,1.4166851471 H,0,-1.5076068353,1.141876407,2.1679157468 H,0,0.1810232019,1.1835140274,1.7152963856 C,0,2.4040776017,-0.0000213331,0.4187062425 C,0,0.758535676,-0.6945967923,-0.9710115072 C,0,0.7585425795,0.694624552,-0.9709845207 H,0,3.487505993,-0.0000233569,0.2404497365 H,0,0.5062335483,-1.3445858693,-1.7922104232 H,0,0.5062474901,1.3446477996,-1.7921585506 H,0,2.199764664,-0.0000412829,1.4982093574 O,0,1.8159337765,1.1479167925,-0.1857298326 O,0,1.8159222037,-1.1479301522,-0.1857743389 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) 1.3866 calculate D2E/DX2 analytically ! ! R3 R(1,9) 1.5151 calculate D2E/DX2 analytically ! ! R4 R(1,16) 2.3156 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) 1.3866 calculate D2E/DX2 analytically ! ! R9 R(7,8) 1.0891 calculate D2E/DX2 analytically ! ! R10 R(7,12) 1.5151 calculate D2E/DX2 analytically ! ! R11 R(7,17) 2.3156 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(11,21) 2.3502 calculate D2E/DX2 analytically ! ! R16 R(12,13) 1.0989 calculate D2E/DX2 analytically ! ! R17 R(12,14) 1.0955 calculate D2E/DX2 analytically ! ! R18 R(14,21) 2.3502 calculate D2E/DX2 analytically ! ! R19 R(15,18) 1.098 calculate D2E/DX2 analytically ! ! R20 R(15,21) 1.0987 calculate D2E/DX2 analytically ! ! R21 R(15,22) 1.4244 calculate D2E/DX2 analytically ! ! R22 R(15,23) 1.4244 calculate D2E/DX2 analytically ! ! R23 R(16,17) 1.3892 calculate D2E/DX2 analytically ! ! R24 R(16,19) 1.0773 calculate D2E/DX2 analytically ! ! R25 R(16,23) 1.3929 calculate D2E/DX2 analytically ! ! R26 R(17,20) 1.0773 calculate D2E/DX2 analytically ! ! R27 R(17,22) 1.3929 calculate D2E/DX2 analytically ! ! A1 A(2,1,3) 119.2218 calculate D2E/DX2 analytically ! ! A2 A(2,1,9) 115.5335 calculate D2E/DX2 analytically ! ! A3 A(2,1,16) 99.651 calculate D2E/DX2 analytically ! ! A4 A(3,1,9) 120.251 calculate D2E/DX2 analytically ! ! A5 A(3,1,16) 98.9691 calculate D2E/DX2 analytically ! ! A6 A(9,1,16) 93.7235 calculate D2E/DX2 analytically ! ! A7 A(1,3,4) 120.2857 calculate D2E/DX2 analytically ! ! A8 A(1,3,5) 118.4539 calculate D2E/DX2 analytically ! ! A9 A(4,3,5) 119.7788 calculate D2E/DX2 analytically ! ! A10 A(3,5,6) 119.7788 calculate D2E/DX2 analytically ! ! A11 A(3,5,7) 118.4539 calculate D2E/DX2 analytically ! ! A12 A(6,5,7) 120.2857 calculate D2E/DX2 analytically ! ! A13 A(5,7,8) 119.2218 calculate D2E/DX2 analytically ! ! A14 A(5,7,12) 120.251 calculate D2E/DX2 analytically ! ! A15 A(5,7,17) 98.9691 calculate D2E/DX2 analytically ! ! A16 A(8,7,12) 115.5335 calculate D2E/DX2 analytically ! ! A17 A(8,7,17) 99.651 calculate D2E/DX2 analytically ! ! A18 A(12,7,17) 93.7235 calculate D2E/DX2 analytically ! ! A19 A(1,9,10) 107.6855 calculate D2E/DX2 analytically ! ! A20 A(1,9,11) 109.492 calculate D2E/DX2 analytically ! ! A21 A(1,9,12) 112.7304 calculate D2E/DX2 analytically ! ! A22 A(10,9,11) 105.6691 calculate D2E/DX2 analytically ! ! A23 A(10,9,12) 109.2791 calculate D2E/DX2 analytically ! ! A24 A(11,9,12) 111.6653 calculate D2E/DX2 analytically ! ! A25 A(9,11,21) 123.5113 calculate D2E/DX2 analytically ! ! A26 A(7,12,9) 112.7304 calculate D2E/DX2 analytically ! ! A27 A(7,12,13) 107.6855 calculate D2E/DX2 analytically ! ! A28 A(7,12,14) 109.492 calculate D2E/DX2 analytically ! ! A29 A(9,12,13) 109.2791 calculate D2E/DX2 analytically ! ! A30 A(9,12,14) 111.6653 calculate D2E/DX2 analytically ! ! A31 A(13,12,14) 105.6691 calculate D2E/DX2 analytically ! ! A32 A(12,14,21) 123.5113 calculate D2E/DX2 analytically ! ! A33 A(18,15,21) 110.0605 calculate D2E/DX2 analytically ! ! A34 A(18,15,22) 109.7874 calculate D2E/DX2 analytically ! ! A35 A(18,15,23) 109.7874 calculate D2E/DX2 analytically ! ! A36 A(21,15,22) 109.8868 calculate D2E/DX2 analytically ! ! A37 A(21,15,23) 109.8868 calculate D2E/DX2 analytically ! ! A38 A(22,15,23) 107.3905 calculate D2E/DX2 analytically ! ! A39 A(1,16,17) 106.8162 calculate D2E/DX2 analytically ! ! A40 A(1,16,19) 88.4724 calculate D2E/DX2 analytically ! ! A41 A(1,16,23) 106.8894 calculate D2E/DX2 analytically ! ! A42 A(17,16,19) 127.1126 calculate D2E/DX2 analytically ! ! A43 A(17,16,23) 108.9925 calculate D2E/DX2 analytically ! ! A44 A(19,16,23) 114.2776 calculate D2E/DX2 analytically ! ! A45 A(7,17,16) 106.8162 calculate D2E/DX2 analytically ! ! A46 A(7,17,20) 88.4724 calculate D2E/DX2 analytically ! ! A47 A(7,17,22) 106.8894 calculate D2E/DX2 analytically ! ! A48 A(16,17,20) 127.1126 calculate D2E/DX2 analytically ! ! A49 A(16,17,22) 108.9925 calculate D2E/DX2 analytically ! ! A50 A(20,17,22) 114.2776 calculate D2E/DX2 analytically ! ! A51 A(11,21,14) 60.4774 calculate D2E/DX2 analytically ! ! A52 A(11,21,15) 104.5065 calculate D2E/DX2 analytically ! ! A53 A(14,21,15) 104.5065 calculate D2E/DX2 analytically ! ! A54 A(15,22,17) 106.8819 calculate D2E/DX2 analytically ! ! A55 A(15,23,16) 106.8819 calculate D2E/DX2 analytically ! ! D1 D(2,1,3,4) -5.5884 calculate D2E/DX2 analytically ! ! D2 D(2,1,3,5) -171.6751 calculate D2E/DX2 analytically ! ! D3 D(9,1,3,4) -159.4828 calculate D2E/DX2 analytically ! ! D4 D(9,1,3,5) 34.4305 calculate D2E/DX2 analytically ! ! D5 D(16,1,3,4) 100.8365 calculate D2E/DX2 analytically ! ! D6 D(16,1,3,5) -65.2502 calculate D2E/DX2 analytically ! ! D7 D(2,1,9,10) -66.8069 calculate D2E/DX2 analytically ! ! D8 D(2,1,9,11) 47.6229 calculate D2E/DX2 analytically ! ! D9 D(2,1,9,12) 172.5751 calculate D2E/DX2 analytically ! ! D10 D(3,1,9,10) 88.0049 calculate D2E/DX2 analytically ! ! D11 D(3,1,9,11) -157.5653 calculate D2E/DX2 analytically ! ! D12 D(3,1,9,12) -32.6132 calculate D2E/DX2 analytically ! ! D13 D(16,1,9,10) -169.3558 calculate D2E/DX2 analytically ! ! D14 D(16,1,9,11) -54.926 calculate D2E/DX2 analytically ! ! D15 D(16,1,9,12) 70.0262 calculate D2E/DX2 analytically ! ! D16 D(2,1,16,17) 178.4052 calculate D2E/DX2 analytically ! ! D17 D(2,1,16,19) 49.9061 calculate D2E/DX2 analytically ! ! D18 D(2,1,16,23) -65.0389 calculate D2E/DX2 analytically ! ! D19 D(3,1,16,17) 56.5233 calculate D2E/DX2 analytically ! ! D20 D(3,1,16,19) -71.9758 calculate D2E/DX2 analytically ! ! D21 D(3,1,16,23) 173.0792 calculate D2E/DX2 analytically ! ! D22 D(9,1,16,17) -64.9013 calculate D2E/DX2 analytically ! ! D23 D(9,1,16,19) 166.5996 calculate D2E/DX2 analytically ! ! D24 D(9,1,16,23) 51.6546 calculate D2E/DX2 analytically ! ! D25 D(1,3,5,6) 166.1591 calculate D2E/DX2 analytically ! ! D26 D(1,3,5,7) 0.0 calculate D2E/DX2 analytically ! ! D27 D(4,3,5,6) 0.0 calculate D2E/DX2 analytically ! ! D28 D(4,3,5,7) -166.1591 calculate D2E/DX2 analytically ! ! D29 D(3,5,7,8) 171.6751 calculate D2E/DX2 analytically ! ! D30 D(3,5,7,12) -34.4305 calculate D2E/DX2 analytically ! ! D31 D(3,5,7,17) 65.2503 calculate D2E/DX2 analytically ! ! D32 D(6,5,7,8) 5.5884 calculate D2E/DX2 analytically ! ! D33 D(6,5,7,12) 159.4828 calculate D2E/DX2 analytically ! ! D34 D(6,5,7,17) -100.8364 calculate D2E/DX2 analytically ! ! D35 D(5,7,12,9) 32.6132 calculate D2E/DX2 analytically ! ! D36 D(5,7,12,13) -88.0048 calculate D2E/DX2 analytically ! ! D37 D(5,7,12,14) 157.5654 calculate D2E/DX2 analytically ! ! D38 D(8,7,12,9) -172.575 calculate D2E/DX2 analytically ! ! D39 D(8,7,12,13) 66.8069 calculate D2E/DX2 analytically ! ! D40 D(8,7,12,14) -47.6229 calculate D2E/DX2 analytically ! ! D41 D(17,7,12,9) -70.0262 calculate D2E/DX2 analytically ! ! D42 D(17,7,12,13) 169.3558 calculate D2E/DX2 analytically ! ! D43 D(17,7,12,14) 54.926 calculate D2E/DX2 analytically ! ! D44 D(5,7,17,16) -56.5233 calculate D2E/DX2 analytically ! ! D45 D(5,7,17,20) 71.9758 calculate D2E/DX2 analytically ! ! D46 D(5,7,17,22) -173.0792 calculate D2E/DX2 analytically ! ! D47 D(8,7,17,16) -178.4052 calculate D2E/DX2 analytically ! ! D48 D(8,7,17,20) -49.9061 calculate D2E/DX2 analytically ! ! D49 D(8,7,17,22) 65.0389 calculate D2E/DX2 analytically ! ! D50 D(12,7,17,16) 64.9013 calculate D2E/DX2 analytically ! ! D51 D(12,7,17,20) -166.5996 calculate D2E/DX2 analytically ! ! D52 D(12,7,17,22) -51.6546 calculate D2E/DX2 analytically ! ! D53 D(1,9,11,21) 101.4846 calculate D2E/DX2 analytically ! ! D54 D(10,9,11,21) -142.7944 calculate D2E/DX2 analytically ! ! D55 D(12,9,11,21) -24.0823 calculate D2E/DX2 analytically ! ! D56 D(1,9,12,7) 0.0 calculate D2E/DX2 analytically ! ! D57 D(1,9,12,13) 119.7013 calculate D2E/DX2 analytically ! ! D58 D(1,9,12,14) -123.7584 calculate D2E/DX2 analytically ! ! D59 D(10,9,12,7) -119.7014 calculate D2E/DX2 analytically ! ! D60 D(10,9,12,13) 0.0 calculate D2E/DX2 analytically ! ! D61 D(10,9,12,14) 116.5402 calculate D2E/DX2 analytically ! ! D62 D(11,9,12,7) 123.7583 calculate D2E/DX2 analytically ! ! D63 D(11,9,12,13) -116.5403 calculate D2E/DX2 analytically ! ! D64 D(11,9,12,14) 0.0 calculate D2E/DX2 analytically ! ! D65 D(9,11,21,14) 26.0368 calculate D2E/DX2 analytically ! ! D66 D(9,11,21,15) -72.6379 calculate D2E/DX2 analytically ! ! D67 D(7,12,14,21) -101.4846 calculate D2E/DX2 analytically ! ! D68 D(9,12,14,21) 24.0824 calculate D2E/DX2 analytically ! ! D69 D(13,12,14,21) 142.7945 calculate D2E/DX2 analytically ! ! D70 D(12,14,21,11) -26.0368 calculate D2E/DX2 analytically ! ! D71 D(12,14,21,15) 72.6379 calculate D2E/DX2 analytically ! ! D72 D(18,15,21,11) -148.6551 calculate D2E/DX2 analytically ! ! D73 D(18,15,21,14) 148.6551 calculate D2E/DX2 analytically ! ! D74 D(22,15,21,11) 90.3245 calculate D2E/DX2 analytically ! ! D75 D(22,15,21,14) 27.6348 calculate D2E/DX2 analytically ! ! D76 D(23,15,21,11) -27.6348 calculate D2E/DX2 analytically ! ! D77 D(23,15,21,14) -90.3245 calculate D2E/DX2 analytically ! ! D78 D(18,15,22,17) 128.395 calculate D2E/DX2 analytically ! ! D79 D(21,15,22,17) -110.4205 calculate D2E/DX2 analytically ! ! D80 D(23,15,22,17) 9.0751 calculate D2E/DX2 analytically ! ! D81 D(18,15,23,16) -128.395 calculate D2E/DX2 analytically ! ! D82 D(21,15,23,16) 110.4205 calculate D2E/DX2 analytically ! ! D83 D(22,15,23,16) -9.0751 calculate D2E/DX2 analytically ! ! D84 D(1,16,17,7) 0.0 calculate D2E/DX2 analytically ! ! D85 D(1,16,17,20) -101.172 calculate D2E/DX2 analytically ! ! D86 D(1,16,17,22) 115.1506 calculate D2E/DX2 analytically ! ! D87 D(19,16,17,7) 101.1719 calculate D2E/DX2 analytically ! ! D88 D(19,16,17,20) 0.0 calculate D2E/DX2 analytically ! ! D89 D(19,16,17,22) -143.6775 calculate D2E/DX2 analytically ! ! D90 D(23,16,17,7) -115.1506 calculate D2E/DX2 analytically ! ! D91 D(23,16,17,20) 143.6775 calculate D2E/DX2 analytically ! ! D92 D(23,16,17,22) 0.0 calculate D2E/DX2 analytically ! ! D93 D(1,16,23,15) -109.4353 calculate D2E/DX2 analytically ! ! D94 D(17,16,23,15) 5.668 calculate D2E/DX2 analytically ! ! D95 D(19,16,23,15) 154.4578 calculate D2E/DX2 analytically ! ! D96 D(7,17,22,15) 109.4353 calculate D2E/DX2 analytically ! ! D97 D(16,17,22,15) -5.668 calculate D2E/DX2 analytically ! ! D98 D(20,17,22,15) -154.4577 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 -1.194039 -1.364523 0.078166 2 1 0 -1.088634 -2.444689 -0.012418 3 6 0 -2.109598 -0.703854 -0.726774 4 1 0 -2.649199 -1.244343 -1.502079 5 6 0 -2.109590 0.703902 -0.726747 6 1 0 -2.649185 1.244427 -1.502031 7 6 0 -1.194023 1.364530 0.078218 8 1 0 -1.088607 2.444698 -0.012324 9 6 0 -0.792370 -0.779116 1.416655 10 1 0 -1.507618 -1.141947 2.167872 11 1 0 0.181011 -1.183585 1.715250 12 6 0 -0.792362 0.779067 1.416685 13 1 0 -1.507607 1.141876 2.167916 14 1 0 0.181023 1.183514 1.715296 15 6 0 2.404078 -0.000021 0.418706 16 6 0 0.758536 -0.694597 -0.971012 17 6 0 0.758543 0.694625 -0.970985 18 1 0 3.487506 -0.000023 0.240450 19 1 0 0.506234 -1.344586 -1.792210 20 1 0 0.506247 1.344648 -1.792159 21 1 0 2.199765 -0.000041 1.498209 22 8 0 1.815934 1.147917 -0.185730 23 8 0 1.815922 -1.147930 -0.185774 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089070 0.000000 3 C 1.386600 2.140835 0.000000 4 H 2.151536 2.468862 1.088299 0.000000 5 C 2.400938 3.386184 1.407757 2.165174 0.000000 6 H 3.379511 4.273622 2.165174 2.488770 1.088299 7 C 2.729053 3.811754 2.400938 3.379511 1.386600 8 H 3.811754 4.889387 3.386184 4.273622 2.140835 9 C 1.515121 2.214533 2.516951 3.490452 2.920374 10 H 2.124793 2.574170 2.988859 3.844767 3.485448 11 H 2.145587 2.487412 3.382382 4.285438 3.843541 12 C 2.558897 3.538744 2.920374 4.007645 2.516951 13 H 3.278325 4.218156 3.485447 4.523951 2.988859 14 H 3.326182 4.214366 3.843541 4.925053 3.382383 15 C 3.863195 4.285009 4.709647 5.547374 4.709646 16 C 2.315625 2.719147 2.878529 3.492407 3.200252 17 C 3.025455 3.766457 3.200252 3.956559 2.878528 18 H 4.879043 5.194362 5.723502 6.499529 5.723501 19 H 2.527772 2.630873 2.896250 3.170328 3.489133 20 H 3.705225 4.479977 3.489133 4.091926 2.896250 21 H 3.923804 4.367135 4.900664 5.836306 4.900664 22 O 3.929622 4.623134 4.373967 5.233841 3.987429 23 O 3.029264 3.185606 3.987429 4.656099 4.373966 6 7 8 9 10 6 H 0.000000 7 C 2.151536 0.000000 8 H 2.468862 1.089070 0.000000 9 C 4.007645 2.558897 3.538744 0.000000 10 H 4.523952 3.278326 4.218157 1.098888 0.000000 11 H 4.925053 3.326181 4.214366 1.095548 1.748734 12 C 3.490452 1.515121 2.214533 1.558182 2.183155 13 H 3.844766 2.124793 2.574170 2.183155 2.283823 14 H 4.285439 2.145587 2.487412 2.211017 2.909313 15 C 5.547373 3.863193 4.285007 3.438047 4.434517 16 C 3.956559 3.025454 3.766456 2.848404 3.897200 17 C 3.492406 2.315624 2.719145 3.205942 4.284962 18 H 6.499529 4.879041 5.194359 4.506416 5.474506 19 H 4.091926 3.705224 4.479976 3.507555 4.447349 20 H 3.170327 2.527771 2.630871 4.061190 5.091233 21 H 5.836305 3.923803 4.367133 3.092972 3.936634 22 O 4.656098 3.029263 3.185604 3.617228 4.672143 23 O 5.233841 3.929621 4.623133 3.083341 4.072543 11 12 13 14 15 11 H 0.000000 12 C 2.211017 0.000000 13 H 2.909314 1.098888 0.000000 14 H 2.367099 1.095548 1.748734 0.000000 15 C 2.832644 3.438047 4.434517 2.832644 0.000000 16 C 2.790814 3.205942 4.284962 3.328223 2.263086 17 C 3.328223 2.848403 3.897199 2.790815 2.263086 18 H 3.809037 4.506415 5.474506 3.809037 1.097995 19 H 3.526183 4.061190 5.091232 4.335857 3.209021 20 H 4.335857 3.507556 4.447349 3.526184 3.209021 21 H 2.350159 3.092972 3.936634 2.350159 1.098668 22 O 3.423828 3.083341 4.072543 2.507609 1.424436 23 O 2.507608 3.617228 4.672143 3.423828 1.424436 16 17 18 19 20 16 C 0.000000 17 C 1.389221 0.000000 18 H 3.065510 3.065510 0.000000 19 H 1.077270 2.212793 3.850655 0.000000 20 H 2.212792 1.077270 3.850654 2.689234 0.000000 21 H 2.942210 2.942210 1.800066 3.937348 3.937348 22 O 2.264865 1.392902 2.072088 3.241707 2.081969 23 O 1.392902 2.264865 2.072088 2.081969 3.241707 21 22 23 21 H 0.000000 22 O 2.073833 0.000000 23 O 2.073833 2.295847 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 -1.194042 -1.364528 0.078200 2 1 0 -1.088632 -2.444693 -0.012384 3 6 0 -2.109605 -0.703864 -0.726740 4 1 0 -2.649203 -1.244355 -1.502045 5 6 0 -2.109604 0.703893 -0.726713 6 1 0 -2.649201 1.244415 -1.501997 7 6 0 -1.194040 1.364525 0.078252 8 1 0 -1.088630 2.444694 -0.012290 9 6 0 -0.792376 -0.779119 1.416689 10 1 0 -1.507623 -1.141953 2.167906 11 1 0 0.181007 -1.183583 1.715284 12 6 0 -0.792376 0.779064 1.416719 13 1 0 -1.507623 1.141870 2.167950 14 1 0 0.181007 1.183516 1.715330 15 6 0 2.404068 -0.000008 0.418740 16 6 0 0.758529 -0.694592 -0.970978 17 6 0 0.758529 0.694629 -0.970951 18 1 0 3.487496 -0.000005 0.240484 19 1 0 0.506230 -1.344582 -1.792177 20 1 0 0.506231 1.344651 -1.792125 21 1 0 2.199755 -0.000029 1.498243 22 8 0 1.815918 1.147927 -0.185696 23 8 0 1.815918 -1.147920 -0.185740 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100393 1.0127350 0.9486815 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -2.256412387271 -2.578583933187 0.147775807943 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 -2.256412387271 -2.578583933187 0.147775807943 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 -2.256412387271 -2.578583933187 0.147775807943 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -2.256412387271 -2.578583933187 0.147775807943 0.8000000000D+00 0.1000000000D+01 Atom H2 Shell 5 S 3 bf 16 - 16 -2.057216712407 -4.619800652480 -0.023402736379 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 -2.057216712407 -4.619800652480 -0.023402736379 0.1612777588D+00 0.1000000000D+01 Atom C3 Shell 7 S 6 bf 18 - 18 -3.986574840377 -1.330109596876 -1.373339581019 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 -3.986574840377 -1.330109596876 -1.373339581019 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 -3.986574840377 -1.330109596876 -1.373339581019 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 10 D 1 bf 27 - 32 -3.986574840377 -1.330109596876 -1.373339581019 0.8000000000D+00 0.1000000000D+01 Atom H4 Shell 11 S 3 bf 33 - 33 -5.006267367622 -2.351490837198 -2.838453836433 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 -5.006267367622 -2.351490837198 -2.838453836433 0.1612777588D+00 0.1000000000D+01 Atom C5 Shell 13 S 6 bf 35 - 35 -3.986573437665 1.330164676447 -1.373288288090 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 -3.986573437665 1.330164676447 -1.373288288090 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 -3.986573437665 1.330164676447 -1.373288288090 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 16 D 1 bf 44 - 49 -3.986573437665 1.330164676447 -1.373288288090 0.8000000000D+00 0.1000000000D+01 Atom H6 Shell 17 S 3 bf 50 - 50 -5.006264875997 2.351603463248 -2.838363154274 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 -5.006264875997 2.351603463248 -2.838363154274 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 19 S 6 bf 52 - 52 -2.256409229504 2.578578307899 0.147875008406 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 -2.256409229504 2.578578307899 0.147875008406 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 -2.256409229504 2.578578307899 0.147875008406 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 22 D 1 bf 61 - 66 -2.256409229504 2.578578307899 0.147875008406 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 -2.057211884061 4.619801478987 -0.023224351009 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 -2.057211884061 4.619801478987 -0.023224351009 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 25 S 6 bf 69 - 69 -1.497373851445 -1.472320851054 2.677154067503 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 -1.497373851445 -1.472320851054 2.677154067503 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 -1.497373851445 -1.472320851054 2.677154067503 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 28 D 1 bf 78 - 83 -1.497373851445 -1.472320851054 2.677154067503 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 29 S 3 bf 84 - 84 -2.848993949579 -2.157979325664 4.096748729830 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 -2.848993949579 -2.157979325664 4.096748729830 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 0.342053208970 -2.236647729078 3.241416509131 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 0.342053208970 -2.236647729078 3.241416509131 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 -1.497373027432 1.472217002839 2.677210989140 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 -1.497373027432 1.472217002839 2.677210989140 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 -1.497373027432 1.472217002839 2.677210989140 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 -1.497373027432 1.472217002839 2.677210989140 0.8000000000D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 -2.848993884055 2.157821256587 4.096831085291 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 -2.848993884055 2.157821256587 4.096831085291 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 0.342054031581 2.236520953108 3.241504450126 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 0.342054031581 2.236520953108 3.241504450126 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 4.543029237717 -0.000015686721 0.791304173114 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 4.543029237717 -0.000015686721 0.791304173114 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 4.543029237717 -0.000015686721 0.791304173114 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 4.543029237717 -0.000015686721 0.791304173114 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 1.433412238196 -1.312588672280 -1.834881775821 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 C16 Shell 46 SP 3 bf 123 - 126 1.433412238196 -1.312588672280 -1.834881775821 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 C16 Shell 47 SP 1 bf 127 - 130 1.433412238196 -1.312588672280 -1.834881775821 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 1.433412238196 -1.312588672280 -1.834881775821 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 49 S 6 bf 137 - 137 1.433412123061 1.312659206481 -1.834830778711 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 50 SP 3 bf 138 - 141 1.433412123061 1.312659206481 -1.834830778711 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 51 SP 1 bf 142 - 145 1.433412123061 1.312659206481 -1.834830778711 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 52 D 1 bf 146 - 151 1.433412123061 1.312659206481 -1.834830778711 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 53 S 3 bf 152 - 152 6.590412181968 -0.000009247401 0.454448195274 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 54 S 1 bf 153 - 153 6.590412181968 -0.000009247401 0.454448195274 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 55 S 3 bf 154 - 154 0.956636471574 -2.540892407279 -3.386722827629 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 56 S 1 bf 155 - 155 0.956636471574 -2.540892407279 -3.386722827629 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 57 S 3 bf 156 - 156 0.956637341588 2.541022734356 -3.386624802762 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 58 S 1 bf 157 - 157 0.956637341588 2.541022734356 -3.386624802762 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 59 S 3 bf 158 - 158 4.156933740421 -0.000055321887 2.831269419834 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 60 S 1 bf 159 - 159 4.156933740421 -0.000055321887 2.831269419834 0.1612777588D+00 0.1000000000D+01 Atom O22 Shell 61 S 6 bf 160 - 160 3.431587606583 2.169267416408 -0.350914473591 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 O22 Shell 62 SP 3 bf 161 - 164 3.431587606583 2.169267416408 -0.350914473591 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 O22 Shell 63 SP 1 bf 165 - 168 3.431587606583 2.169267416408 -0.350914473591 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 64 D 1 bf 169 - 174 3.431587606583 2.169267416408 -0.350914473591 0.8000000000D+00 0.1000000000D+01 Atom O23 Shell 65 S 6 bf 175 - 175 3.431587486659 -2.169254552233 -0.350998578383 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 O23 Shell 66 SP 3 bf 176 - 179 3.431587486659 -2.169254552233 -0.350998578383 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 O23 Shell 67 SP 1 bf 180 - 183 3.431587486659 -2.169254552233 -0.350998578383 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O23 Shell 68 D 1 bf 184 - 189 3.431587486659 -2.169254552233 -0.350998578383 0.8000000000D+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 650.5320762410 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: "H:\Y3\TS\Exercise 2\TS\exo\exo_TSberry_B3LYP.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) = -500.488668996 A.U. after 1 cycles NFock= 1 Conv=0.32D-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 8.74D+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 4.83D-03. 69 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.05D-06 1.29D-04. 58 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 9.40D-08. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 5.65D-16 3.51D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 408 with 72 vectors. Isotropic polarizability for W= 0.000000 101.28 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 -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 Alpha occ. eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 Alpha occ. eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00699 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12246 0.12316 0.13517 0.14424 0.14525 Alpha virt. eigenvalues -- 0.16394 0.17144 0.17764 0.19270 0.19777 Alpha virt. eigenvalues -- 0.20300 0.22888 0.23611 0.24272 0.24911 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50830 0.52316 Alpha virt. eigenvalues -- 0.54653 0.54787 0.54867 0.56891 0.57934 Alpha virt. eigenvalues -- 0.60743 0.61335 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71283 0.72293 0.74094 0.75190 Alpha virt. eigenvalues -- 0.77536 0.79574 0.79877 0.81071 0.82847 Alpha virt. eigenvalues -- 0.84210 0.85443 0.86451 0.88060 0.88445 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91385 0.93716 Alpha virt. eigenvalues -- 0.94030 0.95123 1.00793 1.01440 1.02295 Alpha virt. eigenvalues -- 1.02724 1.09208 1.09920 1.11414 1.14919 Alpha virt. eigenvalues -- 1.15187 1.18946 1.20406 1.25129 1.26438 Alpha virt. eigenvalues -- 1.36726 1.37046 1.39832 1.42703 1.43216 Alpha virt. eigenvalues -- 1.43859 1.47573 1.49204 1.52643 1.58531 Alpha virt. eigenvalues -- 1.63999 1.66109 1.72044 1.72342 1.75844 Alpha virt. eigenvalues -- 1.77089 1.79419 1.86000 1.87778 1.88534 Alpha virt. eigenvalues -- 1.90842 1.93561 1.95824 1.97652 1.97837 Alpha virt. eigenvalues -- 1.98100 2.00053 2.01936 2.04161 2.08890 Alpha virt. eigenvalues -- 2.12023 2.14082 2.16018 2.23013 2.25487 Alpha virt. eigenvalues -- 2.26202 2.27992 2.29193 2.30960 2.31855 Alpha virt. eigenvalues -- 2.37116 2.40151 2.43435 2.44808 2.45144 Alpha virt. eigenvalues -- 2.48407 2.52224 2.54538 2.59889 2.62741 Alpha virt. eigenvalues -- 2.64518 2.67568 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76591 2.80389 2.86686 2.87995 2.94456 Alpha virt. eigenvalues -- 3.10576 3.13119 4.00621 4.10575 4.12767 Alpha virt. eigenvalues -- 4.25203 4.26809 4.36206 4.37018 4.44858 Alpha virt. eigenvalues -- 4.48935 4.64965 4.87449 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 1 1 C 1S 0.00002 -0.00001 0.00004 -0.00011 -0.00022 2 2S 0.00013 -0.00008 0.00012 -0.00041 -0.00085 3 2PX 0.00000 0.00002 0.00003 -0.00010 -0.00008 4 2PY 0.00000 0.00000 0.00006 -0.00008 -0.00015 5 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 6 3S -0.00104 0.00048 -0.00079 0.00148 0.00369 7 3PX -0.00001 -0.00013 -0.00019 0.00090 0.00076 8 3PY -0.00047 0.00015 -0.00067 0.00037 0.00137 9 3PZ -0.00002 -0.00024 -0.00037 0.00000 -0.00002 10 4XX -0.00002 0.00002 0.00004 -0.00005 -0.00013 11 4YY 0.00001 -0.00001 0.00004 -0.00020 -0.00028 12 4ZZ 0.00002 0.00000 0.00003 -0.00013 -0.00020 13 4XY 0.00001 -0.00001 -0.00002 0.00007 0.00010 14 4XZ -0.00002 0.00000 -0.00003 -0.00009 -0.00012 15 4YZ -0.00001 -0.00001 -0.00002 -0.00003 -0.00005 16 2 H 1S 0.00001 -0.00001 -0.00002 -0.00006 -0.00005 17 2S -0.00010 0.00003 -0.00025 -0.00007 0.00001 18 3 C 1S -0.00002 0.00001 -0.00002 -0.00008 -0.00004 19 2S -0.00009 0.00006 -0.00007 -0.00010 -0.00006 20 2PX -0.00001 0.00000 -0.00002 -0.00007 -0.00005 21 2PY 0.00001 0.00001 -0.00005 -0.00001 0.00000 22 2PZ 0.00001 -0.00002 0.00001 0.00003 -0.00001 23 3S 0.00105 -0.00051 0.00019 0.00041 -0.00110 24 3PX 0.00043 -0.00019 0.00024 -0.00002 -0.00054 25 3PY 0.00025 0.00011 0.00025 -0.00017 -0.00035 26 3PZ 0.00028 -0.00006 0.00019 -0.00007 -0.00056 27 4XX -0.00001 0.00000 -0.00001 -0.00006 -0.00003 28 4YY -0.00002 0.00002 -0.00003 -0.00006 -0.00005 29 4ZZ -0.00003 0.00003 -0.00003 -0.00007 -0.00004 30 4XY 0.00000 0.00001 0.00001 -0.00002 -0.00001 31 4XZ 0.00002 -0.00002 0.00002 0.00000 0.00001 32 4YZ -0.00001 0.00000 0.00000 -0.00006 -0.00006 33 4 H 1S 0.00000 0.00002 0.00003 0.00001 -0.00002 34 2S 0.00010 0.00001 0.00012 -0.00020 -0.00028 35 5 C 1S 0.00002 0.00001 -0.00002 -0.00008 0.00004 36 2S 0.00010 0.00006 -0.00007 -0.00010 0.00006 37 2PX 0.00001 0.00000 -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 -0.00106 -0.00049 0.00019 0.00041 0.00110 41 3PX -0.00043 -0.00018 0.00024 -0.00002 0.00054 42 3PY 0.00024 -0.00011 -0.00025 0.00017 -0.00035 43 3PZ -0.00028 -0.00006 0.00019 -0.00007 0.00056 44 4XX 0.00001 0.00000 -0.00001 -0.00006 0.00003 45 4YY 0.00002 0.00002 -0.00003 -0.00006 0.00005 46 4ZZ 0.00003 0.00003 -0.00003 -0.00007 0.00004 47 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 48 4XZ -0.00002 -0.00002 0.00002 0.00000 -0.00001 49 4YZ -0.00001 0.00000 0.00000 0.00006 -0.00006 50 6 H 1S 0.00000 0.00002 0.00003 0.00001 0.00002 51 2S -0.00010 0.00001 0.00012 -0.00020 0.00028 52 7 C 1S -0.00002 -0.00001 0.00004 -0.00011 0.00022 53 2S -0.00013 -0.00008 0.00012 -0.00041 0.00085 54 2PX 0.00000 0.00002 0.00003 -0.00010 0.00008 55 2PY 0.00000 0.00000 -0.00006 0.00008 -0.00015 56 2PZ 0.00000 0.00001 0.00003 -0.00003 0.00010 57 3S 0.00105 0.00046 -0.00079 0.00148 -0.00369 58 3PX 0.00001 -0.00013 -0.00019 0.00090 -0.00076 59 3PY -0.00047 -0.00014 0.00067 -0.00037 0.00137 60 3PZ 0.00001 -0.00024 -0.00037 0.00000 0.00002 61 4XX 0.00002 0.00002 0.00004 -0.00005 0.00013 62 4YY -0.00001 -0.00001 0.00004 -0.00020 0.00028 63 4ZZ -0.00002 0.00000 0.00003 -0.00013 0.00020 64 4XY 0.00001 0.00001 0.00002 -0.00007 0.00010 65 4XZ 0.00002 0.00000 -0.00003 -0.00009 0.00012 66 4YZ -0.00001 0.00001 0.00002 0.00003 -0.00005 67 8 H 1S -0.00001 -0.00001 -0.00002 -0.00006 0.00005 68 2S 0.00010 0.00002 -0.00025 -0.00007 -0.00001 69 9 C 1S -0.00001 -0.00001 -0.00002 -0.00010 -0.00014 70 2S -0.00003 -0.00005 -0.00005 -0.00012 -0.00029 71 2PX -0.00003 0.00000 -0.00006 -0.00013 -0.00015 72 2PY -0.00001 -0.00001 -0.00004 -0.00004 0.00001 73 2PZ 0.00003 -0.00002 0.00000 0.00020 0.00028 74 3S 0.00037 0.00033 0.00051 -0.00023 0.00029 75 3PX -0.00004 0.00012 0.00002 0.00054 0.00141 76 3PY 0.00018 -0.00008 -0.00001 0.00019 0.00084 77 3PZ -0.00045 0.00009 -0.00041 -0.00027 -0.00056 78 4XX -0.00003 0.00000 -0.00003 -0.00006 -0.00011 79 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 80 4ZZ 0.00000 -0.00003 0.00002 -0.00011 -0.00016 81 4XY 0.00000 0.00000 -0.00002 -0.00001 0.00005 82 4XZ 0.00003 -0.00001 0.00003 0.00001 0.00003 83 4YZ -0.00001 0.00000 0.00001 0.00004 -0.00003 84 10 H 1S 0.00002 -0.00002 0.00001 0.00005 0.00013 85 2S 0.00012 -0.00003 0.00012 0.00049 0.00082 86 11 H 1S -0.00009 0.00004 -0.00007 -0.00004 -0.00018 87 2S 0.00030 -0.00033 0.00010 -0.00027 -0.00023 88 12 C 1S 0.00001 -0.00001 -0.00002 -0.00010 0.00014 89 2S 0.00003 -0.00005 -0.00005 -0.00012 0.00029 90 2PX 0.00003 0.00000 -0.00006 -0.00013 0.00015 91 2PY -0.00001 0.00001 0.00004 0.00004 0.00001 92 2PZ -0.00003 -0.00002 0.00000 0.00020 -0.00027 93 3S -0.00036 0.00034 0.00051 -0.00023 -0.00029 94 3PX 0.00004 0.00011 0.00002 0.00054 -0.00141 95 3PY 0.00018 0.00008 0.00001 -0.00019 0.00084 96 3PZ 0.00045 0.00008 -0.00041 -0.00027 0.00056 97 4XX 0.00003 0.00000 -0.00003 -0.00006 0.00011 98 4YY 0.00000 -0.00001 -0.00002 -0.00010 0.00010 99 4ZZ -0.00001 -0.00003 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 -0.00001 0.00000 -0.00001 -0.00004 -0.00003 103 13 H 1S -0.00002 -0.00002 0.00001 0.00005 -0.00013 104 2S -0.00012 -0.00003 0.00012 0.00049 -0.00082 105 14 H 1S 0.00009 0.00004 -0.00007 -0.00004 0.00018 106 2S -0.00031 -0.00032 0.00010 -0.00027 0.00023 107 15 C 1S 0.00000 0.00002 0.99303 0.00001 0.00000 108 2S 0.00000 0.00035 0.04864 -0.00058 0.00000 109 2PX 0.00000 -0.00016 -0.00077 -0.00008 0.00000 110 2PY 0.00042 0.00000 0.00000 0.00000 0.00008 111 2PZ 0.00000 -0.00021 -0.00067 -0.00010 0.00000 112 3S -0.00003 -0.00286 -0.01350 0.00274 0.00000 113 3PX 0.00000 0.00043 0.00060 -0.00136 0.00000 114 3PY -0.00114 0.00001 0.00000 0.00000 0.00025 115 3PZ 0.00001 0.00058 -0.00001 -0.00099 0.00000 116 4XX 0.00000 0.00008 -0.00875 0.00007 0.00000 117 4YY 0.00000 0.00039 -0.00875 0.00003 0.00000 118 4ZZ 0.00000 0.00010 -0.00878 0.00002 0.00000 119 4XY -0.00013 0.00000 0.00000 0.00000 0.00002 120 4XZ 0.00000 0.00009 0.00006 0.00025 0.00000 121 4YZ -0.00017 0.00000 0.00000 0.00000 0.00003 122 16 C 1S -0.00001 0.00000 -0.00012 0.70199 0.70242 123 2S -0.00017 0.00026 -0.00038 0.03460 0.03561 124 2PX -0.00021 0.00016 0.00006 0.00041 0.00036 125 2PY 0.00009 -0.00012 -0.00014 -0.00024 0.00010 126 2PZ -0.00017 0.00012 0.00002 0.00060 0.00067 127 3S 0.00177 -0.00141 0.00089 -0.00716 -0.01899 128 3PX 0.00100 -0.00046 0.00066 0.00005 -0.00024 129 3PY -0.00041 0.00050 0.00057 0.00047 -0.00480 130 3PZ 0.00091 -0.00032 0.00080 -0.00080 -0.00264 131 4XX -0.00011 0.00006 0.00007 -0.00639 -0.00611 132 4YY -0.00015 0.00000 -0.00003 -0.00645 -0.00590 133 4ZZ -0.00006 0.00001 -0.00003 -0.00635 -0.00604 134 4XY 0.00004 -0.00007 0.00004 -0.00009 0.00002 135 4XZ -0.00006 0.00004 0.00018 0.00019 0.00019 136 4YZ 0.00003 -0.00007 0.00000 0.00007 0.00001 137 17 C 1S 0.00001 0.00000 -0.00012 0.70208 -0.70233 138 2S 0.00018 0.00026 -0.00038 0.03460 -0.03560 139 2PX 0.00022 0.00015 0.00006 0.00041 -0.00036 140 2PY 0.00009 0.00012 0.00014 0.00024 0.00010 141 2PZ 0.00017 0.00012 0.00002 0.00060 -0.00067 142 3S -0.00179 -0.00137 0.00089 -0.00716 0.01899 143 3PX -0.00101 -0.00044 0.00066 0.00005 0.00024 144 3PY -0.00042 -0.00049 -0.00057 -0.00047 -0.00480 145 3PZ -0.00092 -0.00030 0.00080 -0.00080 0.00264 146 4XX 0.00011 0.00006 0.00007 -0.00639 0.00611 147 4YY 0.00015 -0.00001 -0.00003 -0.00645 0.00589 148 4ZZ 0.00006 0.00001 -0.00003 -0.00635 0.00604 149 4XY 0.00004 0.00007 -0.00004 0.00009 0.00002 150 4XZ 0.00006 0.00004 0.00018 0.00019 -0.00019 151 4YZ 0.00003 0.00007 0.00000 -0.00007 0.00001 152 18 H 1S 0.00000 0.00018 -0.00018 -0.00007 0.00000 153 2S 0.00000 0.00013 0.00240 0.00015 0.00000 154 19 H 1S -0.00004 0.00011 0.00006 -0.00026 -0.00012 155 2S 0.00006 0.00011 0.00039 0.00139 0.00070 156 20 H 1S 0.00004 0.00011 0.00006 -0.00026 0.00012 157 2S -0.00006 0.00011 0.00039 0.00139 -0.00070 158 21 H 1S 0.00000 0.00011 -0.00007 -0.00013 0.00000 159 2S 0.00000 0.00017 0.00276 -0.00005 0.00000 160 22 O 1S 0.70885 0.69498 -0.00007 -0.00003 0.00014 161 2S 0.01833 0.01806 0.00001 0.00009 0.00035 162 2PX -0.00019 -0.00018 -0.00009 0.00008 -0.00006 163 2PY -0.00064 -0.00060 0.00000 -0.00004 -0.00003 164 2PZ -0.00008 -0.00005 -0.00006 0.00006 -0.00002 165 3S 0.00956 0.00910 0.00114 0.00000 -0.00351 166 3PX -0.00033 -0.00017 0.00053 -0.00028 0.00045 167 3PY -0.00020 -0.00033 0.00039 0.00072 0.00031 168 3PZ -0.00011 -0.00010 0.00039 -0.00014 -0.00008 169 4XX -0.00589 -0.00574 -0.00010 -0.00015 0.00038 170 4YY -0.00590 -0.00584 -0.00050 -0.00004 0.00038 171 4ZZ -0.00589 -0.00574 -0.00002 -0.00008 0.00034 172 4XY 0.00001 0.00000 0.00016 -0.00009 0.00017 173 4XZ -0.00001 -0.00004 -0.00020 -0.00032 0.00037 174 4YZ 0.00001 0.00001 0.00020 -0.00004 0.00013 175 23 O 1S -0.69497 0.70885 -0.00007 -0.00003 -0.00014 176 2S -0.01797 0.01842 0.00001 0.00009 -0.00035 177 2PX 0.00018 -0.00019 -0.00009 0.00008 0.00006 178 2PY -0.00063 0.00061 0.00000 0.00004 -0.00003 179 2PZ 0.00008 -0.00006 -0.00006 0.00006 0.00002 180 3S -0.00938 0.00929 0.00114 0.00000 0.00351 181 3PX 0.00033 -0.00018 0.00053 -0.00028 -0.00045 182 3PY -0.00020 0.00034 -0.00039 -0.00072 0.00031 183 3PZ 0.00011 -0.00011 0.00039 -0.00014 0.00008 184 4XX 0.00577 -0.00585 -0.00010 -0.00015 -0.00038 185 4YY 0.00578 -0.00596 -0.00050 -0.00004 -0.00038 186 4ZZ 0.00577 -0.00586 -0.00002 -0.00008 -0.00034 187 4XY 0.00001 0.00000 -0.00016 0.00009 0.00017 188 4XZ 0.00001 -0.00004 -0.00020 -0.00032 -0.00037 189 4YZ 0.00001 -0.00001 -0.00020 0.00004 0.00013 6 7 8 9 10 O O O O O Eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18020 -10.16936 1 1 C 1S -0.70049 0.70362 -0.01399 -0.01383 -0.01235 2 2S -0.03641 0.03523 -0.00083 -0.00073 -0.00083 3 2PX -0.00031 0.00011 -0.00001 0.00004 0.00019 4 2PY -0.00052 0.00011 -0.00005 0.00002 -0.00009 5 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 6 3S 0.02205 -0.01259 0.00286 0.00391 0.00250 7 3PX -0.00038 -0.00019 0.00061 0.00047 -0.00092 8 3PY 0.00666 -0.00114 0.00038 0.00097 0.00061 9 3PZ 0.00040 -0.00005 0.00168 0.00178 -0.00083 10 4XX 0.00595 -0.00642 -0.00001 0.00007 -0.00002 11 4YY 0.00584 -0.00622 0.00008 0.00004 0.00009 12 4ZZ 0.00599 -0.00635 -0.00013 -0.00010 0.00000 13 4XY 0.00004 -0.00010 -0.00003 -0.00007 0.00003 14 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 15 4YZ 0.00003 -0.00003 -0.00006 -0.00003 0.00001 16 2 H 1S 0.00021 -0.00012 -0.00011 -0.00006 -0.00004 17 2S -0.00025 0.00169 -0.00002 -0.00006 0.00009 18 3 C 1S -0.01173 0.01213 -0.00068 -0.00056 0.70179 19 2S -0.00009 0.00020 -0.00022 -0.00022 0.03485 20 2PX 0.00000 -0.00013 -0.00005 -0.00008 0.00024 21 2PY -0.00015 0.00006 -0.00007 0.00004 -0.00014 22 2PZ 0.00013 -0.00016 -0.00011 -0.00007 -0.00002 23 3S -0.01073 0.00328 0.00052 0.00042 -0.00762 24 3PX -0.00401 0.00119 0.00034 0.00050 -0.00092 25 3PY -0.00107 -0.00042 -0.00003 -0.00006 0.00067 26 3PZ -0.00430 0.00111 0.00032 0.00030 -0.00042 27 4XX 0.00022 -0.00023 -0.00007 -0.00004 -0.00672 28 4YY 0.00030 -0.00021 -0.00002 -0.00003 -0.00677 29 4ZZ 0.00025 -0.00026 -0.00004 -0.00003 -0.00665 30 4XY -0.00010 0.00013 -0.00007 -0.00002 0.00000 31 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 32 4YZ -0.00009 0.00009 0.00000 0.00005 0.00001 33 4 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 34 2S -0.00114 0.00030 0.00026 0.00024 0.00135 35 5 C 1S 0.01179 0.01207 -0.00068 0.00056 0.70180 36 2S 0.00009 0.00020 -0.00022 0.00022 0.03485 37 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 38 2PY -0.00015 -0.00006 0.00007 0.00004 0.00014 39 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 40 3S 0.01074 0.00323 0.00052 -0.00042 -0.00762 41 3PX 0.00402 0.00117 0.00034 -0.00050 -0.00092 42 3PY -0.00107 0.00043 0.00003 -0.00006 -0.00067 43 3PZ 0.00431 0.00108 0.00032 -0.00030 -0.00042 44 4XX -0.00022 -0.00023 -0.00007 0.00004 -0.00672 45 4YY -0.00030 -0.00021 -0.00002 0.00003 -0.00677 46 4ZZ -0.00025 -0.00026 -0.00004 0.00003 -0.00665 47 4XY -0.00010 -0.00012 0.00007 -0.00002 0.00000 48 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 49 4YZ -0.00009 -0.00009 0.00000 0.00005 -0.00001 50 6 H 1S 0.00007 -0.00007 0.00001 -0.00001 -0.00031 51 2S 0.00114 0.00030 0.00026 -0.00024 0.00135 52 7 C 1S 0.70393 0.70019 -0.01399 0.01383 -0.01235 53 2S 0.03658 0.03505 -0.00083 0.00073 -0.00083 54 2PX 0.00031 0.00011 -0.00001 -0.00004 0.00019 55 2PY -0.00052 -0.00011 0.00005 0.00002 0.00009 56 2PZ 0.00005 -0.00001 -0.00012 -0.00008 0.00010 57 3S -0.02211 -0.01248 0.00286 -0.00391 0.00250 58 3PX 0.00038 -0.00019 0.00061 -0.00047 -0.00092 59 3PY 0.00666 0.00111 -0.00038 0.00097 -0.00061 60 3PZ -0.00040 -0.00005 0.00168 -0.00178 -0.00083 61 4XX -0.00598 -0.00639 -0.00001 -0.00007 -0.00002 62 4YY -0.00587 -0.00619 0.00008 -0.00004 0.00009 63 4ZZ -0.00602 -0.00632 -0.00013 0.00010 0.00000 64 4XY 0.00004 0.00010 0.00003 -0.00007 -0.00003 65 4XZ 0.00004 0.00016 -0.00004 0.00002 -0.00008 66 4YZ 0.00003 0.00003 0.00006 -0.00003 -0.00001 67 8 H 1S -0.00021 -0.00012 -0.00011 0.00006 -0.00004 68 2S 0.00025 0.00169 -0.00002 0.00006 0.00009 69 9 C 1S -0.01365 0.01388 0.70193 0.70228 0.00037 70 2S -0.00034 0.00051 0.03530 0.03603 -0.00015 71 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 72 2PY -0.00007 0.00001 -0.00003 0.00003 -0.00004 73 2PZ 0.00022 0.00005 -0.00014 -0.00020 0.00004 74 3S -0.00754 0.00279 -0.01068 -0.01973 0.00034 75 3PX 0.00213 -0.00039 -0.00002 0.00000 -0.00037 76 3PY -0.00037 -0.00041 0.00121 -0.00268 -0.00002 77 3PZ 0.00302 -0.00128 0.00086 0.00192 -0.00019 78 4XX 0.00016 -0.00023 -0.00627 -0.00601 -0.00007 79 4YY 0.00021 -0.00025 -0.00664 -0.00597 -0.00005 80 4ZZ 0.00019 -0.00033 -0.00637 -0.00611 0.00000 81 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 82 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 83 4YZ 0.00015 -0.00017 -0.00006 0.00005 0.00002 84 10 H 1S 0.00039 -0.00012 -0.00009 0.00020 -0.00005 85 2S 0.00013 0.00014 0.00178 0.00177 -0.00014 86 11 H 1S 0.00013 -0.00010 -0.00010 0.00031 0.00001 87 2S -0.00060 0.00010 0.00220 0.00211 0.00030 88 12 C 1S 0.01372 0.01381 0.70203 -0.70218 0.00037 89 2S 0.00034 0.00050 0.03530 -0.03602 -0.00015 90 2PX 0.00010 0.00004 0.00001 -0.00002 0.00010 91 2PY -0.00007 -0.00001 0.00003 0.00003 0.00004 92 2PZ -0.00022 0.00005 -0.00014 0.00020 0.00004 93 3S 0.00755 0.00276 -0.01068 0.01973 0.00034 94 3PX -0.00213 -0.00038 -0.00002 0.00000 -0.00037 95 3PY -0.00037 0.00041 -0.00121 -0.00268 0.00002 96 3PZ -0.00303 -0.00127 0.00086 -0.00192 -0.00019 97 4XX -0.00016 -0.00023 -0.00628 0.00601 -0.00007 98 4YY -0.00021 -0.00025 -0.00664 0.00597 -0.00005 99 4ZZ -0.00019 -0.00033 -0.00637 0.00611 0.00000 100 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 101 4XZ -0.00007 -0.00006 -0.00003 0.00004 0.00004 102 4YZ 0.00015 0.00017 0.00006 0.00005 -0.00002 103 13 H 1S -0.00039 -0.00012 -0.00009 -0.00020 -0.00005 104 2S -0.00013 0.00014 0.00178 -0.00177 -0.00014 105 14 H 1S -0.00013 -0.00010 -0.00010 -0.00031 0.00001 106 2S 0.00060 0.00010 0.00220 -0.00211 0.00030 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 108 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 109 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 110 2PY 0.00012 0.00000 0.00000 -0.00002 0.00000 111 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 112 3S 0.00000 -0.00087 0.00104 0.00000 0.00030 113 3PX 0.00000 0.00065 -0.00041 0.00000 0.00000 114 3PY -0.00024 0.00000 0.00000 0.00026 0.00000 115 3PZ 0.00000 -0.00018 0.00032 0.00000 -0.00006 116 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 117 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 118 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 119 4XY -0.00005 0.00000 0.00000 -0.00003 0.00000 120 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 121 4YZ 0.00004 0.00000 0.00000 -0.00002 0.00000 122 16 C 1S 0.00019 -0.00010 0.00002 -0.00002 0.00002 123 2S 0.00127 -0.00058 -0.00013 -0.00039 -0.00005 124 2PX -0.00020 0.00010 0.00004 0.00004 0.00014 125 2PY -0.00009 -0.00004 -0.00016 0.00001 0.00000 126 2PZ 0.00006 -0.00003 -0.00015 -0.00021 0.00000 127 3S -0.00923 0.00248 0.00024 0.00368 -0.00014 128 3PX 0.00091 -0.00052 0.00033 0.00111 -0.00080 129 3PY -0.00198 -0.00058 0.00049 0.00201 0.00015 130 3PZ -0.00317 0.00067 0.00081 0.00242 -0.00038 131 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 132 4YY 0.00025 -0.00016 -0.00008 -0.00005 -0.00006 133 4ZZ 0.00024 -0.00016 -0.00008 -0.00012 -0.00013 134 4XY 0.00005 0.00007 -0.00002 -0.00005 0.00006 135 4XZ 0.00003 -0.00007 0.00005 0.00009 -0.00008 136 4YZ -0.00004 -0.00006 -0.00006 0.00004 0.00006 137 17 C 1S -0.00020 -0.00010 0.00002 0.00002 0.00002 138 2S -0.00128 -0.00058 -0.00013 0.00039 -0.00005 139 2PX 0.00020 0.00010 0.00004 -0.00004 0.00014 140 2PY -0.00009 0.00004 0.00016 0.00001 0.00000 141 2PZ -0.00006 -0.00003 -0.00015 0.00021 0.00000 142 3S 0.00925 0.00243 0.00024 -0.00368 -0.00014 143 3PX -0.00091 -0.00052 0.00033 -0.00111 -0.00080 144 3PY -0.00197 0.00059 -0.00049 0.00201 -0.00015 145 3PZ 0.00317 0.00066 0.00081 -0.00242 -0.00038 146 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 147 4YY -0.00025 -0.00016 -0.00008 0.00005 -0.00006 148 4ZZ -0.00024 -0.00016 -0.00008 0.00012 -0.00013 149 4XY 0.00005 -0.00007 0.00002 -0.00005 -0.00006 150 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 151 4YZ -0.00004 0.00006 0.00006 0.00004 -0.00006 152 18 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 153 2S 0.00000 -0.00026 0.00013 0.00000 -0.00005 154 19 H 1S 0.00022 -0.00014 0.00008 0.00014 -0.00011 155 2S -0.00040 -0.00028 0.00057 0.00118 -0.00007 156 20 H 1S -0.00022 -0.00014 0.00008 -0.00014 -0.00011 157 2S 0.00039 -0.00028 0.00057 -0.00118 -0.00007 158 21 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 159 2S 0.00000 0.00032 -0.00076 0.00000 -0.00006 160 22 O 1S 0.00010 0.00003 0.00006 -0.00003 -0.00004 161 2S 0.00051 0.00014 0.00028 -0.00016 -0.00019 162 2PX -0.00007 -0.00004 -0.00001 -0.00002 0.00000 163 2PY -0.00003 0.00000 -0.00002 -0.00003 0.00001 164 2PZ 0.00002 -0.00002 0.00002 0.00001 0.00003 165 3S -0.00308 -0.00074 -0.00149 0.00146 0.00102 166 3PX 0.00131 0.00048 0.00023 -0.00053 -0.00029 167 3PY 0.00048 -0.00009 0.00044 -0.00020 -0.00015 168 3PZ 0.00022 0.00026 -0.00015 -0.00022 -0.00032 169 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 170 4YY 0.00031 0.00010 0.00011 -0.00007 -0.00011 171 4ZZ 0.00036 0.00013 0.00019 -0.00006 -0.00009 172 4XY -0.00006 -0.00001 -0.00004 0.00004 0.00004 173 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 174 4YZ 0.00000 0.00001 0.00001 0.00004 0.00004 175 23 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 176 2S -0.00051 0.00014 0.00028 0.00016 -0.00019 177 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 178 2PY -0.00003 0.00000 0.00002 -0.00003 -0.00001 179 2PZ -0.00002 -0.00002 0.00002 -0.00001 0.00003 180 3S 0.00308 -0.00075 -0.00149 -0.00146 0.00102 181 3PX -0.00130 0.00048 0.00023 0.00053 -0.00029 182 3PY 0.00048 0.00009 -0.00044 -0.00020 0.00015 183 3PZ -0.00021 0.00026 -0.00015 0.00022 -0.00032 184 4XX -0.00012 0.00002 0.00016 -0.00001 -0.00008 185 4YY -0.00031 0.00010 0.00011 0.00007 -0.00011 186 4ZZ -0.00036 0.00013 0.00019 0.00006 -0.00009 187 4XY -0.00006 0.00001 0.00004 0.00004 -0.00004 188 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00005 189 4YZ 0.00000 -0.00001 -0.00001 0.00004 -0.00004 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82909 -0.76591 1 1 C 1S -0.01205 -0.00188 0.00246 -0.09140 0.01322 2 2S -0.00074 0.00225 -0.00017 0.17063 -0.02626 3 2PX 0.00009 0.00154 -0.00109 -0.02432 0.01434 4 2PY -0.00010 0.00063 0.00058 0.04654 -0.00801 5 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01051 6 3S 0.00446 0.00685 -0.02164 0.13186 -0.01329 7 3PX -0.00093 0.00007 -0.00423 -0.00049 0.00160 8 3PY 0.00161 0.00219 -0.01160 0.01392 0.00134 9 3PZ -0.00061 -0.00034 -0.00365 0.00078 -0.00606 10 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 11 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 12 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 13 4XY 0.00005 0.00001 -0.00005 -0.00343 0.00111 14 4XZ -0.00016 0.00007 -0.00012 0.00599 -0.00192 15 4YZ 0.00006 -0.00001 -0.00009 0.00074 -0.00092 16 2 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00454 17 2S 0.00012 0.00104 -0.00364 0.00635 0.00024 18 3 C 1S 0.70209 -0.00034 -0.00002 -0.09538 0.01853 19 2S 0.03558 0.00232 -0.00271 0.18221 -0.03475 20 2PX 0.00026 0.00108 -0.00075 0.03994 -0.00118 21 2PY 0.00029 0.00042 0.00050 0.02998 -0.00676 22 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00784 23 3S -0.01698 -0.00444 0.02195 0.11188 -0.03008 24 3PX -0.00240 -0.00291 0.00854 0.00063 -0.00202 25 3PY -0.00338 -0.00016 0.01026 0.00183 -0.00013 26 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 27 4XX -0.00646 0.00025 -0.00018 -0.00440 0.00179 28 4YY -0.00611 0.00030 -0.00009 0.00298 -0.00056 29 4ZZ -0.00637 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 0.00005 0.00006 0.00046 -0.00014 33 4 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00829 34 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 35 5 C 1S -0.70208 -0.00034 0.00002 -0.09538 0.01853 36 2S -0.03558 0.00232 0.00271 0.18221 -0.03475 37 2PX -0.00026 0.00108 0.00075 0.03994 -0.00117 38 2PY 0.00029 -0.00042 0.00050 -0.02998 0.00676 39 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 40 3S 0.01698 -0.00444 -0.02195 0.11188 -0.03008 41 3PX 0.00240 -0.00291 -0.00854 0.00063 -0.00202 42 3PY -0.00338 0.00016 0.01026 -0.00183 0.00013 43 3PZ 0.00172 -0.00115 -0.00564 -0.00174 -0.00222 44 4XX 0.00646 0.00025 0.00018 -0.00440 0.00179 45 4YY 0.00611 0.00030 0.00009 0.00298 -0.00056 46 4ZZ 0.00637 0.00041 0.00045 -0.00337 0.00066 47 4XY -0.00012 -0.00008 0.00026 0.00028 -0.00023 48 4XZ -0.00014 -0.00007 -0.00015 0.00711 -0.00167 49 4YZ -0.00004 -0.00005 0.00006 -0.00046 0.00014 50 6 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00829 51 2S -0.00075 -0.00043 -0.00320 0.00181 -0.00145 52 7 C 1S 0.01205 -0.00188 -0.00246 -0.09140 0.01322 53 2S 0.00074 0.00225 0.00017 0.17063 -0.02626 54 2PX -0.00009 0.00154 0.00109 -0.02432 0.01434 55 2PY -0.00010 -0.00063 0.00058 -0.04654 0.00801 56 2PZ -0.00002 -0.00023 -0.00070 0.00317 -0.01051 57 3S -0.00446 0.00685 0.02164 0.13186 -0.01329 58 3PX 0.00093 0.00007 0.00423 -0.00049 0.00160 59 3PY 0.00161 -0.00219 -0.01160 -0.01392 -0.00134 60 3PZ 0.00061 -0.00034 0.00365 0.00078 -0.00606 61 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 62 4YY 0.00006 -0.00028 -0.00082 0.00086 -0.00027 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 0.03736 -0.00454 68 2S -0.00012 0.00104 0.00364 0.00635 0.00024 69 9 C 1S 0.00026 -0.00166 0.00115 -0.08158 0.02466 70 2S -0.00014 0.00239 -0.00198 0.15286 -0.04711 71 2PX 0.00007 0.00108 -0.00111 -0.01409 0.00546 72 2PY 0.00003 -0.00017 0.00083 0.01819 -0.00662 73 2PZ 0.00009 -0.00087 0.00018 -0.03441 0.00014 74 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 75 3PX -0.00035 0.00161 -0.00280 -0.00242 0.00123 76 3PY 0.00006 0.00162 -0.00171 0.00282 -0.00327 77 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 78 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 79 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 80 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 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 0.03921 -0.01538 85 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 86 11 H 1S 0.00002 0.00209 -0.00254 0.03706 -0.01329 87 2S 0.00032 0.00186 -0.00187 0.00200 -0.00618 88 12 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 89 2S 0.00014 0.00239 0.00198 0.15286 -0.04711 90 2PX -0.00007 0.00108 0.00111 -0.01409 0.00546 91 2PY 0.00003 0.00017 0.00083 -0.01819 0.00662 92 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 93 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03489 94 3PX 0.00035 0.00161 0.00280 -0.00242 0.00123 95 3PY 0.00006 -0.00162 -0.00171 -0.00282 0.00327 96 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 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 -0.00012 103 13 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 104 2S 0.00007 0.00121 0.00136 0.00320 -0.00367 105 14 H 1S -0.00002 0.00209 0.00254 0.03706 -0.01329 106 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 107 15 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 108 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 109 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 110 2PY 0.00002 0.00000 0.12748 0.00000 0.00000 111 2PZ 0.00000 -0.05993 0.00000 0.00672 -0.00417 112 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 113 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 114 3PY -0.00011 0.00000 0.00620 0.00000 0.00000 115 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 116 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 117 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 118 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 119 4XY 0.00000 0.00000 -0.01755 0.00000 0.00000 120 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 121 4YZ 0.00001 0.00000 -0.01777 0.00000 0.00000 122 16 C 1S 0.00001 -0.05621 0.04408 -0.02570 -0.12240 123 2S 0.00003 0.10426 -0.08664 0.05206 0.24580 124 2PX 0.00007 0.05979 -0.06053 -0.01488 0.02205 125 2PY 0.00003 0.00911 0.04361 0.01419 0.06650 126 2PZ 0.00003 0.04382 -0.04454 0.00150 -0.00992 127 3S -0.00084 0.03495 0.00910 0.03217 0.17211 128 3PX -0.00159 -0.00366 0.01821 -0.00320 -0.00226 129 3PY -0.00011 -0.00021 0.01692 0.00195 0.01028 130 3PZ -0.00139 -0.00408 0.02569 -0.00107 -0.00590 131 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 132 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 133 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 134 4XY -0.00002 -0.00226 0.00613 -0.00011 -0.00065 135 4XZ -0.00007 0.01131 -0.01155 -0.00055 0.00474 136 4YZ 0.00005 -0.00084 0.00358 0.00100 0.00231 137 17 C 1S -0.00001 -0.05621 -0.04408 -0.02570 -0.12240 138 2S -0.00003 0.10426 0.08664 0.05206 0.24580 139 2PX -0.00007 0.05979 0.06053 -0.01488 0.02205 140 2PY 0.00003 -0.00911 0.04361 -0.01419 -0.06650 141 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00992 142 3S 0.00084 0.03495 -0.00910 0.03217 0.17211 143 3PX 0.00159 -0.00366 -0.01821 -0.00320 -0.00226 144 3PY -0.00011 0.00021 0.01692 -0.00195 -0.01028 145 3PZ 0.00139 -0.00408 -0.02568 -0.00107 -0.00590 146 4XX 0.00012 0.00382 0.00644 -0.00140 -0.00970 147 4YY 0.00005 -0.00147 -0.00861 0.00137 0.00604 148 4ZZ 0.00006 -0.00073 0.00180 -0.00082 -0.00696 149 4XY -0.00002 0.00226 0.00613 0.00011 0.00065 150 4XZ 0.00007 0.01131 0.01155 -0.00055 0.00474 151 4YZ 0.00005 0.00084 0.00358 -0.00100 -0.00231 152 18 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07733 153 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 154 19 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06813 155 2S -0.00031 -0.00345 0.00847 0.00255 0.01258 156 20 H 1S 0.00023 0.01251 0.01447 0.01509 0.06813 157 2S 0.00031 -0.00345 -0.00847 0.00255 0.01258 158 21 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 159 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 160 22 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 161 2S 0.00030 0.28412 0.33479 -0.02049 -0.03360 162 2PX -0.00002 -0.02242 -0.03040 -0.02008 -0.12266 163 2PY 0.00000 -0.08689 -0.06083 0.00854 0.03560 164 2PZ -0.00003 -0.00834 -0.01425 -0.01174 -0.10844 165 3S -0.00183 0.28832 0.35799 -0.02274 -0.03739 166 3PX 0.00052 -0.00924 -0.02342 -0.00987 -0.05543 167 3PY 0.00020 -0.05298 -0.03672 0.00479 0.01554 168 3PZ 0.00040 -0.00214 -0.01098 -0.00502 -0.04936 169 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 170 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00583 171 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 172 4XY -0.00004 0.00045 0.00198 0.00195 0.01122 173 4XZ -0.00005 0.00716 0.00771 0.00022 0.00388 174 4YZ -0.00003 -0.00191 -0.00021 0.00132 0.01023 175 23 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 176 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03360 177 2PX 0.00002 -0.02242 0.03040 -0.02008 -0.12266 178 2PY 0.00000 0.08689 -0.06083 -0.00854 -0.03560 179 2PZ 0.00003 -0.00833 0.01425 -0.01174 -0.10844 180 3S 0.00183 0.28832 -0.35799 -0.02274 -0.03739 181 3PX -0.00052 -0.00924 0.02342 -0.00987 -0.05543 182 3PY 0.00020 0.05298 -0.03672 -0.00479 -0.01554 183 3PZ -0.00040 -0.00214 0.01098 -0.00502 -0.04936 184 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 185 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00582 186 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 187 4XY -0.00004 -0.00045 0.00198 -0.00195 -0.01122 188 4XZ 0.00005 0.00716 -0.00771 0.00022 0.00388 189 4YZ -0.00003 0.00191 -0.00021 -0.00132 -0.01023 16 17 18 19 20 O O O O O Eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S 0.00745 -0.12444 -0.00049 0.00481 0.02265 2 2S -0.01414 0.24080 0.00018 -0.01120 -0.04691 3 2PX 0.05828 -0.02710 0.01393 0.00121 0.09492 4 2PY -0.01150 0.00554 0.00031 -0.00307 -0.00529 5 2PZ 0.09022 0.00672 -0.00711 -0.04281 0.13780 6 3S -0.01427 0.21043 0.00800 -0.00041 -0.04358 7 3PX 0.00996 -0.00285 -0.00010 0.00201 0.02376 8 3PY -0.00626 0.00250 0.00511 0.00313 0.00098 9 3PZ 0.01542 -0.00011 -0.00379 -0.01692 0.03504 10 4XX -0.00218 -0.00700 -0.00029 0.00204 -0.00229 11 4YY -0.00061 -0.00073 0.00012 -0.00009 -0.00081 12 4ZZ 0.00531 -0.00138 -0.00010 -0.00213 0.00682 13 4XY 0.00503 -0.00333 0.00124 -0.00048 0.00396 14 4XZ -0.00163 0.00666 -0.00099 -0.00147 -0.00267 15 4YZ 0.00739 0.00133 -0.00059 -0.00148 0.00523 16 2 H 1S -0.00149 0.07839 0.00120 -0.00006 -0.01615 17 2S -0.00162 0.01907 0.00015 0.00331 -0.00473 18 3 C 1S 0.10571 -0.06442 0.01274 -0.00728 0.08066 19 2S -0.20538 0.12809 -0.02553 0.01533 -0.16377 20 2PX -0.00705 0.04458 0.01059 0.00457 -0.02124 21 2PY -0.05185 -0.07807 -0.00820 -0.00964 0.10415 22 2PZ 0.01101 0.03743 -0.00022 -0.00673 0.00048 23 3S -0.15235 0.07288 -0.02503 0.00481 -0.12772 24 3PX 0.00248 -0.00657 0.00269 -0.00316 0.00806 25 3PY -0.00493 -0.02229 -0.00068 -0.00246 0.03748 26 3PZ 0.00882 -0.01008 -0.00274 -0.00497 0.01708 27 4XX 0.00670 0.00004 0.00186 0.00029 0.00146 28 4YY -0.00490 -0.00641 -0.00089 -0.00069 0.00748 29 4ZZ 0.00601 0.00096 0.00004 -0.00053 0.00056 30 4XY -0.00085 -0.00408 0.00012 -0.00034 0.00109 31 4XZ -0.00472 0.00713 -0.00107 0.00002 -0.00613 32 4YZ -0.00176 -0.00269 -0.00031 0.00080 -0.00192 33 4 H 1S -0.06122 0.03836 -0.01005 0.00877 -0.08123 34 2S -0.01269 0.00262 -0.00389 0.00345 -0.02734 35 5 C 1S 0.10571 0.06442 0.01274 0.00728 -0.08066 36 2S -0.20538 -0.12809 -0.02553 -0.01533 0.16377 37 2PX -0.00705 -0.04458 0.01059 -0.00457 0.02124 38 2PY 0.05185 -0.07806 0.00820 -0.00964 0.10415 39 2PZ 0.01101 -0.03743 -0.00022 0.00673 -0.00047 40 3S -0.15235 -0.07288 -0.02503 -0.00481 0.12772 41 3PX 0.00248 0.00657 0.00269 0.00316 -0.00806 42 3PY 0.00493 -0.02229 0.00068 -0.00246 0.03748 43 3PZ 0.00882 0.01008 -0.00274 0.00497 -0.01708 44 4XX 0.00670 -0.00004 0.00186 -0.00029 -0.00146 45 4YY -0.00490 0.00641 -0.00089 0.00069 -0.00748 46 4ZZ 0.00601 -0.00096 0.00004 0.00053 -0.00056 47 4XY 0.00085 -0.00408 -0.00012 -0.00034 0.00109 48 4XZ -0.00472 -0.00713 -0.00107 -0.00002 0.00613 49 4YZ 0.00176 -0.00269 0.00031 0.00080 -0.00192 50 6 H 1S -0.06122 -0.03836 -0.01005 -0.00877 0.08123 51 2S -0.01269 -0.00262 -0.00389 -0.00345 0.02734 52 7 C 1S 0.00744 0.12444 -0.00049 -0.00481 -0.02265 53 2S -0.01414 -0.24080 0.00018 0.01120 0.04691 54 2PX 0.05828 0.02710 0.01393 -0.00121 -0.09492 55 2PY 0.01149 0.00554 -0.00031 -0.00307 -0.00528 56 2PZ 0.09022 -0.00672 -0.00711 0.04281 -0.13780 57 3S -0.01427 -0.21043 0.00800 0.00041 0.04358 58 3PX 0.00996 0.00285 -0.00010 -0.00201 -0.02376 59 3PY 0.00625 0.00250 -0.00511 0.00313 0.00098 60 3PZ 0.01542 0.00011 -0.00379 0.01692 -0.03504 61 4XX -0.00218 0.00700 -0.00029 -0.00204 0.00229 62 4YY -0.00061 0.00073 0.00012 0.00009 0.00081 63 4ZZ 0.00531 0.00138 -0.00010 0.00213 -0.00682 64 4XY -0.00503 -0.00333 -0.00124 -0.00048 0.00396 65 4XZ -0.00163 -0.00666 -0.00099 0.00147 0.00267 66 4YZ -0.00739 0.00133 0.00059 -0.00148 0.00523 67 8 H 1S -0.00149 -0.07839 0.00120 0.00006 0.01615 68 2S -0.00162 -0.01907 0.00015 -0.00331 0.00473 69 9 C 1S -0.11130 -0.06711 0.00649 0.03434 -0.09318 70 2S 0.21419 0.13009 -0.01234 -0.06897 0.18930 71 2PX 0.00844 -0.01551 0.00763 0.00344 0.01269 72 2PY 0.03641 -0.06529 -0.00104 0.03478 -0.09507 73 2PZ 0.01722 -0.04148 -0.00619 -0.00550 0.02002 74 3S 0.18757 0.10778 -0.01228 -0.06573 0.17955 75 3PX 0.00519 -0.00524 0.00451 -0.00040 0.00931 76 3PY 0.00547 -0.01783 0.00001 0.00861 -0.03889 77 3PZ 0.00638 -0.00270 -0.00014 -0.00279 0.01636 78 4XX -0.00074 0.00076 0.00011 -0.00151 0.00477 79 4YY 0.00374 -0.00741 -0.00015 0.00369 -0.01016 80 4ZZ -0.00473 0.00513 0.00047 -0.00010 -0.00048 81 4XY -0.00066 0.00119 0.00021 -0.00017 -0.00150 82 4XZ -0.00196 0.00236 -0.00017 0.00002 -0.00246 83 4YZ -0.00143 0.00345 -0.00009 0.00087 -0.00254 84 10 H 1S 0.06842 0.04374 -0.00807 -0.03306 0.08667 85 2S 0.01612 0.00723 -0.00284 -0.01302 0.03160 86 11 H 1S 0.07058 0.04275 -0.00106 -0.03080 0.09334 87 2S 0.01290 0.00874 -0.00180 -0.01475 0.03179 88 12 C 1S -0.11130 0.06711 0.00649 -0.03434 0.09318 89 2S 0.21419 -0.13009 -0.01234 0.06897 -0.18930 90 2PX 0.00844 0.01551 0.00763 -0.00344 -0.01269 91 2PY -0.03641 -0.06529 0.00104 0.03478 -0.09507 92 2PZ 0.01722 0.04147 -0.00619 0.00550 -0.02002 93 3S 0.18757 -0.10778 -0.01228 0.06573 -0.17955 94 3PX 0.00519 0.00524 0.00451 0.00040 -0.00931 95 3PY -0.00547 -0.01783 -0.00001 0.00861 -0.03889 96 3PZ 0.00638 0.00270 -0.00014 0.00279 -0.01636 97 4XX -0.00074 -0.00076 0.00011 0.00151 -0.00477 98 4YY 0.00374 0.00741 -0.00015 -0.00369 0.01016 99 4ZZ -0.00473 -0.00513 0.00047 0.00010 0.00048 100 4XY 0.00066 0.00119 -0.00021 -0.00017 -0.00150 101 4XZ -0.00196 -0.00236 -0.00017 -0.00002 0.00246 102 4YZ 0.00143 0.00345 0.00009 0.00087 -0.00254 103 13 H 1S 0.06842 -0.04374 -0.00807 0.03306 -0.08667 104 2S 0.01612 -0.00723 -0.00284 0.01302 -0.03160 105 14 H 1S 0.07058 -0.04275 -0.00106 0.03080 -0.09334 106 2S 0.01290 -0.00874 -0.00180 0.01475 -0.03179 107 15 C 1S 0.00912 0.00000 -0.12225 0.00000 0.00000 108 2S -0.01981 0.00000 0.25808 0.00000 0.00000 109 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 110 2PY 0.00000 0.01880 0.00000 0.21589 0.06315 111 2PZ 0.00607 0.00000 0.06779 0.00000 0.00000 112 3S -0.01503 0.00000 0.24383 0.00000 0.00000 113 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 114 3PY 0.00000 0.00189 0.00000 0.05677 0.01521 115 3PZ -0.00182 0.00000 0.02828 0.00000 0.00000 116 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 117 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 118 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 119 4XY 0.00000 -0.00129 0.00000 -0.01287 -0.00324 120 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 121 4YZ 0.00000 -0.00186 0.00000 -0.01406 -0.00448 122 16 C 1S -0.00475 -0.01207 -0.07241 -0.09541 -0.02252 123 2S 0.00928 0.02323 0.14729 0.19676 0.04504 124 2PX 0.00303 -0.01226 -0.08531 0.03099 0.01198 125 2PY 0.00304 -0.01516 0.15594 -0.13078 -0.03064 126 2PZ 0.00726 0.00044 -0.08059 -0.01988 0.00233 127 3S 0.00867 0.02695 0.12860 0.18872 0.05488 128 3PX 0.00050 -0.00446 -0.02247 -0.00190 0.00808 129 3PY -0.00014 0.00038 0.02897 -0.02718 -0.00269 130 3PZ 0.00263 0.00237 -0.01968 -0.01219 0.00727 131 4XX -0.00120 -0.00037 -0.01419 -0.00289 -0.00136 132 4YY 0.00015 -0.00102 0.00714 -0.00733 -0.00180 133 4ZZ 0.00048 -0.00010 -0.00463 0.00003 0.00049 134 4XY -0.00019 0.00103 0.00809 -0.00478 -0.00178 135 4XZ -0.00033 -0.00044 -0.00622 0.00762 0.00190 136 4YZ 0.00006 0.00039 0.00772 0.00423 0.00014 137 17 C 1S -0.00475 0.01207 -0.07241 0.09541 0.02252 138 2S 0.00928 -0.02323 0.14729 -0.19676 -0.04504 139 2PX 0.00303 0.01226 -0.08531 -0.03099 -0.01198 140 2PY -0.00304 -0.01516 -0.15594 -0.13078 -0.03064 141 2PZ 0.00726 -0.00044 -0.08060 0.01988 -0.00233 142 3S 0.00867 -0.02695 0.12860 -0.18872 -0.05488 143 3PX 0.00050 0.00446 -0.02247 0.00190 -0.00808 144 3PY 0.00014 0.00038 -0.02897 -0.02718 -0.00269 145 3PZ 0.00263 -0.00237 -0.01968 0.01219 -0.00727 146 4XX -0.00120 0.00037 -0.01419 0.00289 0.00136 147 4YY 0.00015 0.00102 0.00714 0.00733 0.00180 148 4ZZ 0.00048 0.00010 -0.00463 -0.00003 -0.00049 149 4XY 0.00019 0.00103 -0.00809 -0.00478 -0.00178 150 4XZ -0.00033 0.00044 -0.00622 -0.00762 -0.00190 151 4YZ -0.00006 0.00039 -0.00772 0.00424 0.00014 152 18 H 1S -0.00772 0.00000 0.11585 0.00000 0.00000 153 2S 0.00021 0.00000 0.03820 0.00000 0.00000 154 19 H 1S -0.00058 0.01420 0.05359 0.11567 0.02287 155 2S -0.00151 0.00614 0.01636 0.04773 0.01077 156 20 H 1S -0.00058 -0.01420 0.05359 -0.11567 -0.02287 157 2S -0.00151 -0.00614 0.01636 -0.04773 -0.01077 158 21 H 1S -0.00191 0.00000 0.11587 0.00000 0.00000 159 2S 0.00654 0.00000 0.03555 0.00000 0.00000 160 22 O 1S 0.00235 -0.00715 0.07106 -0.02548 -0.00812 161 2S -0.00547 0.01658 -0.16574 0.05880 0.01852 162 2PX -0.01378 0.01549 0.07315 0.18527 0.05832 163 2PY 0.00429 -0.00677 -0.08876 -0.05654 -0.01761 164 2PZ -0.00318 0.00676 0.06653 0.16880 0.04087 165 3S -0.00824 0.02076 -0.22093 0.08044 0.03086 166 3PX -0.00676 0.00714 0.02849 0.08559 0.02719 167 3PY 0.00336 -0.00377 -0.04835 -0.02425 -0.00915 168 3PZ -0.00013 0.00252 0.02632 0.07956 0.01599 169 4XX 0.00056 -0.00102 -0.00023 -0.00599 -0.00168 170 4YY -0.00086 0.00046 0.01009 0.00336 0.00116 171 4ZZ 0.00012 -0.00029 0.00085 -0.00283 -0.00068 172 4XY 0.00114 -0.00052 -0.00146 -0.00716 -0.00216 173 4XZ -0.00032 -0.00003 0.00109 -0.00506 -0.00057 174 4YZ 0.00038 -0.00035 -0.00257 -0.00696 -0.00168 175 23 O 1S 0.00235 0.00715 0.07106 0.02548 0.00812 176 2S -0.00547 -0.01658 -0.16574 -0.05880 -0.01852 177 2PX -0.01378 -0.01549 0.07315 -0.18527 -0.05832 178 2PY -0.00429 -0.00677 0.08875 -0.05654 -0.01761 179 2PZ -0.00318 -0.00676 0.06653 -0.16880 -0.04087 180 3S -0.00824 -0.02076 -0.22093 -0.08044 -0.03086 181 3PX -0.00676 -0.00714 0.02849 -0.08559 -0.02719 182 3PY -0.00336 -0.00377 0.04835 -0.02425 -0.00915 183 3PZ -0.00013 -0.00252 0.02633 -0.07957 -0.01599 184 4XX 0.00056 0.00102 -0.00023 0.00599 0.00168 185 4YY -0.00086 -0.00046 0.01009 -0.00336 -0.00115 186 4ZZ 0.00012 0.00029 0.00085 0.00283 0.00068 187 4XY -0.00114 -0.00052 0.00146 -0.00716 -0.00216 188 4XZ -0.00032 0.00003 0.00109 0.00506 0.00057 189 4YZ -0.00038 -0.00035 0.00257 -0.00696 -0.00168 21 22 23 24 25 O O O O O Eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 1 1 C 1S -0.10221 0.01243 0.00592 0.00758 0.06160 2 2S 0.20674 -0.02605 -0.01127 -0.01797 -0.12766 3 2PX 0.00354 0.00928 0.04266 -0.01429 -0.07387 4 2PY -0.07521 -0.01895 -0.04311 0.19958 0.11923 5 2PZ -0.00524 -0.00864 -0.02147 0.01121 -0.01966 6 3S 0.19341 -0.02642 -0.01500 -0.01836 -0.14637 7 3PX 0.00839 0.00956 0.01712 0.00485 -0.03067 8 3PY -0.03143 -0.00912 -0.02111 0.08102 0.04704 9 3PZ -0.00419 -0.00263 -0.00588 0.01019 -0.00078 10 4XX -0.00818 0.00096 0.00299 0.00020 0.00863 11 4YY 0.00404 -0.00063 0.00064 -0.00238 -0.01114 12 4ZZ -0.00854 0.00206 0.00006 -0.00181 0.00992 13 4XY -0.00041 0.00000 0.00187 -0.00216 -0.00005 14 4XZ -0.00002 -0.00128 0.00078 -0.00152 0.00499 15 4YZ 0.00150 0.00002 -0.00103 -0.00081 -0.00209 16 2 H 1S 0.11678 0.00021 0.02012 -0.11150 -0.13178 17 2S 0.05092 0.00380 0.01350 -0.06812 -0.08344 18 3 C 1S 0.05700 -0.00370 -0.00457 0.00524 -0.06954 19 2S -0.11519 0.00603 0.00981 -0.00986 0.14349 20 2PX 0.08938 -0.01931 -0.02768 0.11644 -0.06288 21 2PY -0.13462 0.00267 -0.00744 0.12252 -0.08211 22 2PZ 0.08849 -0.03279 -0.05976 0.14406 -0.07087 23 3S -0.10505 0.01671 0.01738 -0.01926 0.15380 24 3PX 0.02722 -0.00291 -0.00619 0.03702 -0.02733 25 3PY -0.02907 -0.00142 -0.00400 0.03502 -0.03358 26 3PZ 0.02889 -0.00949 -0.01936 0.04669 -0.03177 27 4XX 0.00703 -0.00040 0.00076 0.00090 -0.00320 28 4YY -0.00385 0.00038 0.00101 -0.00204 -0.00904 29 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 0.00280 30 4XY -0.00455 0.00015 0.00020 0.00210 0.00786 31 4XZ 0.00046 -0.00055 -0.00003 -0.00131 0.00555 32 4YZ -0.00466 0.00026 0.00027 0.00046 0.00926 33 4 H 1S -0.06454 0.01841 0.03454 -0.12050 0.13843 34 2S -0.02740 0.01176 0.02239 -0.08522 0.08665 35 5 C 1S 0.05700 -0.00370 -0.00457 0.00524 0.06954 36 2S -0.11519 0.00603 0.00981 -0.00986 -0.14349 37 2PX 0.08938 -0.01931 -0.02768 0.11644 0.06288 38 2PY 0.13461 -0.00267 0.00744 -0.12253 -0.08211 39 2PZ 0.08850 -0.03279 -0.05976 0.14405 0.07087 40 3S -0.10505 0.01671 0.01738 -0.01926 -0.15380 41 3PX 0.02722 -0.00291 -0.00619 0.03702 0.02733 42 3PY 0.02907 0.00142 0.00400 -0.03502 -0.03358 43 3PZ 0.02889 -0.00949 -0.01936 0.04669 0.03177 44 4XX 0.00703 -0.00040 0.00076 0.00090 0.00320 45 4YY -0.00385 0.00038 0.00101 -0.00204 0.00904 46 4ZZ 0.00294 -0.00007 -0.00049 -0.00341 -0.00280 47 4XY 0.00455 -0.00015 -0.00020 -0.00210 0.00786 48 4XZ 0.00046 -0.00055 -0.00003 -0.00131 -0.00555 49 4YZ 0.00466 -0.00026 -0.00027 -0.00046 0.00926 50 6 H 1S -0.06454 0.01841 0.03454 -0.12050 -0.13843 51 2S -0.02740 0.01176 0.02239 -0.08522 -0.08665 52 7 C 1S -0.10221 0.01243 0.00592 0.00758 -0.06160 53 2S 0.20674 -0.02605 -0.01127 -0.01797 0.12766 54 2PX 0.00354 0.00928 0.04266 -0.01429 0.07387 55 2PY 0.07521 0.01895 0.04311 -0.19958 0.11923 56 2PZ -0.00524 -0.00864 -0.02147 0.01120 0.01967 57 3S 0.19341 -0.02642 -0.01500 -0.01836 0.14637 58 3PX 0.00839 0.00956 0.01712 0.00485 0.03067 59 3PY 0.03143 0.00912 0.02111 -0.08102 0.04704 60 3PZ -0.00418 -0.00263 -0.00588 0.01018 0.00078 61 4XX -0.00818 0.00096 0.00299 0.00020 -0.00863 62 4YY 0.00404 -0.00063 0.00064 -0.00238 0.01114 63 4ZZ -0.00854 0.00206 0.00006 -0.00181 -0.00992 64 4XY 0.00041 0.00000 -0.00187 0.00216 -0.00005 65 4XZ -0.00002 -0.00128 0.00078 -0.00152 -0.00499 66 4YZ -0.00150 -0.00002 0.00103 0.00081 -0.00209 67 8 H 1S 0.11678 0.00021 0.02012 -0.11150 0.13178 68 2S 0.05092 0.00380 0.01350 -0.06812 0.08344 69 9 C 1S 0.04252 -0.00808 0.00682 0.00557 -0.04544 70 2S -0.08562 0.01802 -0.01495 -0.01014 0.09134 71 2PX -0.02395 0.00211 0.09665 -0.03187 0.00773 72 2PY -0.07742 0.00185 -0.02339 0.08419 -0.03414 73 2PZ -0.10178 0.03755 0.00528 -0.10168 0.10452 74 3S -0.08413 0.01120 -0.01993 -0.02787 0.12229 75 3PX -0.00901 -0.00468 0.04047 -0.01506 0.00726 76 3PY -0.02419 0.00042 -0.00272 0.03836 -0.00864 77 3PZ -0.03481 0.01451 -0.00661 -0.04013 0.04434 78 4XX -0.00235 0.00083 0.00328 -0.00497 0.00641 79 4YY -0.00228 0.00097 -0.00078 -0.00095 -0.00754 80 4ZZ 0.00760 -0.00105 -0.00188 0.00213 -0.00294 81 4XY 0.00165 -0.00026 -0.00069 -0.00075 -0.00126 82 4XZ 0.00378 -0.00097 0.00063 0.00323 -0.00274 83 4YZ 0.00494 -0.00010 0.00095 -0.00328 -0.00987 84 10 H 1S -0.04640 0.01879 -0.03239 -0.04631 0.08454 85 2S -0.02136 0.00974 -0.01511 -0.03115 0.05214 86 11 H 1S -0.04246 0.01138 0.05538 -0.04762 0.06776 87 2S -0.01761 0.01371 0.05149 -0.02203 0.03710 88 12 C 1S 0.04252 -0.00808 0.00682 0.00557 0.04544 89 2S -0.08562 0.01802 -0.01495 -0.01014 -0.09134 90 2PX -0.02395 0.00211 0.09665 -0.03187 -0.00773 91 2PY 0.07742 -0.00185 0.02339 -0.08419 -0.03414 92 2PZ -0.10177 0.03755 0.00528 -0.10169 -0.10452 93 3S -0.08413 0.01120 -0.01993 -0.02787 -0.12229 94 3PX -0.00901 -0.00468 0.04047 -0.01506 -0.00726 95 3PY 0.02419 -0.00042 0.00272 -0.03836 -0.00864 96 3PZ -0.03481 0.01451 -0.00661 -0.04013 -0.04434 97 4XX -0.00235 0.00083 0.00328 -0.00497 -0.00641 98 4YY -0.00228 0.00097 -0.00078 -0.00096 0.00754 99 4ZZ 0.00760 -0.00105 -0.00188 0.00213 0.00294 100 4XY -0.00165 0.00026 0.00069 0.00075 -0.00126 101 4XZ 0.00378 -0.00097 0.00063 0.00323 0.00274 102 4YZ -0.00494 0.00010 -0.00095 0.00328 -0.00987 103 13 H 1S -0.04640 0.01879 -0.03239 -0.04631 -0.08454 104 2S -0.02136 0.00974 -0.01511 -0.03115 -0.05214 105 14 H 1S -0.04246 0.01138 0.05538 -0.04763 -0.06776 106 2S -0.01761 0.01371 0.05149 -0.02203 -0.03710 107 15 C 1S -0.00096 -0.01077 -0.00554 0.00026 0.00000 108 2S 0.00286 0.02344 0.00837 -0.00201 0.00000 109 2PX 0.01562 0.22010 -0.14690 -0.00047 0.00000 110 2PY 0.00000 0.00000 -0.00001 0.00000 0.07077 111 2PZ 0.00729 0.07974 0.30137 0.09951 0.00000 112 3S 0.00474 0.04137 0.02727 0.00855 0.00000 113 3PX 0.00845 0.08451 -0.07301 -0.00356 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.02803 115 3PZ 0.00408 0.01925 0.11941 0.04302 0.00000 116 4XX -0.00055 -0.00014 -0.00211 -0.00084 0.00000 117 4YY 0.00114 -0.00245 -0.00482 -0.00048 0.00000 118 4ZZ -0.00100 -0.00010 0.00614 0.00098 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00227 120 4XZ -0.00164 -0.01453 -0.00686 -0.00449 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00290 122 16 C 1S 0.00937 -0.01088 -0.00407 -0.00035 0.00588 123 2S -0.02082 0.02184 0.00862 0.00108 -0.01078 124 2PX -0.02355 -0.04638 -0.05096 -0.03424 0.05261 125 2PY -0.04753 -0.19532 -0.06027 -0.03874 0.01149 126 2PZ 0.00370 -0.15380 0.06749 0.01085 0.03788 127 3S -0.00964 0.04435 0.01528 0.00642 -0.01816 128 3PX -0.00746 -0.00763 -0.02763 -0.01432 0.01824 129 3PY -0.01394 -0.06105 -0.01984 -0.01142 0.00885 130 3PZ 0.00437 -0.05090 0.03234 0.00446 0.00578 131 4XX 0.00152 -0.00174 -0.00691 -0.00150 0.00273 132 4YY -0.00087 0.00133 -0.00001 -0.00014 -0.00111 133 4ZZ 0.00115 0.00280 0.00727 0.00239 -0.00125 134 4XY -0.00091 -0.00669 -0.00442 -0.00441 -0.00558 135 4XZ -0.00110 -0.00280 0.00205 -0.00093 0.00325 136 4YZ -0.00074 -0.00165 -0.00110 -0.00030 -0.00424 137 17 C 1S 0.00937 -0.01088 -0.00407 -0.00035 -0.00588 138 2S -0.02082 0.02184 0.00862 0.00108 0.01078 139 2PX -0.02355 -0.04638 -0.05096 -0.03424 -0.05261 140 2PY 0.04753 0.19532 0.06026 0.03874 0.01149 141 2PZ 0.00370 -0.15379 0.06749 0.01085 -0.03788 142 3S -0.00964 0.04435 0.01528 0.00642 0.01816 143 3PX -0.00746 -0.00763 -0.02763 -0.01432 -0.01824 144 3PY 0.01394 0.06105 0.01984 0.01142 0.00885 145 3PZ 0.00437 -0.05090 0.03234 0.00446 -0.00578 146 4XX 0.00152 -0.00174 -0.00691 -0.00150 -0.00273 147 4YY -0.00087 0.00133 -0.00001 -0.00014 0.00111 148 4ZZ 0.00115 0.00280 0.00727 0.00239 0.00125 149 4XY 0.00091 0.00669 0.00442 0.00441 -0.00558 150 4XZ -0.00110 -0.00280 0.00205 -0.00093 -0.00325 151 4YZ 0.00074 0.00165 0.00110 0.00030 -0.00424 152 18 H 1S 0.00690 0.10834 -0.09034 -0.00870 0.00000 153 2S 0.00243 0.06408 -0.05002 -0.00280 0.00000 154 19 H 1S 0.00746 0.12877 0.00465 0.00975 -0.03701 155 2S 0.00580 0.07793 0.00772 0.00248 -0.02724 156 20 H 1S 0.00746 0.12877 0.00465 0.00975 0.03701 157 2S 0.00580 0.07793 0.00772 0.00248 0.02724 158 21 H 1S 0.00034 0.02997 0.17196 0.04820 0.00000 159 2S -0.00428 0.02516 0.10560 0.02522 0.00000 160 22 O 1S -0.00787 -0.02952 -0.00277 -0.01110 0.00414 161 2S 0.01893 0.06741 0.00642 0.02494 -0.00879 162 2PX 0.00464 0.05353 -0.16048 -0.03339 0.06327 163 2PY 0.02735 0.19859 0.08017 0.06940 -0.01147 164 2PZ 0.00852 -0.05734 0.12565 0.03151 0.05851 165 3S 0.02410 0.09922 0.00695 0.04169 -0.02137 166 3PX 0.00460 0.03584 -0.08928 -0.01747 0.03352 167 3PY 0.01586 0.11636 0.04813 0.04077 -0.00387 168 3PZ 0.00533 -0.02719 0.07607 0.01900 0.02975 169 4XX 0.00143 0.00629 0.00441 0.00253 0.00040 170 4YY -0.00199 -0.01676 -0.00726 -0.00596 0.00109 171 4ZZ 0.00065 0.00841 0.00325 0.00174 0.00074 172 4XY -0.00205 -0.01180 0.00815 0.00047 -0.00280 173 4XZ 0.00007 0.00511 -0.00055 0.00080 0.00002 174 4YZ -0.00149 -0.00143 -0.01119 -0.00382 -0.00235 175 23 O 1S -0.00787 -0.02952 -0.00277 -0.01110 -0.00414 176 2S 0.01893 0.06741 0.00642 0.02494 0.00879 177 2PX 0.00464 0.05353 -0.16048 -0.03339 -0.06327 178 2PY -0.02736 -0.19858 -0.08017 -0.06940 -0.01147 179 2PZ 0.00852 -0.05735 0.12565 0.03151 -0.05851 180 3S 0.02410 0.09922 0.00695 0.04169 0.02137 181 3PX 0.00460 0.03584 -0.08928 -0.01747 -0.03352 182 3PY -0.01586 -0.11636 -0.04813 -0.04078 -0.00387 183 3PZ 0.00533 -0.02720 0.07606 0.01900 -0.02975 184 4XX 0.00143 0.00629 0.00441 0.00253 -0.00040 185 4YY -0.00199 -0.01676 -0.00726 -0.00596 -0.00109 186 4ZZ 0.00065 0.00841 0.00325 0.00174 -0.00074 187 4XY 0.00205 0.01180 -0.00815 -0.00047 -0.00280 188 4XZ 0.00007 0.00511 -0.00055 0.00080 -0.00002 189 4YZ 0.00149 0.00143 0.01119 0.00382 -0.00235 26 27 28 29 30 O O O O O Eigenvalues -- -0.44671 -0.44356 -0.44104 -0.40558 -0.39790 1 1 C 1S -0.02373 -0.00061 -0.00396 -0.00060 -0.02736 2 2S 0.04993 -0.00096 0.00776 0.00099 0.06302 3 2PX -0.01210 0.10546 0.03940 0.12512 -0.10099 4 2PY -0.02919 0.01632 -0.00078 -0.03525 0.25433 5 2PZ 0.02249 0.00102 0.04134 0.23682 0.03107 6 3S 0.05782 0.01173 0.01692 0.01216 0.09501 7 3PX -0.00315 0.04405 0.01134 0.03648 -0.04767 8 3PY -0.00935 0.01975 0.00855 -0.00712 0.07515 9 3PZ 0.02116 -0.00502 0.01307 0.08431 0.01005 10 4XX -0.00268 -0.00005 0.00022 -0.00440 0.00056 11 4YY 0.00332 0.00143 0.00081 0.00260 -0.01169 12 4ZZ -0.00431 -0.00111 -0.00159 0.00350 0.00279 13 4XY -0.00059 0.00365 0.00091 0.00120 -0.00320 14 4XZ 0.00067 0.00388 0.00245 -0.00455 -0.00024 15 4YZ 0.00094 -0.00053 0.00121 0.00457 -0.00081 16 2 H 1S 0.03818 -0.00207 0.00458 0.02004 -0.13987 17 2S 0.02416 0.00271 0.00596 0.01915 -0.14216 18 3 C 1S 0.01120 0.00122 -0.00258 0.00504 -0.00674 19 2S -0.02096 -0.00223 0.00790 -0.01054 0.01764 20 2PX 0.01417 0.00930 -0.03106 -0.15431 0.12098 21 2PY 0.01098 0.05722 0.03609 0.19642 0.01491 22 2PZ 0.03528 -0.05811 -0.01679 -0.07677 0.16406 23 3S -0.03569 -0.00521 -0.00334 -0.01433 0.02552 24 3PX -0.00017 0.00838 -0.01601 -0.06152 0.01629 25 3PY -0.00467 0.01738 0.01231 0.07222 0.03692 26 3PZ 0.01226 -0.02818 -0.00606 -0.02508 0.03668 27 4XX -0.00010 0.00217 -0.00089 -0.00437 0.00156 28 4YY 0.00214 0.00037 0.00117 0.00309 -0.00776 29 4ZZ 0.00008 -0.00265 0.00010 0.00260 0.00083 30 4XY -0.00198 0.00173 0.00027 0.00082 -0.00671 31 4XZ -0.00022 -0.00064 0.00069 -0.00131 0.00156 32 4YZ -0.00367 0.00012 0.00047 0.00073 -0.01097 33 4 H 1S -0.03401 0.00334 0.00880 0.01608 -0.11250 34 2S -0.02851 0.00146 0.00538 0.01591 -0.10979 35 5 C 1S -0.01120 0.00122 -0.00258 0.00504 0.00674 36 2S 0.02096 -0.00223 0.00790 -0.01054 -0.01764 37 2PX -0.01417 0.00930 -0.03106 -0.15431 -0.12098 38 2PY 0.01099 -0.05722 -0.03609 -0.19642 0.01492 39 2PZ -0.03528 -0.05812 -0.01679 -0.07678 -0.16406 40 3S 0.03569 -0.00521 -0.00334 -0.01433 -0.02552 41 3PX 0.00017 0.00838 -0.01601 -0.06152 -0.01629 42 3PY -0.00467 -0.01738 -0.01231 -0.07222 0.03692 43 3PZ -0.01226 -0.02818 -0.00606 -0.02508 -0.03668 44 4XX 0.00010 0.00217 -0.00089 -0.00437 -0.00156 45 4YY -0.00214 0.00037 0.00117 0.00309 0.00776 46 4ZZ -0.00008 -0.00265 0.00010 0.00260 -0.00083 47 4XY -0.00198 -0.00173 -0.00027 -0.00082 -0.00671 48 4XZ 0.00022 -0.00064 0.00069 -0.00131 -0.00156 49 4YZ -0.00367 -0.00012 -0.00047 -0.00073 -0.01097 50 6 H 1S 0.03401 0.00334 0.00880 0.01608 0.11250 51 2S 0.02851 0.00146 0.00538 0.01591 0.10979 52 7 C 1S 0.02373 -0.00061 -0.00396 -0.00060 0.02736 53 2S -0.04993 -0.00096 0.00776 0.00099 -0.06302 54 2PX 0.01210 0.10546 0.03940 0.12512 0.10099 55 2PY -0.02919 -0.01632 0.00078 0.03524 0.25433 56 2PZ -0.02249 0.00101 0.04134 0.23682 -0.03106 57 3S -0.05782 0.01173 0.01692 0.01216 -0.09501 58 3PX 0.00315 0.04405 0.01134 0.03648 0.04767 59 3PY -0.00935 -0.01975 -0.00855 0.00711 0.07515 60 3PZ -0.02116 -0.00502 0.01307 0.08431 -0.01004 61 4XX 0.00268 -0.00005 0.00022 -0.00440 -0.00056 62 4YY -0.00332 0.00143 0.00081 0.00260 0.01169 63 4ZZ 0.00431 -0.00111 -0.00159 0.00350 -0.00279 64 4XY -0.00059 -0.00365 -0.00091 -0.00120 -0.00320 65 4XZ -0.00067 0.00388 0.00245 -0.00455 0.00024 66 4YZ 0.00094 0.00053 -0.00121 -0.00457 -0.00081 67 8 H 1S -0.03818 -0.00207 0.00458 0.02004 0.13987 68 2S -0.02416 0.00271 0.00596 0.01915 0.14216 69 9 C 1S 0.01410 -0.00516 -0.00043 0.00003 -0.00885 70 2S -0.03009 0.01142 0.00050 0.00168 0.01673 71 2PX -0.01800 0.22939 0.07293 -0.12354 -0.12745 72 2PY 0.01119 0.01034 -0.01419 -0.14018 0.01426 73 2PZ -0.04250 -0.10555 -0.07153 -0.15616 -0.07839 74 3S -0.04060 0.01707 0.00840 0.00239 0.05379 75 3PX 0.00226 0.10343 0.03542 -0.05637 -0.06031 76 3PY 0.00919 -0.00080 -0.01008 -0.06578 0.03114 77 3PZ -0.02054 -0.04033 -0.02590 -0.07065 -0.02681 78 4XX -0.00244 0.00088 -0.00017 -0.00463 -0.00344 79 4YY 0.00212 0.00102 -0.00008 -0.00205 -0.00505 80 4ZZ 0.00061 -0.00332 -0.00083 0.00507 0.00687 81 4XY 0.00150 -0.00302 -0.00087 0.00124 0.00780 82 4XZ 0.00133 0.00828 0.00354 -0.00200 0.00167 83 4YZ 0.00352 0.00012 0.00057 0.00272 0.00142 84 10 H 1S -0.02578 -0.12773 -0.05405 0.01223 0.02406 85 2S -0.01204 -0.10025 -0.04366 0.00924 0.01494 86 11 H 1S -0.03170 0.09954 0.02824 -0.06370 -0.08254 87 2S -0.02294 0.06367 0.00949 -0.04918 -0.07452 88 12 C 1S -0.01410 -0.00516 -0.00043 0.00003 0.00885 89 2S 0.03009 0.01142 0.00050 0.00168 -0.01673 90 2PX 0.01800 0.22939 0.07293 -0.12354 0.12745 91 2PY 0.01119 -0.01034 0.01419 0.14018 0.01425 92 2PZ 0.04250 -0.10555 -0.07153 -0.15616 0.07839 93 3S 0.04060 0.01707 0.00840 0.00239 -0.05379 94 3PX -0.00226 0.10343 0.03542 -0.05637 0.06031 95 3PY 0.00919 0.00080 0.01008 0.06578 0.03114 96 3PZ 0.02054 -0.04033 -0.02590 -0.07065 0.02681 97 4XX 0.00244 0.00088 -0.00017 -0.00463 0.00344 98 4YY -0.00212 0.00102 -0.00008 -0.00205 0.00505 99 4ZZ -0.00061 -0.00332 -0.00083 0.00507 -0.00687 100 4XY 0.00150 0.00302 0.00087 -0.00124 0.00780 101 4XZ -0.00133 0.00828 0.00354 -0.00200 -0.00167 102 4YZ 0.00352 -0.00012 -0.00057 -0.00272 0.00142 103 13 H 1S 0.02578 -0.12773 -0.05405 0.01223 -0.02406 104 2S 0.01204 -0.10025 -0.04366 0.00924 -0.01494 105 14 H 1S 0.03170 0.09954 0.02824 -0.06370 0.08254 106 2S 0.02294 0.06367 0.00949 -0.04918 0.07452 107 15 C 1S 0.00000 0.01987 -0.02040 -0.00014 0.00000 108 2S 0.00000 -0.04360 0.04007 0.00102 0.00000 109 2PX 0.00000 0.00869 0.29899 -0.03915 0.00000 110 2PY 0.19149 0.00000 0.00000 0.00000 -0.00993 111 2PZ 0.00000 -0.19838 0.06924 0.01122 0.00000 112 3S 0.00000 -0.05147 0.05404 0.00650 0.00000 113 3PX 0.00000 -0.00573 0.10989 -0.00775 0.00000 114 3PY 0.08924 0.00000 0.00000 0.00000 0.00178 115 3PZ 0.00000 -0.08660 0.01956 0.01502 0.00000 116 4XX 0.00000 -0.00316 0.02270 -0.00375 0.00000 117 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 118 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 119 4XY -0.00391 0.00000 0.00000 0.00000 -0.00212 120 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 121 4YZ -0.00850 0.00000 0.00000 0.00000 0.00433 122 16 C 1S 0.04334 0.00848 -0.00357 -0.00432 -0.00571 123 2S -0.08673 -0.02293 0.01067 0.00807 0.00806 124 2PX 0.13357 -0.09450 0.13120 -0.02800 0.01138 125 2PY 0.07242 0.02205 -0.00090 0.01148 -0.00264 126 2PZ 0.20086 -0.03049 0.16379 -0.02587 -0.02553 127 3S -0.13910 -0.00856 0.01254 0.01683 0.04802 128 3PX 0.03563 -0.03420 0.04727 -0.00534 0.00372 129 3PY 0.00527 0.00616 -0.00329 -0.00033 0.01917 130 3PZ 0.05306 -0.00399 0.06048 -0.00698 -0.01614 131 4XX 0.01110 0.00027 0.00659 -0.00395 0.00160 132 4YY -0.00182 0.00045 -0.00230 0.00138 -0.00149 133 4ZZ -0.00420 0.00122 -0.00650 0.00176 -0.00185 134 4XY -0.01347 0.00069 -0.00450 0.00022 -0.00121 135 4XZ 0.00595 -0.00537 0.00274 -0.00138 -0.00025 136 4YZ -0.02186 0.00207 -0.00452 0.00011 0.00320 137 17 C 1S -0.04334 0.00848 -0.00357 -0.00432 0.00571 138 2S 0.08673 -0.02293 0.01067 0.00807 -0.00806 139 2PX -0.13357 -0.09450 0.13120 -0.02801 -0.01138 140 2PY 0.07242 -0.02205 0.00089 -0.01148 -0.00264 141 2PZ -0.20086 -0.03050 0.16379 -0.02587 0.02553 142 3S 0.13910 -0.00856 0.01254 0.01683 -0.04802 143 3PX -0.03563 -0.03420 0.04727 -0.00534 -0.00372 144 3PY 0.00527 -0.00616 0.00329 0.00033 0.01917 145 3PZ -0.05306 -0.00399 0.06048 -0.00698 0.01614 146 4XX -0.01110 0.00027 0.00659 -0.00395 -0.00160 147 4YY 0.00182 0.00045 -0.00230 0.00138 0.00149 148 4ZZ 0.00420 0.00122 -0.00650 0.00176 0.00185 149 4XY -0.01347 -0.00069 0.00450 -0.00022 -0.00121 150 4XZ -0.00595 -0.00537 0.00274 -0.00138 0.00025 151 4YZ -0.02186 -0.00207 0.00452 -0.00011 0.00320 152 18 H 1S 0.00000 -0.00166 0.19586 -0.02668 0.00000 153 2S 0.00000 0.00843 0.14793 -0.02503 0.00000 154 19 H 1S -0.18978 0.01004 -0.08954 0.01443 0.01387 155 2S -0.14822 0.01116 -0.07278 0.00771 0.00332 156 20 H 1S 0.18978 0.01004 -0.08954 0.01443 -0.01387 157 2S 0.14822 0.01116 -0.07278 0.00771 -0.00332 158 21 H 1S 0.00000 -0.12925 0.03821 0.00245 0.00000 159 2S 0.00000 -0.07776 0.03193 -0.01652 0.00000 160 22 O 1S 0.01680 -0.01267 0.02331 -0.00419 0.00047 161 2S -0.03654 0.02832 -0.05156 0.00895 -0.00286 162 2PX 0.20194 0.12881 -0.15373 0.02089 -0.04590 163 2PY -0.02965 0.00068 0.02248 0.01389 0.02104 164 2PZ 0.12175 0.05267 -0.18960 0.04673 0.05294 165 3S -0.08737 0.04951 -0.10461 0.01780 0.00121 166 3PX 0.10901 0.07175 -0.08059 0.01162 -0.03278 167 3PY -0.00786 0.00892 0.00851 0.00961 0.01278 168 3PZ 0.05879 0.02980 -0.10566 0.03040 0.03687 169 4XX -0.00009 -0.00067 0.00830 -0.00066 0.00101 170 4YY 0.00227 -0.00028 -0.00208 -0.00071 -0.00156 171 4ZZ 0.00539 -0.00301 0.00038 -0.00005 -0.00122 172 4XY -0.00858 -0.00645 0.00493 -0.00083 0.00145 173 4XZ 0.00199 -0.00354 0.00343 -0.00036 -0.00144 174 4YZ -0.00511 -0.00045 0.00949 -0.00241 -0.00199 175 23 O 1S -0.01680 -0.01267 0.02331 -0.00419 -0.00047 176 2S 0.03654 0.02832 -0.05156 0.00895 0.00286 177 2PX -0.20194 0.12881 -0.15373 0.02089 0.04590 178 2PY -0.02965 -0.00068 -0.02247 -0.01389 0.02104 179 2PZ -0.12175 0.05267 -0.18960 0.04673 -0.05294 180 3S 0.08737 0.04951 -0.10461 0.01780 -0.00121 181 3PX -0.10901 0.07175 -0.08059 0.01162 0.03278 182 3PY -0.00786 -0.00892 -0.00850 -0.00961 0.01278 183 3PZ -0.05879 0.02980 -0.10566 0.03040 -0.03687 184 4XX 0.00009 -0.00067 0.00830 -0.00066 -0.00101 185 4YY -0.00227 -0.00028 -0.00208 -0.00071 0.00156 186 4ZZ -0.00539 -0.00301 0.00038 -0.00005 0.00122 187 4XY -0.00858 0.00645 -0.00493 0.00083 0.00145 188 4XZ -0.00199 -0.00354 0.00343 -0.00036 0.00144 189 4YZ -0.00511 0.00045 -0.00949 0.00241 -0.00199 31 32 33 34 35 O O O O O Eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S -0.00338 -0.00256 -0.00623 0.00443 -0.00778 2 2S 0.00582 0.00655 0.01853 -0.01276 0.01954 3 2PX -0.00251 0.01301 0.05236 -0.01323 -0.09596 4 2PY -0.01290 0.05038 0.13675 -0.05874 0.02132 5 2PZ 0.01549 0.03912 -0.03081 0.01262 0.06733 6 3S 0.01606 0.01081 -0.01223 0.01657 0.01465 7 3PX -0.00158 -0.01051 0.05379 -0.02956 -0.05666 8 3PY -0.00480 0.00966 0.01682 -0.00962 0.00986 9 3PZ 0.00693 -0.01470 -0.01455 0.00025 0.04226 10 4XX -0.00094 0.00035 0.00514 -0.00165 0.00137 11 4YY 0.00197 -0.00346 -0.00662 0.00265 -0.00410 12 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 13 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 14 4XZ 0.00133 0.00138 0.00401 -0.00235 0.00624 15 4YZ -0.00223 0.01022 -0.00122 0.00048 0.00250 16 2 H 1S 0.01387 -0.03208 -0.07863 0.03237 -0.02009 17 2S 0.01012 -0.03590 -0.08717 0.02909 -0.02221 18 3 C 1S -0.00999 0.01764 -0.01083 0.00563 -0.00511 19 2S 0.02443 -0.04016 0.02195 -0.00836 0.01106 20 2PX 0.02173 -0.07887 0.05002 -0.02594 -0.06475 21 2PY 0.11436 -0.19123 0.00069 0.00045 -0.08214 22 2PZ 0.06210 -0.09335 0.01746 -0.01614 0.08543 23 3S 0.01834 -0.06650 0.07765 -0.05453 0.01056 24 3PX 0.00345 -0.03125 0.03147 -0.02535 -0.03996 25 3PY 0.03863 -0.05037 0.01268 -0.00306 -0.03213 26 3PZ 0.02361 -0.02975 0.01973 -0.01900 0.04540 27 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 28 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 29 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 30 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 31 4XZ -0.00264 0.00609 0.00205 -0.00113 0.00290 32 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 33 4 H 1S -0.06114 0.11467 -0.01200 0.01065 0.01681 34 2S -0.05781 0.11959 -0.00973 0.00874 0.01666 35 5 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 36 2S 0.02443 -0.04016 -0.02195 0.00836 0.01106 37 2PX 0.02173 -0.07887 -0.05002 0.02594 -0.06475 38 2PY -0.11437 0.19124 0.00069 0.00045 0.08214 39 2PZ 0.06210 -0.09334 -0.01746 0.01614 0.08543 40 3S 0.01834 -0.06650 -0.07765 0.05453 0.01056 41 3PX 0.00345 -0.03125 -0.03147 0.02535 -0.03996 42 3PY -0.03863 0.05037 0.01268 -0.00307 0.03213 43 3PZ 0.02361 -0.02974 -0.01973 0.01900 0.04540 44 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 45 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 46 4ZZ -0.00360 0.00916 0.00062 -0.00079 0.00378 47 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 48 4XZ -0.00264 0.00609 -0.00205 0.00113 0.00290 49 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 50 6 H 1S -0.06114 0.11467 0.01200 -0.01065 0.01681 51 2S -0.05781 0.11959 0.00973 -0.00874 0.01666 52 7 C 1S -0.00338 -0.00256 0.00623 -0.00443 -0.00778 53 2S 0.00582 0.00655 -0.01853 0.01276 0.01954 54 2PX -0.00251 0.01301 -0.05236 0.01323 -0.09596 55 2PY 0.01290 -0.05039 0.13675 -0.05874 -0.02133 56 2PZ 0.01550 0.03912 0.03081 -0.01262 0.06733 57 3S 0.01606 0.01081 0.01223 -0.01657 0.01465 58 3PX -0.00158 -0.01051 -0.05379 0.02956 -0.05666 59 3PY 0.00480 -0.00966 0.01682 -0.00962 -0.00986 60 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04226 61 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 62 4YY 0.00197 -0.00346 0.00662 -0.00265 -0.00410 63 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 64 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 65 4XZ 0.00133 0.00138 -0.00401 0.00235 0.00624 66 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 67 8 H 1S 0.01387 -0.03208 0.07863 -0.03237 -0.02009 68 2S 0.01012 -0.03590 0.08717 -0.02909 -0.02221 69 9 C 1S 0.00306 -0.02069 -0.00248 0.00130 -0.00272 70 2S -0.00755 0.04516 -0.00036 -0.00386 0.00793 71 2PX 0.08122 -0.04526 0.15595 -0.08167 0.08062 72 2PY -0.07396 0.21892 0.01046 -0.00257 -0.04209 73 2PZ 0.00720 -0.16428 -0.09245 0.04279 -0.06564 74 3S -0.00372 0.08486 0.04621 0.00035 -0.00102 75 3PX 0.03275 -0.01866 0.06140 -0.02252 0.03263 76 3PY -0.03468 0.09033 0.04180 -0.01346 -0.01866 77 3PZ 0.01609 -0.08314 -0.06035 0.02689 -0.02495 78 4XX 0.00435 -0.01048 0.00122 -0.00088 0.00329 79 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 80 4ZZ -0.00110 -0.00220 -0.00012 0.00014 -0.00286 81 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 82 4XZ 0.00447 0.00227 0.00668 -0.00433 0.00978 83 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 84 10 H 1S -0.02004 -0.07973 -0.11099 0.05668 -0.05822 85 2S -0.02532 -0.07535 -0.09567 0.05380 -0.06182 86 11 H 1S 0.06090 -0.08551 0.08472 -0.04665 0.05425 87 2S 0.04165 -0.08607 0.09766 -0.06874 0.05668 88 12 C 1S 0.00306 -0.02069 0.00248 -0.00130 -0.00272 89 2S -0.00755 0.04516 0.00036 0.00386 0.00793 90 2PX 0.08122 -0.04526 -0.15595 0.08167 0.08062 91 2PY 0.07396 -0.21891 0.01045 -0.00256 0.04209 92 2PZ 0.00720 -0.16429 0.09245 -0.04279 -0.06564 93 3S -0.00372 0.08486 -0.04621 -0.00035 -0.00102 94 3PX 0.03275 -0.01866 -0.06140 0.02252 0.03263 95 3PY 0.03468 -0.09033 0.04180 -0.01346 0.01866 96 3PZ 0.01609 -0.08315 0.06036 -0.02689 -0.02495 97 4XX 0.00435 -0.01048 -0.00122 0.00088 0.00329 98 4YY -0.00171 0.00682 0.00236 -0.00079 -0.00059 99 4ZZ -0.00110 -0.00220 0.00012 -0.00014 -0.00286 100 4XY 0.00073 -0.00052 -0.01121 0.00586 0.00004 101 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 102 4YZ -0.00023 -0.00023 0.00379 -0.00186 -0.00002 103 13 H 1S -0.02004 -0.07973 0.11099 -0.05668 -0.05822 104 2S -0.02532 -0.07535 0.09567 -0.05380 -0.06182 105 14 H 1S 0.06090 -0.08551 -0.08472 0.04665 0.05425 106 2S 0.04165 -0.08607 -0.09766 0.06874 0.05668 107 15 C 1S -0.03130 -0.01593 0.00000 0.00000 0.02086 108 2S 0.07640 0.03965 0.00000 0.00000 -0.05254 109 2PX -0.15448 -0.07159 0.00000 0.00000 -0.06521 110 2PY 0.00000 0.00000 -0.06919 -0.17971 0.00000 111 2PZ -0.01810 0.00012 0.00000 0.00000 0.17945 112 3S 0.08254 0.04564 0.00000 0.00000 -0.06787 113 3PX -0.06702 -0.03035 0.00000 0.00000 -0.00660 114 3PY 0.00000 0.00000 -0.02101 -0.00551 0.00000 115 3PZ -0.02680 0.00025 0.00000 0.00000 0.04819 116 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 117 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 118 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01775 119 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 120 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00392 121 4YZ 0.00000 0.00000 -0.00761 0.01714 0.00000 122 16 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 123 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 124 2PX 0.11955 0.02817 -0.05552 0.07432 0.12387 125 2PY -0.23108 -0.11832 -0.00835 0.00354 0.18251 126 2PZ -0.09962 -0.03292 0.08252 0.04468 -0.12771 127 3S -0.05887 -0.02341 0.07144 0.10610 0.00159 128 3PX 0.05942 0.01762 -0.05556 -0.00859 0.08671 129 3PY -0.05968 -0.02882 0.01932 0.05217 0.05864 130 3PZ -0.04602 -0.00577 0.03759 -0.01251 -0.08091 131 4XX 0.01016 0.00359 -0.00612 0.00543 0.00039 132 4YY -0.00909 -0.00439 -0.00395 -0.01151 0.00544 133 4ZZ 0.00693 0.00473 0.00789 0.00274 -0.00897 134 4XY 0.00675 0.00170 0.00604 0.00330 0.00188 135 4XZ 0.00732 0.00269 0.00251 0.00900 -0.00648 136 4YZ 0.00407 0.00262 -0.00412 0.00351 -0.00620 137 17 C 1S 0.01689 0.00694 0.01729 0.03094 -0.00027 138 2S -0.03769 -0.01690 -0.03518 -0.07034 0.00351 139 2PX 0.11955 0.02817 0.05552 -0.07432 0.12387 140 2PY 0.23108 0.11833 -0.00835 0.00355 -0.18251 141 2PZ -0.09961 -0.03292 -0.08252 -0.04468 -0.12771 142 3S -0.05887 -0.02341 -0.07144 -0.10610 0.00159 143 3PX 0.05942 0.01762 0.05556 0.00859 0.08671 144 3PY 0.05969 0.02882 0.01932 0.05216 -0.05864 145 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 146 4XX 0.01016 0.00359 0.00612 -0.00543 0.00039 147 4YY -0.00909 -0.00439 0.00395 0.01151 0.00544 148 4ZZ 0.00693 0.00473 -0.00789 -0.00274 -0.00897 149 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 150 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 151 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 152 18 H 1S -0.05864 -0.02633 0.00000 0.00000 -0.10328 153 2S -0.06677 -0.02973 0.00000 0.00000 -0.09892 154 19 H 1S 0.10332 0.05197 -0.00695 0.00528 -0.04078 155 2S 0.09582 0.05555 -0.01356 -0.00958 -0.05590 156 20 H 1S 0.10332 0.05197 0.00695 -0.00528 -0.04078 157 2S 0.09582 0.05555 0.01356 0.00958 -0.05590 158 21 H 1S 0.05619 0.02390 0.00000 0.00000 0.12007 159 2S 0.05455 0.01111 0.00000 0.00000 0.15196 160 22 O 1S 0.03751 0.01425 -0.01760 -0.03612 -0.01841 161 2S -0.07462 -0.02608 0.03965 0.07270 0.03595 162 2PX -0.04359 -0.02396 0.17543 0.06750 0.13863 163 2PY -0.20892 -0.08342 0.09719 0.41166 0.10604 164 2PZ -0.11691 -0.03178 -0.20953 0.03330 -0.09786 165 3S -0.17860 -0.07433 0.06345 0.13343 0.08452 166 3PX -0.02994 -0.01451 0.12787 0.04961 0.09597 167 3PY -0.12845 -0.05037 0.06190 0.27480 0.06920 168 3PZ -0.07705 -0.02162 -0.13953 0.02380 -0.06027 169 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 170 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 171 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 172 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00211 173 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 174 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 175 23 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 176 2S -0.07462 -0.02608 -0.03965 -0.07270 0.03595 177 2PX -0.04359 -0.02396 -0.17543 -0.06750 0.13863 178 2PY 0.20892 0.08342 0.09718 0.41166 -0.10603 179 2PZ -0.11691 -0.03177 0.20953 -0.03328 -0.09787 180 3S -0.17860 -0.07433 -0.06345 -0.13343 0.08452 181 3PX -0.02994 -0.01451 -0.12787 -0.04961 0.09597 182 3PY 0.12845 0.05037 0.06189 0.27480 -0.06920 183 3PZ -0.07705 -0.02162 0.13953 -0.02379 -0.06027 184 4XX -0.00403 -0.00040 0.00514 -0.00060 -0.01004 185 4YY 0.01542 0.00641 0.00348 0.02028 -0.00698 186 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 187 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 188 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 189 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31943 -0.31708 -0.28626 -0.19801 1 1 C 1S -0.01043 0.00118 -0.00072 0.01248 -0.01316 2 2S 0.02696 0.00313 0.00765 -0.02322 0.02809 3 2PX 0.08860 0.10026 -0.06197 -0.12502 0.25642 4 2PY 0.05355 0.02347 0.18182 -0.07743 0.08082 5 2PZ 0.10171 0.23178 0.05581 0.04045 -0.15997 6 3S 0.02196 -0.05077 -0.02049 -0.06289 0.04141 7 3PX 0.04268 0.04288 -0.02755 -0.07269 0.19394 8 3PY 0.01134 -0.02972 0.04897 -0.05953 0.02272 9 3PZ 0.03861 0.09630 0.02303 0.03569 -0.14703 10 4XX -0.00064 -0.00142 0.00777 0.01107 -0.00723 11 4YY -0.00225 -0.00267 -0.02072 0.00379 -0.00184 12 4ZZ 0.00156 0.00579 0.00930 -0.01078 0.00813 13 4XY 0.00278 0.00455 0.00177 -0.00378 0.00203 14 4XZ 0.00614 -0.00381 0.00470 -0.00194 -0.00293 15 4YZ 0.00326 0.00689 -0.00267 0.00447 -0.00138 16 2 H 1S -0.02692 -0.02561 -0.15225 0.03721 -0.02188 17 2S -0.04164 -0.03571 -0.16879 0.04308 -0.05193 18 3 C 1S -0.00476 0.00272 0.00196 -0.01120 0.00590 19 2S 0.00545 -0.01588 -0.00791 0.02347 -0.01966 20 2PX -0.04989 -0.14856 -0.00088 -0.19345 0.11968 21 2PY 0.00448 0.01667 -0.21061 0.00889 0.02877 22 2PZ -0.05528 -0.12129 0.02499 0.20517 -0.15114 23 3S 0.04961 0.07021 0.00324 0.05552 0.04888 24 3PX -0.00354 -0.02662 0.00318 -0.12751 0.12084 25 3PY 0.02035 0.04055 -0.07792 -0.00527 0.07360 26 3PZ -0.00506 -0.00322 0.02232 0.13574 -0.09142 27 4XX 0.00022 -0.00152 0.00351 -0.00665 0.01019 28 4YY -0.00207 -0.00040 -0.00856 0.00362 -0.00345 29 4ZZ 0.00243 0.00732 0.00764 0.00066 -0.00537 30 4XY 0.00501 0.01190 0.00292 -0.00789 -0.00667 31 4XZ 0.00311 0.00451 0.00649 -0.00105 0.00071 32 4YZ 0.00530 0.00993 0.00311 0.00356 0.01174 33 4 H 1S 0.05627 0.12072 0.06929 -0.02891 0.02584 34 2S 0.06641 0.15113 0.08112 -0.03231 0.05062 35 5 C 1S 0.00476 -0.00272 0.00196 -0.01120 -0.00590 36 2S -0.00545 0.01588 -0.00791 0.02347 0.01966 37 2PX 0.04989 0.14856 -0.00088 -0.19345 -0.11968 38 2PY 0.00448 0.01666 0.21061 -0.00890 0.02876 39 2PZ 0.05528 0.12129 0.02500 0.20517 0.15114 40 3S -0.04961 -0.07021 0.00324 0.05552 -0.04888 41 3PX 0.00354 0.02662 0.00318 -0.12751 -0.12084 42 3PY 0.02035 0.04055 0.07792 0.00527 0.07359 43 3PZ 0.00507 0.00322 0.02232 0.13574 0.09142 44 4XX -0.00022 0.00152 0.00351 -0.00665 -0.01019 45 4YY 0.00207 0.00040 -0.00856 0.00362 0.00345 46 4ZZ -0.00243 -0.00732 0.00764 0.00066 0.00537 47 4XY 0.00501 0.01190 -0.00292 0.00789 -0.00667 48 4XZ -0.00311 -0.00451 0.00649 -0.00105 -0.00071 49 4YZ 0.00530 0.00993 -0.00311 -0.00356 0.01174 50 6 H 1S -0.05627 -0.12072 0.06929 -0.02891 -0.02584 51 2S -0.06641 -0.15113 0.08112 -0.03231 -0.05062 52 7 C 1S 0.01043 -0.00118 -0.00072 0.01248 0.01316 53 2S -0.02696 -0.00313 0.00765 -0.02322 -0.02809 54 2PX -0.08860 -0.10026 -0.06197 -0.12502 -0.25642 55 2PY 0.05356 0.02348 -0.18182 0.07743 0.08081 56 2PZ -0.10171 -0.23178 0.05580 0.04046 0.15998 57 3S -0.02196 0.05077 -0.02049 -0.06289 -0.04142 58 3PX -0.04268 -0.04288 -0.02755 -0.07269 -0.19394 59 3PY 0.01134 -0.02971 -0.04897 0.05952 0.02271 60 3PZ -0.03861 -0.09630 0.02302 0.03570 0.14703 61 4XX 0.00064 0.00142 0.00777 0.01107 0.00723 62 4YY 0.00225 0.00267 -0.02072 0.00379 0.00184 63 4ZZ -0.00156 -0.00579 0.00930 -0.01078 -0.00813 64 4XY 0.00278 0.00455 -0.00177 0.00378 0.00203 65 4XZ -0.00614 0.00381 0.00470 -0.00194 0.00293 66 4YZ 0.00326 0.00689 0.00267 -0.00447 -0.00138 67 8 H 1S 0.02692 0.02561 -0.15224 0.03721 0.02188 68 2S 0.04164 0.03571 -0.16879 0.04308 0.05193 69 9 C 1S -0.00999 -0.00302 0.00649 0.00204 -0.00752 70 2S 0.02397 0.00984 -0.01910 -0.00731 0.00933 71 2PX 0.14177 -0.16971 0.00755 0.05504 -0.07888 72 2PY -0.01370 -0.01037 -0.27372 0.09270 0.01321 73 2PZ -0.17315 -0.18133 -0.03440 0.01722 0.03513 74 3S 0.05248 0.02786 -0.00792 -0.01556 0.09907 75 3PX 0.07492 -0.08644 0.00320 0.01734 -0.04012 76 3PY -0.01213 0.00216 -0.13289 0.06110 0.01254 77 3PZ -0.06067 -0.11415 -0.03285 -0.01013 0.01887 78 4XX -0.00130 -0.00941 0.00760 0.00246 -0.00620 79 4YY -0.00038 0.00084 -0.01218 0.00278 -0.00399 80 4ZZ -0.00066 0.00559 0.00678 -0.00717 0.00915 81 4XY -0.00981 0.01125 -0.00067 0.00033 0.00312 82 4XZ 0.00982 -0.00252 0.00308 0.00570 -0.01276 83 4YZ 0.01005 0.01132 -0.00382 0.00204 -0.00325 84 10 H 1S -0.14061 -0.00339 0.03761 -0.04876 0.08657 85 2S -0.14961 0.00227 0.04294 -0.04233 0.10180 86 11 H 1S 0.06151 -0.13918 0.06452 0.01833 -0.06722 87 2S 0.01784 -0.12495 0.06740 0.04702 -0.11833 88 12 C 1S 0.00999 0.00302 0.00649 0.00204 0.00752 89 2S -0.02397 -0.00984 -0.01910 -0.00731 -0.00933 90 2PX -0.14177 0.16971 0.00755 0.05504 0.07888 91 2PY -0.01370 -0.01038 0.27372 -0.09270 0.01321 92 2PZ 0.17315 0.18133 -0.03439 0.01722 -0.03513 93 3S -0.05248 -0.02786 -0.00792 -0.01556 -0.09907 94 3PX -0.07492 0.08644 0.00320 0.01734 0.04012 95 3PY -0.01213 0.00216 0.13289 -0.06110 0.01255 96 3PZ 0.06067 0.11415 -0.03284 -0.01013 -0.01887 97 4XX 0.00130 0.00941 0.00760 0.00246 0.00620 98 4YY 0.00038 -0.00084 -0.01218 0.00278 0.00399 99 4ZZ 0.00066 -0.00559 0.00679 -0.00717 -0.00915 100 4XY -0.00981 0.01125 0.00067 -0.00033 0.00312 101 4XZ -0.00982 0.00252 0.00308 0.00570 0.01276 102 4YZ 0.01005 0.01132 0.00382 -0.00204 -0.00325 103 13 H 1S 0.14061 0.00339 0.03761 -0.04876 -0.08657 104 2S 0.14961 -0.00227 0.04294 -0.04233 -0.10180 105 14 H 1S -0.06151 0.13918 0.06452 0.01833 0.06722 106 2S -0.01784 0.12495 0.06740 0.04702 0.11833 107 15 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 108 2S 0.00000 0.00000 0.01383 0.00372 0.00000 109 2PX 0.00000 0.00000 0.03289 0.07150 0.00000 110 2PY -0.01509 -0.00163 0.00000 0.00000 0.00731 111 2PZ 0.00000 0.00000 -0.08194 -0.11323 0.00000 112 3S 0.00000 0.00000 0.01435 0.00062 0.00000 113 3PX 0.00000 0.00000 0.00510 0.00276 0.00000 114 3PY 0.01075 -0.00629 0.00000 0.00000 0.01242 115 3PZ 0.00000 0.00000 -0.02067 -0.01324 0.00000 116 4XX 0.00000 0.00000 0.00861 0.01578 0.00000 117 4YY 0.00000 0.00000 0.00007 0.00386 0.00000 118 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00000 119 4XY -0.00912 0.00346 0.00000 0.00000 -0.00582 120 4XZ 0.00000 0.00000 0.00054 -0.00057 0.00000 121 4YZ 0.01719 -0.00728 0.00000 0.00000 0.00599 122 16 C 1S 0.00393 -0.00532 -0.00346 -0.01309 0.00047 123 2S -0.01436 0.00844 0.00540 0.03296 -0.00361 124 2PX 0.06828 -0.04151 -0.04074 -0.03638 -0.07531 125 2PY 0.02132 -0.01540 -0.07046 -0.02276 0.01352 126 2PZ -0.03286 0.00483 0.01754 -0.00900 0.10138 127 3S 0.03894 0.03292 0.01008 0.03756 -0.00177 128 3PX 0.06157 -0.01581 -0.02908 -0.01482 -0.08052 129 3PY 0.04199 -0.00391 -0.02061 -0.01829 -0.01803 130 3PZ -0.00485 0.02486 0.01762 0.00808 0.07061 131 4XX 0.01180 -0.00671 -0.00323 -0.01368 0.00967 132 4YY -0.00250 0.00149 -0.00236 0.00225 -0.00210 133 4ZZ -0.00724 0.00410 0.00537 0.00947 -0.00514 134 4XY -0.00318 0.00175 -0.00108 0.00084 0.00517 135 4XZ -0.00161 -0.00018 0.00258 0.00409 -0.00505 136 4YZ 0.00352 -0.00072 0.00251 0.00145 -0.00741 137 17 C 1S -0.00393 0.00532 -0.00346 -0.01309 -0.00047 138 2S 0.01436 -0.00844 0.00540 0.03296 0.00361 139 2PX -0.06828 0.04151 -0.04074 -0.03638 0.07531 140 2PY 0.02131 -0.01540 0.07046 0.02276 0.01353 141 2PZ 0.03286 -0.00483 0.01754 -0.00900 -0.10138 142 3S -0.03894 -0.03292 0.01008 0.03756 0.00177 143 3PX -0.06157 0.01581 -0.02908 -0.01482 0.08052 144 3PY 0.04199 -0.00391 0.02061 0.01829 -0.01802 145 3PZ 0.00485 -0.02486 0.01762 0.00808 -0.07062 146 4XX -0.01180 0.00671 -0.00323 -0.01368 -0.00967 147 4YY 0.00250 -0.00149 -0.00236 0.00225 0.00210 148 4ZZ 0.00724 -0.00410 0.00537 0.00947 0.00514 149 4XY -0.00318 0.00175 0.00108 -0.00084 0.00517 150 4XZ 0.00161 0.00018 0.00258 0.00409 0.00505 151 4YZ 0.00352 -0.00072 -0.00251 -0.00145 -0.00741 152 18 H 1S 0.00000 0.00000 0.04716 0.08539 0.00000 153 2S 0.00000 0.00000 0.05042 0.11069 0.00000 154 19 H 1S -0.01308 0.01728 0.03246 0.04364 -0.06508 155 2S -0.00241 0.01914 0.03077 0.03395 -0.06999 156 20 H 1S 0.01308 -0.01728 0.03246 0.04364 0.06508 157 2S 0.00241 -0.01914 0.03077 0.03395 0.06999 158 21 H 1S 0.00000 0.00000 -0.05915 -0.10844 0.00000 159 2S 0.00000 0.00000 -0.07280 -0.14170 0.00000 160 22 O 1S -0.00440 0.00152 0.00621 0.00387 0.00233 161 2S 0.00432 -0.00463 -0.01234 -0.00699 -0.00184 162 2PX -0.17415 0.06324 -0.06114 -0.10720 -0.07182 163 2PY 0.09842 -0.05455 -0.03246 -0.00042 0.00158 164 2PZ 0.24697 -0.11974 0.06058 0.16847 0.07459 165 3S 0.03610 0.00559 -0.02749 -0.02268 -0.02602 166 3PX -0.13312 0.04309 -0.04360 -0.07748 -0.06051 167 3PY 0.06163 -0.03945 -0.02184 0.00022 0.00652 168 3PZ 0.16747 -0.08424 0.04202 0.12560 0.06611 169 4XX 0.00451 -0.00313 0.00401 0.00662 -0.00115 170 4YY -0.00626 0.00197 0.00166 0.00057 0.00071 171 4ZZ -0.00321 0.00022 -0.00221 -0.00374 0.00435 172 4XY 0.00615 -0.00148 0.00085 0.00285 0.00244 173 4XZ -0.00110 0.00037 -0.00081 -0.00131 0.00043 174 4YZ -0.01005 0.00528 -0.00312 -0.00633 -0.00287 175 23 O 1S 0.00440 -0.00152 0.00621 0.00387 -0.00233 176 2S -0.00432 0.00463 -0.01234 -0.00699 0.00184 177 2PX 0.17415 -0.06324 -0.06114 -0.10720 0.07182 178 2PY 0.09843 -0.05455 0.03246 0.00041 0.00158 179 2PZ -0.24697 0.11973 0.06058 0.16847 -0.07459 180 3S -0.03610 -0.00559 -0.02749 -0.02268 0.02602 181 3PX 0.13312 -0.04309 -0.04360 -0.07748 0.06051 182 3PY 0.06164 -0.03945 0.02184 -0.00022 0.00652 183 3PZ -0.16747 0.08424 0.04202 0.12560 -0.06611 184 4XX -0.00451 0.00313 0.00401 0.00662 0.00115 185 4YY 0.00626 -0.00197 0.00166 0.00057 -0.00071 186 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 -0.00435 187 4XY 0.00615 -0.00148 -0.00085 -0.00285 0.00244 188 4XZ 0.00110 -0.00037 -0.00081 -0.00131 -0.00043 189 4YZ -0.01005 0.00528 0.00312 0.00633 -0.00287 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08378 0.11232 1 1 C 1S -0.00472 -0.02868 -0.00880 0.02362 -0.04188 2 2S 0.02221 0.05167 0.04382 -0.04894 0.06230 3 2PX -0.03706 0.29285 0.00771 -0.00129 0.03379 4 2PY -0.00638 0.09313 0.01678 0.07480 -0.08531 5 2PZ 0.02564 -0.18156 -0.01168 0.00262 -0.01082 6 3S -0.04326 0.21347 -0.08589 -0.26264 0.59799 7 3PX -0.01518 0.37272 0.00126 0.00398 0.12812 8 3PY -0.03919 0.10311 -0.02706 0.16936 -0.23974 9 3PZ 0.04473 -0.21538 -0.03728 0.04883 0.06929 10 4XX -0.01126 0.00018 -0.01993 -0.00062 -0.00327 11 4YY 0.00295 -0.00195 0.00423 0.00824 -0.00911 12 4ZZ 0.00571 -0.00746 0.01353 -0.00332 0.00293 13 4XY -0.00115 -0.00500 -0.00004 -0.00251 0.00055 14 4XZ 0.00523 0.00385 0.00879 -0.00656 -0.00084 15 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 16 2 H 1S 0.01303 -0.01334 0.01335 0.02888 -0.02885 17 2S 0.00689 -0.05554 0.01293 0.42889 -0.62078 18 3 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02044 19 2S 0.00985 -0.00465 -0.01376 -0.05095 0.02313 20 2PX 0.15347 -0.12043 0.20343 0.03994 -0.07620 21 2PY 0.02330 -0.03532 0.00586 0.03603 -0.05711 22 2PZ -0.11253 0.10313 -0.15777 0.02657 -0.09757 23 3S 0.02460 -0.03351 0.00389 -0.24361 0.42064 24 3PX 0.12908 -0.17273 0.30031 0.08830 -0.15505 25 3PY 0.00710 -0.02149 0.06007 0.06202 -0.11731 26 3PZ -0.08402 0.14990 -0.17049 0.09425 -0.19304 27 4XX -0.00252 0.01610 0.00010 -0.00056 0.00123 28 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00098 29 4ZZ 0.00269 -0.00941 0.00076 0.00528 -0.00295 30 4XY 0.00496 -0.00830 -0.01074 0.00493 -0.00731 31 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00121 32 4YZ -0.00559 0.01374 0.00904 0.00596 -0.00807 33 4 H 1S -0.00340 0.02130 0.01092 0.02993 -0.02733 34 2S -0.00397 0.06247 0.06752 0.37818 -0.61045 35 5 C 1S -0.00195 0.00460 -0.00662 0.02285 -0.02044 36 2S 0.00985 -0.00465 0.01376 -0.05095 0.02313 37 2PX 0.15347 -0.12043 -0.20343 0.03994 -0.07620 38 2PY -0.02329 0.03532 0.00585 -0.03603 0.05711 39 2PZ -0.11253 0.10313 0.15777 0.02657 -0.09757 40 3S 0.02460 -0.03351 -0.00389 -0.24361 0.42064 41 3PX 0.12909 -0.17273 -0.30030 0.08830 -0.15505 42 3PY -0.00710 0.02148 0.06006 -0.06202 0.11732 43 3PZ -0.08402 0.14991 0.17049 0.09425 -0.19304 44 4XX -0.00252 0.01610 -0.00010 -0.00056 0.00123 45 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00098 46 4ZZ 0.00269 -0.00941 -0.00076 0.00528 -0.00295 47 4XY -0.00496 0.00830 -0.01074 -0.00493 0.00731 48 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00121 49 4YZ 0.00559 -0.01374 0.00904 -0.00596 0.00807 50 6 H 1S -0.00340 0.02130 -0.01092 0.02993 -0.02733 51 2S -0.00397 0.06247 -0.06752 0.37818 -0.61045 52 7 C 1S -0.00472 -0.02868 0.00880 0.02362 -0.04188 53 2S 0.02221 0.05167 -0.04382 -0.04894 0.06230 54 2PX -0.03706 0.29285 -0.00771 -0.00129 0.03379 55 2PY 0.00638 -0.09313 0.01678 -0.07480 0.08531 56 2PZ 0.02564 -0.18156 0.01168 0.00262 -0.01081 57 3S -0.04326 0.21347 0.08589 -0.26265 0.59799 58 3PX -0.01518 0.37272 -0.00126 0.00398 0.12812 59 3PY 0.03919 -0.10310 -0.02706 -0.16936 0.23974 60 3PZ 0.04473 -0.21539 0.03729 0.04882 0.06930 61 4XX -0.01126 0.00018 0.01993 -0.00062 -0.00327 62 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00911 63 4ZZ 0.00571 -0.00746 -0.01353 -0.00332 0.00293 64 4XY 0.00115 0.00500 -0.00004 0.00251 -0.00055 65 4XZ 0.00523 0.00385 -0.00879 -0.00656 -0.00084 66 4YZ 0.00006 -0.00467 0.00027 -0.00384 -0.00171 67 8 H 1S 0.01303 -0.01334 -0.01335 0.02888 -0.02885 68 2S 0.00689 -0.05554 -0.01293 0.42889 -0.62078 69 9 C 1S -0.01157 0.01411 -0.01542 0.05242 0.00921 70 2S 0.02705 -0.02558 0.03231 -0.07738 -0.00303 71 2PX -0.00739 0.01030 -0.02050 -0.09419 -0.10188 72 2PY 0.00756 -0.01790 -0.02726 0.05154 0.02532 73 2PZ -0.04302 0.02628 -0.05413 -0.08096 0.00525 74 3S 0.03916 -0.12990 0.14380 -0.73829 -0.26489 75 3PX -0.01335 0.01224 -0.05388 -0.18144 -0.21140 76 3PY 0.00260 0.01352 -0.04797 0.19720 0.15839 77 3PZ -0.03373 0.01985 -0.04196 -0.16101 0.07283 78 4XX -0.00183 -0.00650 -0.00244 0.01073 0.00045 79 4YY 0.00255 -0.00565 0.00081 -0.00369 -0.00067 80 4ZZ -0.00267 0.01495 0.00075 0.00228 -0.00187 81 4XY -0.00040 -0.00587 0.00101 -0.00322 -0.00055 82 4XZ 0.00393 -0.01388 0.00244 0.00026 0.00083 83 4YZ 0.00100 -0.00202 0.00226 -0.00682 0.00837 84 10 H 1S -0.01965 0.06087 -0.01284 0.01247 -0.01631 85 2S -0.04990 0.20038 -0.09828 0.34460 -0.17658 86 11 H 1S 0.00223 -0.02835 -0.00550 0.03639 0.00739 87 2S 0.02552 -0.04313 -0.00650 0.67004 0.35021 88 12 C 1S -0.01157 0.01411 0.01542 0.05242 0.00921 89 2S 0.02705 -0.02558 -0.03231 -0.07738 -0.00303 90 2PX -0.00739 0.01030 0.02050 -0.09419 -0.10188 91 2PY -0.00756 0.01790 -0.02726 -0.05154 -0.02532 92 2PZ -0.04302 0.02628 0.05413 -0.08097 0.00525 93 3S 0.03916 -0.12991 -0.14380 -0.73829 -0.26489 94 3PX -0.01335 0.01224 0.05388 -0.18144 -0.21140 95 3PY -0.00260 -0.01352 -0.04797 -0.19720 -0.15839 96 3PZ -0.03373 0.01985 0.04196 -0.16102 0.07282 97 4XX -0.00183 -0.00650 0.00244 0.01073 0.00045 98 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 99 4ZZ -0.00267 0.01495 -0.00075 0.00228 -0.00187 100 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 101 4XZ 0.00393 -0.01388 -0.00244 0.00026 0.00083 102 4YZ -0.00100 0.00202 0.00226 0.00682 -0.00837 103 13 H 1S -0.01965 0.06087 0.01284 0.01247 -0.01631 104 2S -0.04990 0.20038 0.09827 0.34460 -0.17658 105 14 H 1S 0.00223 -0.02835 0.00550 0.03639 0.00739 106 2S 0.02552 -0.04313 0.00650 0.67004 0.35021 107 15 C 1S 0.00839 -0.00001 0.00000 0.05870 0.04879 108 2S -0.02048 -0.00328 0.00000 -0.10857 -0.07178 109 2PX 0.07239 0.00106 0.00000 -0.05292 -0.05267 110 2PY 0.00000 0.00000 0.06576 0.00000 0.00000 111 2PZ -0.02596 0.02195 0.00000 -0.19215 -0.16881 112 3S -0.04373 0.02257 0.00000 -0.80831 -0.80857 113 3PX 0.01174 0.01859 0.00000 -0.17738 -0.14500 114 3PY 0.00000 0.00000 0.11933 0.00001 0.00001 115 3PZ 0.05639 0.04091 0.00000 -0.48220 -0.43517 116 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 117 4YY 0.00231 0.00338 0.00000 0.00118 -0.00217 118 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 119 4XY 0.00000 0.00000 0.01363 0.00000 0.00000 120 4XZ 0.00047 0.00053 0.00000 -0.00823 -0.00557 121 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 122 16 C 1S 0.01561 0.01166 0.05212 0.01390 -0.00960 123 2S -0.02636 -0.03783 -0.11165 -0.04164 0.00097 124 2PX 0.22000 0.15868 0.23731 0.01567 -0.06760 125 2PY 0.08634 0.03384 0.07431 0.03085 -0.05608 126 2PZ -0.17710 -0.09908 -0.20977 0.03481 -0.11984 127 3S -0.11584 0.00283 -0.27489 -0.14093 0.29372 128 3PX 0.14336 0.20305 0.31510 0.07927 -0.14865 129 3PY 0.07612 0.00777 0.23625 0.04995 -0.12634 130 3PZ -0.13606 -0.08002 -0.11707 0.10462 -0.27847 131 4XX -0.00838 0.00551 0.00422 0.00188 0.00358 132 4YY 0.00092 -0.00097 0.00407 -0.00079 -0.00558 133 4ZZ 0.01024 0.00183 0.00641 0.00347 -0.00128 134 4XY 0.01162 0.01368 -0.01144 0.00154 -0.00287 135 4XZ 0.00281 -0.01141 0.00575 -0.00155 0.00412 136 4YZ -0.01258 -0.01066 0.00816 0.00258 -0.01277 137 17 C 1S 0.01561 0.01166 -0.05213 0.01390 -0.00960 138 2S -0.02636 -0.03783 0.11165 -0.04164 0.00097 139 2PX 0.22000 0.15868 -0.23731 0.01567 -0.06760 140 2PY -0.08633 -0.03383 0.07430 -0.03085 0.05608 141 2PZ -0.17710 -0.09908 0.20978 0.03480 -0.11984 142 3S -0.11584 0.00283 0.27489 -0.14093 0.29372 143 3PX 0.14336 0.20305 -0.31510 0.07927 -0.14865 144 3PY -0.07612 -0.00776 0.23624 -0.04995 0.12635 145 3PZ -0.13606 -0.08002 0.11708 0.10462 -0.27847 146 4XX -0.00838 0.00551 -0.00422 0.00188 0.00358 147 4YY 0.00091 -0.00097 -0.00407 -0.00079 -0.00558 148 4ZZ 0.01024 0.00183 -0.00641 0.00347 -0.00128 149 4XY -0.01162 -0.01368 -0.01144 -0.00154 0.00287 150 4XZ 0.00281 -0.01141 -0.00575 -0.00155 0.00413 151 4YZ 0.01258 0.01066 0.00816 -0.00258 0.01277 152 18 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 153 2S 0.14832 0.00357 0.00000 0.46144 0.42988 154 19 H 1S 0.00984 -0.02415 0.06324 0.00918 -0.03359 155 2S 0.04017 -0.05985 0.35373 0.28070 -0.60422 156 20 H 1S 0.00984 -0.02415 -0.06324 0.00918 -0.03359 157 2S 0.04017 -0.05985 -0.35373 0.28070 -0.60422 158 21 H 1S -0.08859 -0.01615 0.00000 0.02914 0.04104 159 2S -0.16277 -0.08594 0.00000 0.84935 0.84396 160 22 O 1S -0.00598 0.00574 0.01755 0.01154 -0.00908 161 2S 0.00548 -0.00824 -0.04327 -0.03193 0.00992 162 2PX -0.18581 -0.01613 0.12507 0.01592 -0.06026 163 2PY 0.02665 0.01482 0.01590 0.01248 -0.02723 164 2PZ 0.21710 0.08072 -0.08196 0.00359 -0.00483 165 3S 0.06524 -0.07379 -0.11189 -0.11294 0.12145 166 3PX -0.15619 -0.00520 0.10863 0.03681 -0.07010 167 3PY 0.01187 0.02618 0.00819 0.07041 -0.05140 168 3PZ 0.17793 0.09788 -0.09527 0.04666 0.02237 169 4XX -0.00410 -0.00187 0.01483 -0.00271 -0.00460 170 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 171 4ZZ -0.00104 0.00593 -0.00725 -0.00047 -0.00323 172 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00354 173 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 174 4YZ -0.00294 0.00122 0.00246 0.00326 0.00296 175 23 O 1S -0.00598 0.00574 -0.01755 0.01154 -0.00908 176 2S 0.00548 -0.00824 0.04327 -0.03193 0.00992 177 2PX -0.18582 -0.01613 -0.12507 0.01592 -0.06026 178 2PY -0.02665 -0.01482 0.01590 -0.01248 0.02723 179 2PZ 0.21710 0.08072 0.08196 0.00359 -0.00483 180 3S 0.06523 -0.07379 0.11190 -0.11294 0.12145 181 3PX -0.15619 -0.00520 -0.10863 0.03681 -0.07010 182 3PY -0.01188 -0.02619 0.00819 -0.07041 0.05140 183 3PZ 0.17793 0.09788 0.09527 0.04666 0.02238 184 4XX -0.00410 -0.00187 -0.01483 -0.00271 -0.00460 185 4YY -0.00348 0.00090 0.00163 -0.00300 -0.00383 186 4ZZ -0.00104 0.00593 0.00725 -0.00047 -0.00323 187 4XY -0.00705 0.00053 -0.00326 0.00059 0.00354 188 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 189 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12246 0.12316 0.13517 0.14424 1 1 C 1S -0.01241 0.01043 0.00405 -0.00801 -0.01006 2 2S 0.02187 -0.01822 -0.01702 0.02439 0.01471 3 2PX 0.20669 -0.13155 -0.04458 0.02642 0.03317 4 2PY 0.06486 -0.07509 -0.06377 -0.02523 0.00244 5 2PZ -0.09824 0.06751 -0.02118 -0.02584 0.01731 6 3S 0.13119 -0.09174 -0.00530 0.04218 0.14327 7 3PX 0.26575 -0.25691 -0.07838 0.11187 -0.05449 8 3PY 0.13977 -0.21345 -0.13781 -0.09395 -0.01967 9 3PZ -0.14775 0.00954 0.04880 -0.18964 -0.00187 10 4XX 0.00751 -0.00131 0.00520 -0.00037 -0.00387 11 4YY 0.00257 -0.00273 -0.00864 -0.00710 0.00507 12 4ZZ -0.01374 0.00790 0.00157 0.00657 -0.00245 13 4XY -0.00786 0.00716 0.01057 -0.00574 0.00282 14 4XZ 0.00242 -0.00426 0.00487 0.00070 0.00048 15 4YZ 0.00725 -0.00381 0.00074 0.00433 -0.00346 16 2 H 1S 0.01968 -0.01721 -0.02651 -0.02468 0.01510 17 2S 0.09658 -0.19927 -0.19804 -0.22098 -0.05306 18 3 C 1S -0.01472 0.01343 -0.03545 -0.01152 0.01725 19 2S 0.02930 -0.03708 0.05297 0.02271 -0.04594 20 2PX -0.20626 0.06448 -0.03815 -0.04251 -0.01094 21 2PY 0.01533 -0.01217 -0.04984 -0.01765 0.02897 22 2PZ 0.17835 -0.06582 -0.10322 0.00496 0.07776 23 3S 0.08409 -0.07656 0.54931 0.13733 -0.28578 24 3PX -0.36939 0.17338 -0.09595 -0.06050 0.04038 25 3PY -0.00936 0.03595 -0.19846 -0.03520 0.12839 26 3PZ 0.25885 -0.09450 -0.21209 -0.02201 0.10552 27 4XX 0.00910 -0.00564 -0.00671 -0.00170 0.00609 28 4YY -0.00704 0.00491 0.00453 0.00139 -0.00422 29 4ZZ -0.00669 0.00219 -0.00542 -0.00081 -0.00409 30 4XY 0.00974 -0.00311 -0.00605 -0.00814 0.00192 31 4XZ 0.00165 -0.00401 -0.00391 -0.00211 -0.00251 32 4YZ -0.00497 0.00068 -0.00978 0.00140 0.00319 33 4 H 1S -0.01556 -0.00639 -0.05052 -0.02522 0.00284 34 2S -0.04241 0.04719 -0.70993 -0.19455 0.35528 35 5 C 1S 0.01472 -0.01343 -0.03545 -0.01152 0.01725 36 2S -0.02930 0.03708 0.05296 0.02271 -0.04594 37 2PX 0.20626 -0.06448 -0.03815 -0.04251 -0.01094 38 2PY 0.01534 -0.01217 0.04985 0.01765 -0.02898 39 2PZ -0.17835 0.06582 -0.10323 0.00496 0.07776 40 3S -0.08410 0.07658 0.54931 0.13733 -0.28578 41 3PX 0.36939 -0.17338 -0.09594 -0.06050 0.04039 42 3PY -0.00936 0.03596 0.19847 0.03520 -0.12839 43 3PZ -0.25885 0.09450 -0.21209 -0.02201 0.10552 44 4XX -0.00910 0.00564 -0.00671 -0.00170 0.00609 45 4YY 0.00704 -0.00491 0.00453 0.00139 -0.00422 46 4ZZ 0.00669 -0.00219 -0.00542 -0.00081 -0.00409 47 4XY 0.00974 -0.00311 0.00605 0.00814 -0.00192 48 4XZ -0.00165 0.00401 -0.00391 -0.00211 -0.00251 49 4YZ -0.00497 0.00068 0.00978 -0.00140 -0.00319 50 6 H 1S 0.01556 0.00639 -0.05052 -0.02522 0.00284 51 2S 0.04242 -0.04722 -0.70993 -0.19455 0.35529 52 7 C 1S 0.01241 -0.01043 0.00405 -0.00801 -0.01006 53 2S -0.02187 0.01822 -0.01702 0.02439 0.01471 54 2PX -0.20669 0.13155 -0.04458 0.02642 0.03317 55 2PY 0.06485 -0.07508 0.06377 0.02523 -0.00244 56 2PZ 0.09824 -0.06751 -0.02118 -0.02584 0.01731 57 3S -0.13119 0.09174 -0.00531 0.04218 0.14326 58 3PX -0.26575 0.25690 -0.07839 0.11187 -0.05449 59 3PY 0.13976 -0.21345 0.13781 0.09396 0.01966 60 3PZ 0.14776 -0.00955 0.04881 -0.18963 -0.00187 61 4XX -0.00751 0.00131 0.00520 -0.00037 -0.00387 62 4YY -0.00257 0.00273 -0.00864 -0.00710 0.00507 63 4ZZ 0.01374 -0.00790 0.00157 0.00657 -0.00245 64 4XY -0.00786 0.00716 -0.01057 0.00574 -0.00282 65 4XZ -0.00242 0.00426 0.00487 0.00070 0.00048 66 4YZ 0.00725 -0.00381 -0.00074 -0.00433 0.00346 67 8 H 1S -0.01968 0.01721 -0.02651 -0.02468 0.01510 68 2S -0.09658 0.19926 -0.19805 -0.22098 -0.05304 69 9 C 1S -0.00825 -0.02081 0.01871 -0.03954 -0.00565 70 2S 0.00744 0.00494 -0.01716 0.04340 0.00173 71 2PX 0.04527 0.02643 0.11927 -0.11347 0.09430 72 2PY 0.05815 -0.05295 0.02589 -0.06765 -0.01919 73 2PZ 0.02604 0.01172 -0.14053 0.08815 0.01756 74 3S 0.13069 0.44719 -0.40099 0.70585 0.14617 75 3PX 0.14920 0.08565 0.34160 -0.30785 0.28076 76 3PY 0.15453 -0.10064 0.13720 -0.19200 -0.03920 77 3PZ 0.04693 -0.01257 -0.36405 0.20461 0.03936 78 4XX -0.00360 -0.00004 0.00593 -0.00341 -0.00483 79 4YY -0.00718 0.00134 0.00094 -0.00205 -0.00170 80 4ZZ 0.00924 -0.00875 -0.00219 -0.00287 0.00399 81 4XY -0.00508 0.00122 0.01139 -0.00253 0.00577 82 4XZ -0.00816 0.00741 -0.01280 -0.00043 0.00028 83 4YZ -0.00192 0.00064 -0.00399 0.00403 0.00053 84 10 H 1S 0.04440 -0.03859 0.06346 -0.02405 0.01624 85 2S 0.19348 -0.20929 0.88265 -0.81913 0.17493 86 11 H 1S -0.02404 0.01409 -0.03251 0.00355 -0.02959 87 2S -0.18896 -0.24196 -0.18539 -0.04943 -0.45199 88 12 C 1S 0.00825 0.02081 0.01871 -0.03954 -0.00565 89 2S -0.00744 -0.00494 -0.01716 0.04340 0.00173 90 2PX -0.04527 -0.02643 0.11927 -0.11347 0.09430 91 2PY 0.05816 -0.05295 -0.02588 0.06765 0.01919 92 2PZ -0.02604 -0.01173 -0.14053 0.08816 0.01756 93 3S -0.13068 -0.44720 -0.40098 0.70585 0.14617 94 3PX -0.14921 -0.08564 0.34160 -0.30785 0.28076 95 3PY 0.15453 -0.10064 -0.13718 0.19199 0.03920 96 3PZ -0.04693 0.01256 -0.36406 0.20462 0.03936 97 4XX 0.00360 0.00004 0.00593 -0.00341 -0.00483 98 4YY 0.00718 -0.00134 0.00094 -0.00205 -0.00170 99 4ZZ -0.00924 0.00875 -0.00219 -0.00287 0.00399 100 4XY -0.00508 0.00122 -0.01139 0.00253 -0.00577 101 4XZ 0.00816 -0.00741 -0.01280 -0.00043 0.00028 102 4YZ -0.00192 0.00064 0.00399 -0.00403 -0.00053 103 13 H 1S -0.04440 0.03860 0.06346 -0.02405 0.01624 104 2S -0.19349 0.20932 0.88265 -0.81913 0.17493 105 14 H 1S 0.02404 -0.01409 -0.03251 0.00355 -0.02959 106 2S 0.18896 0.24195 -0.18539 -0.04943 -0.45199 107 15 C 1S 0.00000 0.00000 0.00922 0.05793 0.06459 108 2S 0.00000 0.00000 -0.04200 -0.09731 -0.09102 109 2PX 0.00000 0.00000 -0.09026 -0.07814 -0.24185 110 2PY 0.22815 0.34653 -0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00001 0.03440 0.03544 0.13722 112 3S 0.00000 0.00000 -0.08865 -0.79186 -0.99103 113 3PX 0.00000 -0.00001 -0.33436 -0.13290 -0.61815 114 3PY 0.62472 0.89006 -0.00001 0.00000 -0.00001 115 3PZ 0.00001 0.00002 0.07127 0.07096 0.31583 116 4XX 0.00000 0.00000 0.00475 0.00394 0.01355 117 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 118 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 119 4XY 0.01713 0.01392 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 -0.00444 0.00494 0.00598 121 4YZ 0.01048 0.02310 0.00000 0.00000 0.00000 122 16 C 1S 0.04794 -0.00479 0.00435 0.02435 0.04021 123 2S -0.10827 0.00048 -0.02722 -0.02954 -0.08335 124 2PX 0.06053 -0.25259 0.06298 0.06636 -0.11905 125 2PY 0.09222 0.04988 0.00973 0.09772 0.05145 126 2PZ -0.10919 0.05713 0.08009 0.17974 -0.10592 127 3S -0.37773 0.13580 -0.07331 -0.54018 -0.46698 128 3PX 0.18604 -0.44210 0.14763 0.22749 -0.28787 129 3PY 0.15627 0.23152 0.04386 0.24362 0.21887 130 3PZ 0.02105 0.07077 0.19157 0.38936 -0.20634 131 4XX 0.00752 -0.00244 -0.00621 0.00002 0.00834 132 4YY -0.00149 -0.00781 -0.00050 0.00530 -0.01141 133 4ZZ 0.00679 0.00148 0.00663 0.00097 0.00473 134 4XY 0.00013 0.01185 0.00432 0.01083 -0.01372 135 4XZ 0.00120 0.00907 -0.00759 0.00081 0.01366 136 4YZ 0.00254 -0.00011 0.01331 0.01507 -0.01041 137 17 C 1S -0.04794 0.00479 0.00434 0.02435 0.04022 138 2S 0.10827 -0.00048 -0.02722 -0.02954 -0.08335 139 2PX -0.06053 0.25259 0.06297 0.06636 -0.11905 140 2PY 0.09221 0.04988 -0.00974 -0.09773 -0.05144 141 2PZ 0.10919 -0.05713 0.08009 0.17973 -0.10592 142 3S 0.37773 -0.13580 -0.07330 -0.54018 -0.46699 143 3PX -0.18605 0.44210 0.14761 0.22749 -0.28787 144 3PY 0.15627 0.23152 -0.04387 -0.24363 -0.21886 145 3PZ -0.02104 -0.07075 0.19158 0.38935 -0.20634 146 4XX -0.00752 0.00244 -0.00621 0.00002 0.00834 147 4YY 0.00149 0.00781 -0.00050 0.00530 -0.01141 148 4ZZ -0.00679 -0.00148 0.00663 0.00097 0.00473 149 4XY 0.00013 0.01185 -0.00432 -0.01083 0.01372 150 4XZ -0.00120 -0.00907 -0.00759 0.00081 0.01366 151 4YZ 0.00254 -0.00011 -0.01331 -0.01507 0.01041 152 18 H 1S 0.00000 0.00000 0.01443 0.00763 0.07892 153 2S 0.00000 0.00001 0.46073 0.59995 1.41909 154 19 H 1S 0.04685 0.03231 0.03819 0.05617 -0.00896 155 2S 0.41312 0.11800 0.35409 0.94718 0.08382 156 20 H 1S -0.04685 -0.03231 0.03819 0.05617 -0.00896 157 2S -0.41312 -0.11799 0.35409 0.94718 0.08382 158 21 H 1S 0.00000 0.00000 -0.01377 0.00902 0.02088 159 2S 0.00000 0.00000 -0.15933 0.24446 -0.09554 160 22 O 1S 0.04225 0.06536 0.01860 0.00218 -0.04984 161 2S -0.06944 -0.08841 -0.03272 -0.01870 0.07547 162 2PX -0.00186 -0.09455 0.07722 0.07939 -0.09374 163 2PY 0.07136 0.08563 0.04931 -0.00007 -0.07173 164 2PZ -0.07571 -0.04195 0.01108 0.03753 -0.10707 165 3S -0.44626 -0.81418 -0.23667 -0.00227 0.59809 166 3PX -0.05134 -0.13201 0.12565 0.14091 -0.12568 167 3PY 0.13407 0.21682 0.10621 0.02041 -0.15245 168 3PZ -0.13526 -0.06377 0.01442 0.05125 -0.19972 169 4XX 0.02419 0.02281 0.00578 -0.00588 -0.02160 170 4YY 0.00311 0.01306 -0.00001 -0.00294 -0.01109 171 4ZZ 0.01339 0.03606 0.00574 -0.00764 -0.01768 172 4XY 0.00078 -0.00037 0.00395 0.00725 0.00875 173 4XZ 0.00908 0.00782 -0.00539 -0.00310 -0.00242 174 4YZ 0.00293 0.00179 -0.00258 0.00064 -0.00283 175 23 O 1S -0.04225 -0.06536 0.01860 0.00218 -0.04984 176 2S 0.06944 0.08841 -0.03273 -0.01870 0.07547 177 2PX 0.00186 0.09455 0.07722 0.07939 -0.09374 178 2PY 0.07136 0.08563 -0.04931 0.00007 0.07173 179 2PZ 0.07571 0.04195 0.01108 0.03753 -0.10706 180 3S 0.44626 0.81417 -0.23669 -0.00227 0.59809 181 3PX 0.05134 0.13201 0.12564 0.14091 -0.12568 182 3PY 0.13406 0.21681 -0.10621 -0.02041 0.15246 183 3PZ 0.13527 0.06378 0.01441 0.05125 -0.19971 184 4XX -0.02419 -0.02281 0.00578 -0.00588 -0.02160 185 4YY -0.00311 -0.01306 -0.00001 -0.00294 -0.01109 186 4ZZ -0.01339 -0.03606 0.00575 -0.00764 -0.01768 187 4XY 0.00078 -0.00037 -0.00395 -0.00725 -0.00875 188 4XZ -0.00908 -0.00782 -0.00539 -0.00310 -0.00242 189 4YZ 0.00293 0.00179 0.00258 -0.00064 0.00283 51 52 53 54 55 V V V V V Eigenvalues -- 0.14525 0.16394 0.17144 0.17764 0.19270 1 1 C 1S 0.04503 -0.01274 -0.08277 -0.00567 0.01577 2 2S -0.06344 0.01535 0.09999 0.03023 -0.05213 3 2PX -0.07403 -0.05077 -0.02173 -0.03492 -0.00216 4 2PY 0.20027 -0.00294 -0.07369 -0.05769 -0.07589 5 2PZ 0.04238 0.03333 0.10836 -0.03265 0.03256 6 3S -0.86603 0.25149 1.44152 -0.00780 0.00384 7 3PX -0.12918 -0.09746 -0.09349 -0.07812 0.09260 8 3PY 0.60181 0.06294 -0.25381 -0.33128 -0.02697 9 3PZ 0.00891 0.04851 0.22287 -0.36981 0.04453 10 4XX 0.00488 0.00114 -0.00527 0.00106 0.00506 11 4YY 0.00187 0.00042 -0.00065 0.00267 -0.01113 12 4ZZ 0.00171 -0.00449 -0.01047 -0.00257 0.00737 13 4XY -0.00122 -0.00341 0.00076 0.00455 -0.00474 14 4XZ -0.00652 -0.00018 -0.00084 -0.00032 0.00377 15 4YZ 0.00442 -0.00439 -0.00510 0.01351 -0.00338 16 2 H 1S 0.02117 0.00172 -0.02367 0.01788 -0.04066 17 2S 1.13255 -0.02829 -0.85870 -0.32447 -0.14195 18 3 C 1S 0.02425 0.01342 0.03540 0.04225 -0.05795 19 2S -0.03790 0.03153 -0.03291 -0.06380 0.07419 20 2PX 0.06623 0.07772 0.04042 -0.02960 -0.07377 21 2PY 0.06666 0.04462 0.08609 -0.01234 -0.06308 22 2PZ 0.06127 0.00047 0.03381 0.05977 -0.06877 23 3S -0.58882 -0.40579 -0.73675 -0.58851 0.87173 24 3PX 0.25313 0.05587 0.05154 0.06332 -0.24374 25 3PY -0.06282 0.14060 0.35770 0.05289 -0.20161 26 3PZ 0.23345 0.02445 0.02642 0.27864 -0.43098 27 4XX 0.00007 -0.00263 -0.00019 -0.00112 -0.00857 28 4YY -0.00806 0.00632 -0.00049 0.01160 -0.00477 29 4ZZ 0.00483 0.00783 0.00684 0.00000 -0.00218 30 4XY -0.00076 0.00554 0.00138 0.00028 0.00198 31 4XZ -0.00005 0.00677 0.00325 -0.00108 -0.00454 32 4YZ -0.00102 -0.00218 -0.00822 -0.00325 0.00261 33 4 H 1S 0.00644 0.03754 0.01574 0.00140 -0.04622 34 2S 0.59135 0.33135 0.60681 0.47282 -1.01053 35 5 C 1S -0.02425 0.01342 0.03540 -0.04225 0.05795 36 2S 0.03790 0.03153 -0.03291 0.06380 -0.07419 37 2PX -0.06623 0.07772 0.04042 0.02960 0.07377 38 2PY 0.06666 -0.04462 -0.08609 -0.01234 -0.06309 39 2PZ -0.06127 0.00047 0.03381 -0.05977 0.06877 40 3S 0.58881 -0.40579 -0.73675 0.58851 -0.87173 41 3PX -0.25313 0.05587 0.05154 -0.06332 0.24374 42 3PY -0.06281 -0.14060 -0.35770 0.05290 -0.20163 43 3PZ -0.23345 0.02445 0.02641 -0.27864 0.43098 44 4XX -0.00007 -0.00263 -0.00019 0.00112 0.00857 45 4YY 0.00806 0.00632 -0.00049 -0.01160 0.00477 46 4ZZ -0.00483 0.00783 0.00684 0.00000 0.00218 47 4XY -0.00076 -0.00554 -0.00138 0.00028 0.00198 48 4XZ 0.00005 0.00677 0.00325 0.00108 0.00454 49 4YZ -0.00102 0.00218 0.00822 -0.00325 0.00261 50 6 H 1S -0.00644 0.03754 0.01574 -0.00140 0.04622 51 2S -0.59135 0.33135 0.60681 -0.47282 1.01053 52 7 C 1S -0.04503 -0.01274 -0.08277 0.00567 -0.01577 53 2S 0.06344 0.01535 0.09999 -0.03023 0.05213 54 2PX 0.07403 -0.05077 -0.02173 0.03492 0.00216 55 2PY 0.20027 0.00294 0.07369 -0.05769 -0.07589 56 2PZ -0.04237 0.03333 0.10837 0.03265 -0.03257 57 3S 0.86603 0.25149 1.44152 0.00780 -0.00384 58 3PX 0.12918 -0.09746 -0.09349 0.07812 -0.09260 59 3PY 0.60181 -0.06294 0.25380 -0.33129 -0.02697 60 3PZ -0.00889 0.04850 0.22288 0.36980 -0.04453 61 4XX -0.00488 0.00114 -0.00527 -0.00106 -0.00506 62 4YY -0.00187 0.00042 -0.00065 -0.00267 0.01113 63 4ZZ -0.00171 -0.00449 -0.01047 0.00257 -0.00737 64 4XY -0.00122 0.00341 -0.00076 0.00455 -0.00474 65 4XZ 0.00652 -0.00018 -0.00084 0.00032 -0.00377 66 4YZ 0.00442 0.00439 0.00510 0.01351 -0.00338 67 8 H 1S -0.02117 0.00172 -0.02367 -0.01788 0.04066 68 2S -1.13255 -0.02829 -0.85870 0.32447 0.14195 69 9 C 1S 0.00352 -0.00213 0.03762 -0.11465 0.00882 70 2S 0.02170 -0.01216 -0.03722 0.09204 0.00021 71 2PX -0.03254 -0.01432 0.09149 0.00513 -0.01488 72 2PY 0.07349 -0.00882 0.04079 0.04689 -0.09718 73 2PZ -0.05407 0.08230 0.06547 0.10605 -0.01341 74 3S -0.25080 0.12599 -0.62768 2.23056 -0.21053 75 3PX -0.11661 0.05139 0.31201 -0.07395 -0.16639 76 3PY -0.05574 -0.03149 0.28546 0.46142 -0.31939 77 3PZ -0.09319 0.16446 0.27482 0.21922 0.05665 78 4XX 0.00716 0.00076 -0.00269 -0.00209 -0.00103 79 4YY -0.00723 -0.00271 -0.00300 -0.01886 0.00931 80 4ZZ 0.00476 -0.00095 0.01230 -0.00191 -0.00650 81 4XY 0.00052 0.00303 0.01179 0.00046 0.00074 82 4XZ 0.00385 -0.00085 0.00567 0.00039 -0.00394 83 4YZ -0.00037 0.00453 0.01439 -0.00167 0.00249 84 10 H 1S -0.00951 -0.00344 -0.00525 -0.00688 -0.01237 85 2S 0.07287 -0.20797 0.31208 -0.87871 -0.19383 86 11 H 1S 0.02072 -0.01306 -0.03990 -0.00289 -0.00957 87 2S 0.26002 -0.16324 -0.16958 -0.67484 -0.00794 88 12 C 1S -0.00352 -0.00213 0.03762 0.11465 -0.00882 89 2S -0.02170 -0.01216 -0.03722 -0.09204 -0.00021 90 2PX 0.03254 -0.01432 0.09149 -0.00513 0.01488 91 2PY 0.07349 0.00882 -0.04079 0.04689 -0.09718 92 2PZ 0.05407 0.08230 0.06547 -0.10605 0.01340 93 3S 0.25080 0.12599 -0.62768 -2.23055 0.21053 94 3PX 0.11662 0.05139 0.31201 0.07395 0.16639 95 3PY -0.05574 0.03148 -0.28547 0.46143 -0.31938 96 3PZ 0.09319 0.16446 0.27481 -0.21920 -0.05666 97 4XX -0.00716 0.00076 -0.00269 0.00209 0.00103 98 4YY 0.00723 -0.00271 -0.00300 0.01886 -0.00931 99 4ZZ -0.00476 -0.00095 0.01230 0.00191 0.00650 100 4XY 0.00052 -0.00303 -0.01179 0.00046 0.00074 101 4XZ -0.00385 -0.00085 0.00567 -0.00039 0.00394 102 4YZ -0.00037 -0.00453 -0.01440 -0.00167 0.00249 103 13 H 1S 0.00951 -0.00344 -0.00525 0.00688 0.01237 104 2S -0.07287 -0.20797 0.31208 0.87871 0.19383 105 14 H 1S -0.02072 -0.01306 -0.03990 0.00289 0.00957 106 2S -0.26003 -0.16324 -0.16958 0.67484 0.00794 107 15 C 1S 0.00000 -0.01528 0.03925 0.00000 0.00000 108 2S 0.00000 0.02414 -0.06070 0.00000 0.00000 109 2PX 0.00000 -0.32141 0.16689 0.00000 0.00000 110 2PY -0.00271 0.00000 0.00000 -0.14840 -0.09949 111 2PZ 0.00000 0.03833 -0.04018 0.00000 0.00000 112 3S -0.00001 -0.02681 -0.49151 0.00000 0.00000 113 3PX 0.00000 -0.87053 0.49214 0.00000 0.00000 114 3PY -0.00467 0.00000 0.00000 -0.27942 -0.20322 115 3PZ 0.00000 0.03006 -0.04321 -0.00001 0.00000 116 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 117 4YY 0.00000 0.00357 0.01187 0.00000 0.00000 118 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 119 4XY 0.00082 0.00000 0.00000 -0.01056 -0.00499 120 4XZ 0.00000 -0.01428 0.00540 0.00000 0.00000 121 4YZ 0.00493 0.00000 0.00000 -0.00687 0.00108 122 16 C 1S 0.03254 -0.05606 -0.00411 0.01465 0.06492 123 2S -0.03711 0.09082 0.01993 -0.01499 -0.09273 124 2PX -0.05903 0.06274 0.05491 0.02288 -0.02879 125 2PY 0.01604 -0.12471 -0.02485 -0.03175 0.01152 126 2PZ 0.13292 0.01298 0.08417 0.07702 0.20250 127 3S -0.64245 0.90719 -0.10965 -0.25876 -1.08645 128 3PX 0.00642 0.24252 0.12469 0.14352 0.17591 129 3PY -0.04390 -0.44255 0.09534 0.02058 0.01108 130 3PZ 0.45762 0.03545 0.16420 0.30113 0.68653 131 4XX 0.00607 -0.00893 -0.00391 0.00026 0.00874 132 4YY 0.00410 0.00892 -0.00009 0.01066 0.01365 133 4ZZ -0.00078 -0.00113 0.00303 -0.00264 -0.00178 134 4XY 0.00230 0.00448 0.00853 -0.00277 0.00029 135 4XZ 0.00459 -0.01416 -0.00530 0.00129 0.00699 136 4YZ -0.00612 0.01154 0.00978 -0.00383 -0.01065 137 17 C 1S -0.03254 -0.05606 -0.00411 -0.01465 -0.06492 138 2S 0.03711 0.09082 0.01993 0.01499 0.09273 139 2PX 0.05903 0.06274 0.05491 -0.02288 0.02879 140 2PY 0.01605 0.12471 0.02485 -0.03175 0.01153 141 2PZ -0.13292 0.01299 0.08417 -0.07702 -0.20250 142 3S 0.64244 0.90719 -0.10965 0.25876 1.08645 143 3PX -0.00643 0.24252 0.12469 -0.14352 -0.17591 144 3PY -0.04389 0.44255 -0.09535 0.02059 0.01110 145 3PZ -0.45763 0.03547 0.16419 -0.30113 -0.68653 146 4XX -0.00607 -0.00893 -0.00391 -0.00026 -0.00874 147 4YY -0.00410 0.00892 -0.00009 -0.01066 -0.01365 148 4ZZ 0.00078 -0.00113 0.00303 0.00264 0.00178 149 4XY 0.00230 -0.00448 -0.00853 -0.00277 0.00029 150 4XZ -0.00459 -0.01416 -0.00531 -0.00129 -0.00699 151 4YZ -0.00612 -0.01154 -0.00978 -0.00383 -0.01065 152 18 H 1S 0.00000 0.01457 -0.03335 0.00000 0.00000 153 2S 0.00001 1.06608 -0.40328 0.00000 0.00000 154 19 H 1S -0.00141 -0.00535 0.04189 -0.00119 0.01945 155 2S 0.65975 -0.66009 0.32104 0.36208 1.14813 156 20 H 1S 0.00141 -0.00535 0.04189 0.00119 -0.01945 157 2S -0.65975 -0.66009 0.32104 -0.36208 -1.14813 158 21 H 1S 0.00000 -0.02508 -0.00109 0.00000 0.00000 159 2S 0.00000 -0.41251 0.49974 0.00000 0.00000 160 22 O 1S -0.00159 0.05755 -0.00666 -0.01644 -0.01098 161 2S -0.00091 -0.07982 0.00193 0.00468 0.00175 162 2PX -0.01520 0.12680 0.05153 0.04746 0.02944 163 2PY 0.03311 0.10929 -0.03793 -0.04562 0.01502 164 2PZ 0.05337 0.05958 0.08771 0.00971 0.07351 165 3S 0.05083 -0.76977 0.12921 0.29204 0.22676 166 3PX -0.04414 0.28569 0.07353 0.02559 -0.00315 167 3PY 0.00795 0.23065 -0.10401 -0.08179 -0.04547 168 3PZ 0.07021 0.10990 0.13187 0.04114 0.11090 169 4XX -0.00041 0.01876 0.00121 -0.01400 -0.00845 170 4YY -0.00369 0.01340 -0.00496 -0.00846 -0.00865 171 4ZZ 0.00378 0.02486 -0.00496 -0.00872 0.00014 172 4XY 0.00258 -0.00366 0.00285 0.00136 0.00432 173 4XZ 0.00418 -0.00495 0.00568 -0.00709 0.00278 174 4YZ -0.00054 -0.00850 0.00259 0.00567 0.00325 175 23 O 1S 0.00159 0.05755 -0.00666 0.01644 0.01098 176 2S 0.00091 -0.07982 0.00193 -0.00468 -0.00175 177 2PX 0.01520 0.12680 0.05153 -0.04746 -0.02944 178 2PY 0.03312 -0.10929 0.03793 -0.04562 0.01502 179 2PZ -0.05337 0.05957 0.08771 -0.00971 -0.07351 180 3S -0.05082 -0.76977 0.12921 -0.29204 -0.22676 181 3PX 0.04414 0.28569 0.07353 -0.02559 0.00315 182 3PY 0.00796 -0.23065 0.10400 -0.08179 -0.04547 183 3PZ -0.07022 0.10989 0.13188 -0.04114 -0.11090 184 4XX 0.00041 0.01876 0.00121 0.01400 0.00845 185 4YY 0.00369 0.01340 -0.00496 0.00846 0.00865 186 4ZZ -0.00378 0.02486 -0.00496 0.00872 -0.00014 187 4XY 0.00258 0.00366 -0.00285 0.00136 0.00432 188 4XZ -0.00418 -0.00495 0.00568 0.00709 -0.00278 189 4YZ -0.00053 0.00850 -0.00259 0.00567 0.00325 56 57 58 59 60 V V V V V Eigenvalues -- 0.19777 0.20300 0.22888 0.23611 0.24272 1 1 C 1S -0.03046 0.05349 0.01361 -0.01868 0.04418 2 2S 0.04316 -0.08635 -0.01749 0.04377 -0.05056 3 2PX 0.01100 -0.00093 0.00263 0.02470 -0.03683 4 2PY -0.05151 0.10985 0.09753 0.00660 -0.18659 5 2PZ 0.01419 -0.00154 0.07719 0.00958 -0.19017 6 3S 0.45748 -0.53124 -0.24706 0.23447 -0.78783 7 3PX 0.11776 -0.07109 0.00446 0.38213 -0.21734 8 3PY -0.24764 0.72526 0.46854 -0.09193 -0.92158 9 3PZ 0.08110 0.08547 0.25185 0.03435 -0.84013 10 4XX -0.00320 -0.00112 0.00294 -0.00542 0.00220 11 4YY -0.00205 0.00461 -0.00279 0.00545 -0.00023 12 4ZZ -0.00167 0.00894 0.00262 -0.00161 0.00442 13 4XY -0.00206 -0.00611 0.00355 -0.01081 0.00141 14 4XZ -0.00275 0.00723 0.00845 -0.01199 0.00161 15 4YZ 0.00097 -0.00099 -0.00728 0.00211 0.00509 16 2 H 1S -0.01807 0.06789 0.00171 0.02131 -0.00966 17 2S -0.47584 1.09001 0.63469 -0.17176 -0.74437 18 3 C 1S 0.00898 -0.05859 -0.01515 -0.01034 0.00707 19 2S -0.03619 0.13601 0.05891 0.00292 0.00098 20 2PX -0.01192 -0.02093 0.00005 -0.04968 0.06867 21 2PY 0.01274 -0.01849 -0.02989 0.05794 0.09804 22 2PZ 0.02813 -0.07637 0.02509 0.02012 0.09176 23 3S -0.05631 0.42281 0.21086 0.49174 -0.42262 24 3PX 0.04411 -0.39514 -0.03036 -0.03041 0.24380 25 3PY 0.08881 -0.33963 -0.20728 0.27307 0.33857 26 3PZ 0.06027 -0.60410 -0.09381 0.10214 0.42501 27 4XX 0.00059 0.00135 0.00295 0.00345 -0.00450 28 4YY -0.00388 -0.01273 0.00463 -0.00661 0.01301 29 4ZZ 0.00042 0.00281 -0.00173 0.00600 -0.00900 30 4XY -0.00419 0.00326 0.00700 0.00146 -0.00905 31 4XZ -0.00138 0.00016 0.00314 0.00588 -0.01242 32 4YZ -0.00224 0.00691 0.00326 -0.00123 0.00233 33 4 H 1S -0.00958 -0.01867 0.01229 0.02153 -0.03805 34 2S 0.17253 -1.03846 -0.22792 0.06086 0.72432 35 5 C 1S 0.00898 0.05859 -0.01515 0.01034 0.00707 36 2S -0.03619 -0.13601 0.05891 -0.00292 0.00098 37 2PX -0.01192 0.02093 0.00005 0.04968 0.06867 38 2PY -0.01274 -0.01850 0.02989 0.05794 -0.09805 39 2PZ 0.02813 0.07637 0.02509 -0.02012 0.09175 40 3S -0.05631 -0.42281 0.21086 -0.49175 -0.42262 41 3PX 0.04411 0.39514 -0.03036 0.03041 0.24380 42 3PY -0.08881 -0.33965 0.20728 0.27307 -0.33859 43 3PZ 0.06026 0.60409 -0.09380 -0.10213 0.42500 44 4XX 0.00059 -0.00135 0.00295 -0.00345 -0.00450 45 4YY -0.00388 0.01273 0.00463 0.00661 0.01301 46 4ZZ 0.00042 -0.00281 -0.00173 -0.00600 -0.00900 47 4XY 0.00419 0.00326 -0.00700 0.00146 0.00905 48 4XZ -0.00138 -0.00016 0.00314 -0.00588 -0.01241 49 4YZ 0.00224 0.00691 -0.00326 -0.00123 -0.00232 50 6 H 1S -0.00958 0.01867 0.01229 -0.02153 -0.03805 51 2S 0.17253 1.03846 -0.22792 -0.06086 0.72432 52 7 C 1S -0.03046 -0.05349 0.01361 0.01868 0.04418 53 2S 0.04316 0.08635 -0.01749 -0.04378 -0.05056 54 2PX 0.01100 0.00093 0.00263 -0.02470 -0.03683 55 2PY 0.05151 0.10985 -0.09754 0.00660 0.18660 56 2PZ 0.01419 0.00155 0.07718 -0.00958 -0.19016 57 3S 0.45748 0.53124 -0.24706 -0.23448 -0.78783 58 3PX 0.11776 0.07109 0.00446 -0.38213 -0.21734 59 3PY 0.24763 0.72526 -0.46854 -0.09193 0.92161 60 3PZ 0.08111 -0.08544 0.25183 -0.03436 -0.84010 61 4XX -0.00320 0.00112 0.00294 0.00542 0.00220 62 4YY -0.00205 -0.00461 -0.00280 -0.00545 -0.00023 63 4ZZ -0.00167 -0.00894 0.00262 0.00161 0.00442 64 4XY 0.00206 -0.00611 -0.00355 -0.01081 -0.00141 65 4XZ -0.00275 -0.00724 0.00845 0.01199 0.00161 66 4YZ -0.00097 -0.00099 0.00728 0.00211 -0.00509 67 8 H 1S -0.01807 -0.06789 0.00171 -0.02131 -0.00966 68 2S -0.47584 -1.09001 0.63469 0.17176 -0.74437 69 9 C 1S 0.01303 -0.06054 -0.03013 0.01377 -0.06151 70 2S -0.02079 0.09495 0.05545 -0.02944 0.05135 71 2PX -0.03120 -0.01282 0.10572 -0.29932 0.01857 72 2PY 0.00830 -0.00091 -0.06479 0.01533 -0.07097 73 2PZ 0.03355 0.03290 0.07420 0.13087 -0.09933 74 3S -0.24258 0.66901 0.47336 -0.12125 1.28495 75 3PX -0.06011 0.05726 0.48435 -1.18883 -0.08941 76 3PY 0.14211 -0.13811 -0.19270 0.13305 -0.33106 77 3PZ 0.06356 0.24734 0.33329 0.49766 -0.81831 78 4XX 0.00236 -0.00183 -0.01521 -0.00176 0.01028 79 4YY -0.00335 -0.01049 0.00250 0.00078 0.00190 80 4ZZ 0.00078 -0.00519 0.00889 0.00321 -0.02399 81 4XY 0.00133 -0.00160 0.01774 0.00760 0.00053 82 4XZ 0.00081 -0.00284 -0.00776 0.00144 -0.01388 83 4YZ 0.00610 -0.00323 0.00290 -0.00410 -0.01217 84 10 H 1S -0.00472 -0.01118 0.03959 -0.02671 0.06590 85 2S -0.02490 -0.52550 -0.10400 -1.20372 0.08346 86 11 H 1S -0.00007 -0.02509 -0.12090 0.03223 0.02491 87 2S 0.16818 -0.45025 -1.02971 1.22633 -0.29098 88 12 C 1S 0.01303 0.06054 -0.03013 -0.01377 -0.06151 89 2S -0.02079 -0.09495 0.05545 0.02944 0.05136 90 2PX -0.03120 0.01282 0.10572 0.29932 0.01857 91 2PY -0.00830 -0.00091 0.06479 0.01533 0.07097 92 2PZ 0.03355 -0.03290 0.07420 -0.13087 -0.09933 93 3S -0.24258 -0.66901 0.47336 0.12125 1.28495 94 3PX -0.06011 -0.05726 0.48435 1.18883 -0.08942 95 3PY -0.14211 -0.13810 0.19269 0.13307 0.33109 96 3PZ 0.06355 -0.24735 0.33330 -0.49765 -0.81830 97 4XX 0.00236 0.00183 -0.01521 0.00176 0.01028 98 4YY -0.00335 0.01049 0.00250 -0.00078 0.00190 99 4ZZ 0.00078 0.00519 0.00889 -0.00322 -0.02399 100 4XY -0.00133 -0.00160 -0.01774 0.00760 -0.00053 101 4XZ 0.00081 0.00284 -0.00776 -0.00144 -0.01388 102 4YZ -0.00610 -0.00323 -0.00290 -0.00410 0.01217 103 13 H 1S -0.00472 0.01118 0.03959 0.02671 0.06590 104 2S -0.02490 0.52550 -0.10400 1.20372 0.08345 105 14 H 1S -0.00007 0.02509 -0.12090 -0.03223 0.02491 106 2S 0.16818 0.45025 -1.02971 -1.22633 -0.29098 107 15 C 1S -0.13287 0.00000 0.00659 0.00000 0.01037 108 2S 0.21013 0.00000 0.02144 0.00000 -0.03317 109 2PX -0.15656 0.00000 -0.02944 0.00000 0.03801 110 2PY 0.00000 -0.00207 0.00001 0.12175 0.00000 111 2PZ -0.15356 0.00000 -0.33518 0.00000 -0.14489 112 3S 1.81184 0.00000 -0.42574 0.00000 -0.21399 113 3PX -0.64691 0.00000 0.08759 0.00000 0.07370 114 3PY 0.00001 0.15174 0.00002 0.09342 0.00001 115 3PZ -0.60758 0.00000 -0.96031 0.00000 -0.35294 116 4XX 0.01719 0.00000 -0.00420 0.00000 -0.00520 117 4YY -0.03106 0.00000 -0.00884 0.00000 -0.00538 118 4ZZ 0.00853 0.00000 0.02074 0.00000 0.00606 119 4XY 0.00000 -0.00318 0.00000 0.01285 0.00000 120 4XZ -0.02413 0.00000 -0.00910 0.00000 -0.00454 121 4YZ 0.00000 -0.00101 0.00000 0.00586 0.00000 122 16 C 1S 0.04178 -0.03037 -0.00031 0.00395 -0.01075 123 2S -0.08464 0.07266 -0.02232 -0.00833 0.01290 124 2PX -0.05172 0.00311 -0.02244 -0.02252 -0.00385 125 2PY 0.12664 -0.03616 0.00699 0.02660 -0.02176 126 2PZ -0.00530 -0.08505 -0.00849 -0.03452 -0.02703 127 3S -0.53917 0.21767 0.07224 0.01570 0.18148 128 3PX -0.08827 -0.10867 0.04747 0.00894 -0.02846 129 3PY 0.20051 -0.38272 -0.05288 0.08081 -0.06315 130 3PZ -0.03352 -0.37430 0.00281 -0.06914 -0.00096 131 4XX 0.00132 -0.00559 -0.00473 0.00671 -0.00382 132 4YY 0.00335 -0.00683 0.00172 -0.00170 0.00111 133 4ZZ 0.00173 0.00097 0.00022 -0.00121 0.00003 134 4XY -0.01155 -0.00104 -0.00284 0.00373 0.00425 135 4XZ -0.00065 -0.00172 -0.00252 0.00325 0.00117 136 4YZ -0.01108 0.00490 -0.00438 0.00103 -0.00162 137 17 C 1S 0.04178 0.03037 -0.00031 -0.00395 -0.01075 138 2S -0.08464 -0.07266 -0.02232 0.00833 0.01290 139 2PX -0.05172 -0.00311 -0.02244 0.02252 -0.00385 140 2PY -0.12664 -0.03616 -0.00699 0.02660 0.02176 141 2PZ -0.00530 0.08505 -0.00849 0.03452 -0.02703 142 3S -0.53917 -0.21767 0.07224 -0.01570 0.18148 143 3PX -0.08827 0.10867 0.04747 -0.00894 -0.02846 144 3PY -0.20050 -0.38274 0.05288 0.08080 0.06315 145 3PZ -0.03353 0.37428 0.00281 0.06914 -0.00095 146 4XX 0.00132 0.00559 -0.00473 -0.00671 -0.00382 147 4YY 0.00335 0.00683 0.00172 0.00170 0.00111 148 4ZZ 0.00173 -0.00097 0.00022 0.00121 0.00003 149 4XY 0.01155 -0.00104 0.00284 0.00373 -0.00425 150 4XZ -0.00065 0.00172 -0.00252 -0.00325 0.00117 151 4YZ 0.01108 0.00490 0.00438 0.00103 0.00162 152 18 H 1S 0.05445 0.00000 -0.02906 0.00000 -0.01541 153 2S -0.30248 0.00000 -0.22065 0.00000 -0.13184 154 19 H 1S -0.03843 -0.01577 -0.00971 0.00110 0.00208 155 2S 0.39787 -0.72270 -0.02309 -0.03229 -0.19433 156 20 H 1S -0.03843 0.01577 -0.00971 -0.00110 0.00208 157 2S 0.39787 0.72270 -0.02309 0.03229 -0.19433 158 21 H 1S 0.02872 0.00000 0.11739 0.00000 0.04447 159 2S -0.41064 0.00000 1.47336 0.00000 0.62684 160 22 O 1S 0.03754 0.00430 0.01617 0.00885 0.00527 161 2S -0.03956 0.00495 -0.01840 -0.01049 -0.01019 162 2PX -0.15564 -0.01289 -0.08246 -0.02231 -0.00965 163 2PY 0.22888 -0.01101 0.09686 0.05040 0.03001 164 2PZ -0.14120 -0.05271 0.06622 0.01945 0.02167 165 3S -0.57423 -0.12538 -0.25921 -0.10884 -0.07851 166 3PX -0.29284 -0.01056 -0.10254 -0.00063 -0.01005 167 3PY 0.49008 0.05531 0.16625 0.03401 0.03137 168 3PZ -0.27041 -0.08392 0.09309 -0.00126 0.04714 169 4XX 0.01433 0.00336 0.00695 0.01039 0.00302 170 4YY 0.01413 0.00250 0.01073 0.00270 0.00063 171 4ZZ 0.01612 0.00484 -0.00058 0.00183 -0.00040 172 4XY -0.00568 -0.00008 -0.00763 -0.00085 -0.00252 173 4XZ -0.01376 -0.00552 -0.00621 0.00775 -0.00281 174 4YZ -0.00570 0.00204 -0.00121 -0.00675 0.00218 175 23 O 1S 0.03754 -0.00430 0.01617 -0.00885 0.00527 176 2S -0.03956 -0.00495 -0.01840 0.01049 -0.01019 177 2PX -0.15564 0.01289 -0.08246 0.02231 -0.00965 178 2PY -0.22887 -0.01101 -0.09686 0.05040 -0.03001 179 2PZ -0.14121 0.05271 0.06621 -0.01945 0.02167 180 3S -0.57423 0.12538 -0.25921 0.10884 -0.07851 181 3PX -0.29284 0.01056 -0.10254 0.00063 -0.01005 182 3PY -0.49007 0.05531 -0.16626 0.03401 -0.03137 183 3PZ -0.27043 0.08392 0.09308 0.00126 0.04714 184 4XX 0.01433 -0.00336 0.00695 -0.01039 0.00302 185 4YY 0.01413 -0.00250 0.01073 -0.00269 0.00063 186 4ZZ 0.01612 -0.00484 -0.00058 -0.00183 -0.00040 187 4XY 0.00568 -0.00008 0.00763 -0.00085 0.00252 188 4XZ -0.01376 0.00552 -0.00621 -0.00775 -0.00281 189 4YZ 0.00570 0.00204 0.00121 -0.00675 -0.00218 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31363 0.32662 0.37013 1 1 C 1S -0.00502 0.05458 0.04993 0.01183 -0.00112 2 2S -0.01910 -0.06382 -0.05071 -0.01457 -0.03162 3 2PX -0.03121 0.03930 0.16617 0.08599 -0.01370 4 2PY -0.04681 -0.04805 -0.13033 0.02966 -0.00220 5 2PZ 0.03007 -0.15529 0.17504 -0.02967 0.00024 6 3S 0.41606 -1.37438 -1.44222 -0.20221 0.12326 7 3PX -0.26619 0.06225 1.06987 -0.07215 0.13163 8 3PY -0.13592 -0.13861 -0.85991 0.07399 0.14649 9 3PZ -0.13967 -0.67791 1.01349 -0.10932 0.14441 10 4XX -0.00287 0.00928 0.01015 -0.00493 0.00617 11 4YY 0.00719 -0.02212 -0.00263 0.00404 -0.00162 12 4ZZ -0.00575 0.01851 -0.00222 0.00470 -0.00847 13 4XY 0.01179 0.01093 -0.01300 0.00593 0.00777 14 4XZ -0.00619 0.01088 0.00236 -0.00062 0.00587 15 4YZ 0.01996 0.01501 -0.01318 -0.00466 -0.00688 16 2 H 1S 0.04858 -0.09263 -0.02683 0.01844 0.00913 17 2S -0.14694 0.07471 -0.43579 0.18359 0.11046 18 3 C 1S 0.00769 0.04918 -0.06115 -0.00227 -0.00128 19 2S -0.01974 -0.05121 0.03526 -0.00790 0.02212 20 2PX -0.06482 -0.02938 0.10791 -0.06932 0.02059 21 2PY -0.01801 -0.19977 -0.04488 0.03378 -0.03084 22 2PZ -0.15615 0.04041 0.10440 0.05971 0.00494 23 3S -0.13973 -1.39769 1.97743 -0.08222 -0.13809 24 3PX -0.35997 0.00150 0.90328 -0.13319 0.04294 25 3PY -0.17707 -1.37836 -0.73211 -0.09863 -0.22936 26 3PZ -0.57674 0.29823 0.79019 -0.00009 -0.03203 27 4XX -0.00610 -0.00237 -0.01765 0.01091 -0.00253 28 4YY 0.00104 0.02470 0.00742 -0.01043 0.00338 29 4ZZ 0.00483 -0.01758 -0.00116 -0.00623 0.00019 30 4XY 0.00241 -0.00353 0.02269 0.00382 0.00019 31 4XZ -0.00234 -0.01440 -0.01145 -0.00795 0.00113 32 4YZ 0.00641 0.00071 0.02428 -0.00019 -0.00158 33 4 H 1S -0.00070 -0.06447 0.08431 -0.04222 0.00085 34 2S -0.70174 -0.13193 0.19510 -0.06215 -0.05947 35 5 C 1S -0.00769 -0.04918 -0.06115 0.00227 0.00128 36 2S 0.01974 0.05121 0.03526 0.00790 -0.02212 37 2PX 0.06482 0.02938 0.10791 0.06932 -0.02059 38 2PY -0.01802 -0.19977 0.04488 0.03378 -0.03084 39 2PZ 0.15614 -0.04041 0.10440 -0.05971 -0.00494 40 3S 0.13973 1.39769 1.97743 0.08222 0.13809 41 3PX 0.35997 -0.00150 0.90328 0.13319 -0.04294 42 3PY -0.17710 -1.37834 0.73208 -0.09863 -0.22936 43 3PZ 0.57673 -0.29828 0.79022 0.00009 0.03202 44 4XX 0.00610 0.00237 -0.01765 -0.01091 0.00253 45 4YY -0.00104 -0.02470 0.00742 0.01043 -0.00338 46 4ZZ -0.00482 0.01758 -0.00116 0.00623 -0.00019 47 4XY 0.00241 -0.00353 -0.02269 0.00382 0.00019 48 4XZ 0.00234 0.01440 -0.01145 0.00795 -0.00113 49 4YZ 0.00641 0.00071 -0.02428 -0.00019 -0.00158 50 6 H 1S 0.00070 0.06447 0.08431 0.04222 -0.00085 51 2S 0.70174 0.13193 0.19510 0.06215 0.05947 52 7 C 1S 0.00502 -0.05458 0.04993 -0.01183 0.00112 53 2S 0.01910 0.06382 -0.05071 0.01457 0.03162 54 2PX 0.03121 -0.03930 0.16617 -0.08599 0.01370 55 2PY -0.04681 -0.04806 0.13032 0.02966 -0.00220 56 2PZ -0.03007 0.15529 0.17504 0.02967 -0.00024 57 3S -0.41606 1.37438 -1.44223 0.20221 -0.12326 58 3PX 0.26619 -0.06225 1.06988 0.07215 -0.13162 59 3PY -0.13592 -0.13864 0.85987 0.07398 0.14650 60 3PZ 0.13966 0.67791 1.01353 0.10932 -0.14441 61 4XX 0.00287 -0.00928 0.01015 0.00493 -0.00617 62 4YY -0.00719 0.02212 -0.00263 -0.00404 0.00162 63 4ZZ 0.00575 -0.01851 -0.00222 -0.00470 0.00847 64 4XY 0.01179 0.01093 0.01300 0.00593 0.00777 65 4XZ 0.00619 -0.01088 0.00236 0.00062 -0.00587 66 4YZ 0.01996 0.01501 0.01318 -0.00466 -0.00688 67 8 H 1S -0.04858 0.09263 -0.02683 -0.01844 -0.00913 68 2S 0.14694 -0.07472 -0.43579 -0.18359 -0.11046 69 9 C 1S -0.04247 -0.02516 0.01175 -0.00099 0.00753 70 2S 0.04861 0.02439 -0.00762 0.00883 0.00490 71 2PX -0.03238 -0.14627 0.02917 0.00402 -0.00999 72 2PY 0.32591 -0.14212 0.07102 -0.06989 -0.01891 73 2PZ -0.12549 -0.20180 0.02883 -0.00685 0.05846 74 3S 0.69553 0.42732 -0.49268 0.01370 -0.20470 75 3PX -0.14533 -0.58980 -0.15245 0.00259 -0.00974 76 3PY 1.37292 -0.47700 0.29474 -0.28804 -0.14401 77 3PZ -0.45314 -0.90095 0.04835 -0.03164 0.24742 78 4XX 0.01494 -0.00164 -0.00573 -0.00479 0.00054 79 4YY -0.02628 0.00810 0.01240 0.00498 0.00126 80 4ZZ 0.00596 -0.01032 -0.00591 0.00218 0.00275 81 4XY 0.00264 0.00240 -0.00662 0.00051 0.00136 82 4XZ 0.00093 -0.01344 -0.00627 -0.00208 -0.01220 83 4YZ 0.00508 0.00512 0.02348 -0.00169 -0.00198 84 10 H 1S 0.03645 0.01799 -0.04194 -0.00550 0.02145 85 2S 0.53284 -0.09843 0.07689 -0.09632 -0.19821 86 11 H 1S 0.05918 -0.00898 -0.03395 -0.01518 -0.03026 87 2S 0.65899 0.47089 0.15168 -0.11689 -0.11295 88 12 C 1S 0.04247 0.02516 0.01175 0.00099 -0.00753 89 2S -0.04861 -0.02439 -0.00762 -0.00883 -0.00490 90 2PX 0.03238 0.14627 0.02917 -0.00402 0.00999 91 2PY 0.32591 -0.14213 -0.07102 -0.06989 -0.01891 92 2PZ 0.12550 0.20179 0.02883 0.00685 -0.05847 93 3S -0.69553 -0.42732 -0.49268 -0.01370 0.20470 94 3PX 0.14533 0.58979 -0.15245 -0.00259 0.00974 95 3PY 1.37290 -0.47704 -0.29474 -0.28804 -0.14400 96 3PZ 0.45319 0.90093 0.04833 0.03163 -0.24742 97 4XX -0.01494 0.00164 -0.00573 0.00479 -0.00054 98 4YY 0.02628 -0.00810 0.01240 -0.00498 -0.00126 99 4ZZ -0.00596 0.01032 -0.00591 -0.00218 -0.00275 100 4XY 0.00264 0.00240 0.00662 0.00051 0.00136 101 4XZ -0.00093 0.01344 -0.00627 0.00208 0.01220 102 4YZ 0.00509 0.00512 -0.02348 -0.00169 -0.00198 103 13 H 1S -0.03645 -0.01799 -0.04194 0.00550 -0.02145 104 2S -0.53284 0.09843 0.07689 0.09632 0.19821 105 14 H 1S -0.05918 0.00898 -0.03395 0.01518 0.03026 106 2S -0.65899 -0.47089 0.15168 0.11689 0.11295 107 15 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 108 2S 0.00000 0.00000 -0.02252 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00888 0.00000 0.00000 110 2PY 0.09125 0.07179 0.00000 -0.03526 0.31611 111 2PZ 0.00000 0.00000 0.02874 0.00000 0.00001 112 3S 0.00000 0.00000 -0.05185 0.00000 0.00000 113 3PX 0.00000 0.00000 0.03585 0.00000 0.00000 114 3PY -0.07852 0.09355 0.00000 -0.95929 -0.10081 115 3PZ 0.00000 0.00000 0.05967 -0.00002 0.00000 116 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 119 4XY 0.00726 0.00631 0.00000 -0.00644 0.01097 120 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 121 4YZ 0.00156 0.00332 0.00000 -0.00987 0.01510 122 16 C 1S -0.00707 -0.00782 -0.00108 -0.02272 -0.11316 123 2S -0.00513 0.00678 -0.00359 -0.00747 0.12507 124 2PX -0.02774 0.03855 -0.00297 -0.12827 0.15943 125 2PY 0.04318 -0.00895 0.00520 0.24083 0.14950 126 2PZ 0.00627 -0.05664 0.01930 -0.08469 0.22707 127 3S 0.28474 0.09040 -0.02080 1.25384 2.60207 128 3PX -0.05063 0.02081 -0.03795 -0.70811 1.07755 129 3PY 0.29441 -0.17659 0.02074 1.79274 1.77016 130 3PZ 0.02143 -0.08866 -0.02233 -0.29493 0.98288 131 4XX 0.00157 0.00080 -0.00318 0.00393 0.00537 132 4YY -0.00600 -0.00273 0.00030 -0.02512 -0.02342 133 4ZZ 0.00244 -0.00104 0.00005 0.00402 0.01367 134 4XY 0.00176 0.00144 0.00388 0.00482 0.00227 135 4XZ 0.00086 -0.00204 0.00058 0.01351 -0.01115 136 4YZ 0.00090 0.00266 -0.00372 -0.00093 -0.00423 137 17 C 1S 0.00707 0.00782 -0.00108 0.02272 0.11316 138 2S 0.00513 -0.00678 -0.00359 0.00747 -0.12507 139 2PX 0.02774 -0.03855 -0.00297 0.12827 -0.15943 140 2PY 0.04318 -0.00895 -0.00520 0.24083 0.14951 141 2PZ -0.00627 0.05664 0.01930 0.08470 -0.22707 142 3S -0.28474 -0.09040 -0.02080 -1.25384 -2.60207 143 3PX 0.05063 -0.02081 -0.03795 0.70811 -1.07755 144 3PY 0.29442 -0.17659 -0.02074 1.79273 1.77020 145 3PZ -0.02142 0.08865 -0.02233 0.29499 -0.98282 146 4XX -0.00157 -0.00080 -0.00318 -0.00393 -0.00537 147 4YY 0.00600 0.00273 0.00030 0.02512 0.02342 148 4ZZ -0.00244 0.00104 0.00005 -0.00402 -0.01367 149 4XY 0.00176 0.00144 -0.00388 0.00482 0.00227 150 4XZ -0.00086 0.00204 0.00058 -0.01351 0.01115 151 4YZ 0.00090 0.00266 0.00372 -0.00093 -0.00423 152 18 H 1S 0.00000 0.00000 -0.01419 0.00000 0.00000 153 2S 0.00000 0.00000 0.04273 0.00000 0.00000 154 19 H 1S 0.00774 -0.01323 -0.01278 0.02444 -0.06638 155 2S 0.09422 -0.28186 0.02670 0.34192 0.96147 156 20 H 1S -0.00774 0.01323 -0.01278 -0.02444 0.06638 157 2S -0.09422 0.28186 0.02669 -0.34192 -0.96147 158 21 H 1S 0.00000 0.00000 0.00723 0.00000 0.00000 159 2S 0.00000 0.00000 -0.06127 0.00000 0.00000 160 22 O 1S 0.00214 -0.00067 -0.00131 0.01840 -0.04211 161 2S -0.00236 0.01328 -0.02280 -0.05335 0.03818 162 2PX -0.01728 -0.03930 0.03685 0.18590 -0.17936 163 2PY 0.00799 0.02597 -0.03326 -0.08117 -0.01775 164 2PZ 0.03256 -0.00828 -0.01284 0.15781 -0.16682 165 3S -0.00740 -0.01948 0.09574 -0.17069 0.92177 166 3PX 0.01097 -0.04493 0.00254 0.44733 -0.39734 167 3PY -0.01788 0.03111 -0.03094 -0.21311 -0.29189 168 3PZ 0.04118 -0.04893 -0.00676 0.41045 -0.27634 169 4XX 0.00244 0.00765 -0.00359 -0.00468 -0.02430 170 4YY 0.00397 0.00386 -0.00885 0.00902 0.00078 171 4ZZ -0.00187 -0.00047 -0.01008 -0.00491 -0.01833 172 4XY -0.00587 0.00003 -0.00149 -0.02044 -0.02167 173 4XZ 0.00771 0.00505 -0.00142 -0.00122 0.01204 174 4YZ -0.00537 -0.00457 0.00267 -0.01789 -0.01720 175 23 O 1S -0.00214 0.00067 -0.00131 -0.01840 0.04211 176 2S 0.00236 -0.01328 -0.02280 0.05335 -0.03818 177 2PX 0.01728 0.03930 0.03685 -0.18590 0.17936 178 2PY 0.00799 0.02597 0.03326 -0.08117 -0.01776 179 2PZ -0.03256 0.00828 -0.01284 -0.15781 0.16682 180 3S 0.00740 0.01948 0.09574 0.17069 -0.92177 181 3PX -0.01097 0.04493 0.00254 -0.44733 0.39734 182 3PY -0.01787 0.03111 0.03094 -0.21310 -0.29190 183 3PZ -0.04118 0.04893 -0.00676 -0.41046 0.27633 184 4XX -0.00244 -0.00765 -0.00359 0.00468 0.02430 185 4YY -0.00397 -0.00386 -0.00885 -0.00902 -0.00077 186 4ZZ 0.00187 0.00047 -0.01008 0.00491 0.01832 187 4XY -0.00587 0.00003 0.00149 -0.02044 -0.02167 188 4XZ -0.00771 -0.00505 -0.00142 0.00122 -0.01204 189 4YZ -0.00537 -0.00457 -0.00267 -0.01789 -0.01720 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50830 1 1 C 1S 0.08006 0.00722 -0.04116 -0.00014 -0.00066 2 2S -0.05679 -0.09493 -0.01175 0.02361 -0.13254 3 2PX -0.11023 -0.04990 -0.05357 -0.24898 0.09737 4 2PY -0.12926 -0.06155 0.05972 -0.00807 -0.00596 5 2PZ -0.14488 -0.02280 -0.19038 -0.19371 0.07367 6 3S -2.35127 0.00824 2.13750 0.14983 -0.00473 7 3PX 0.28429 0.03966 -1.64568 0.47752 -0.05963 8 3PY -1.87569 0.04098 0.91920 -0.00710 -0.10323 9 3PZ -0.57166 0.19467 -1.79572 0.34750 -0.17709 10 4XX 0.00039 -0.00235 -0.02196 0.01143 -0.00869 11 4YY 0.00201 0.01230 0.00825 -0.00914 -0.00644 12 4ZZ -0.00843 -0.02264 0.01412 -0.01043 -0.00570 13 4XY -0.01699 0.01243 0.00694 -0.02815 0.01018 14 4XZ -0.01030 -0.00885 -0.01369 0.01366 -0.02765 15 4YZ -0.00523 -0.01337 0.01282 -0.02802 0.00001 16 2 H 1S 0.08373 0.07551 0.03348 -0.01005 -0.02086 17 2S -0.74069 0.00038 0.21711 -0.02504 -0.07773 18 3 C 1S -0.09297 -0.00201 0.03357 -0.00378 -0.00424 19 2S 0.03027 -0.05807 -0.01630 0.06496 -0.33227 20 2PX 0.04080 -0.09831 -0.16368 0.12707 -0.08379 21 2PY 0.15075 -0.04980 0.22077 -0.24790 -0.03594 22 2PZ 0.11608 0.12614 -0.11092 0.13662 -0.06440 23 3S 3.56246 0.19088 -1.45066 -0.00097 0.36895 24 3PX 1.02295 0.08342 -1.81194 -0.14165 0.06500 25 3PY 2.25615 -0.03305 1.70946 0.36906 0.01925 26 3PZ 1.26271 -0.11800 -1.45112 -0.15619 0.07953 27 4XX 0.00255 0.00697 0.01396 0.01030 -0.00993 28 4YY -0.00686 -0.00883 -0.02035 -0.02338 -0.04662 29 4ZZ 0.00742 -0.00205 -0.00210 0.01747 -0.01514 30 4XY -0.00892 0.00697 0.00316 -0.01909 0.00376 31 4XZ 0.00498 -0.00169 0.00251 0.01944 -0.03192 32 4YZ -0.00824 0.00592 0.00461 -0.01976 0.00081 33 4 H 1S -0.04078 0.00360 0.03607 -0.01154 -0.07765 34 2S 1.03640 -0.07838 -0.42445 0.04205 -0.04264 35 5 C 1S 0.09297 -0.00201 -0.03357 -0.00378 -0.00424 36 2S -0.03027 -0.05807 0.01630 0.06496 -0.33227 37 2PX -0.04080 -0.09831 0.16368 0.12707 -0.08379 38 2PY 0.15076 0.04980 0.22076 0.24790 0.03594 39 2PZ -0.11607 0.12614 0.11093 0.13663 -0.06440 40 3S -3.56246 0.19089 1.45066 -0.00098 0.36895 41 3PX -1.02295 0.08344 1.81194 -0.14165 0.06500 42 3PY 2.25620 0.03307 1.70940 -0.36906 -0.01925 43 3PZ -1.26262 -0.11799 1.45118 -0.15620 0.07953 44 4XX -0.00255 0.00697 -0.01396 0.01030 -0.00993 45 4YY 0.00686 -0.00882 0.02035 -0.02338 -0.04662 46 4ZZ -0.00742 -0.00205 0.00210 0.01747 -0.01514 47 4XY -0.00892 -0.00697 0.00316 0.01909 -0.00376 48 4XZ -0.00498 -0.00169 -0.00251 0.01944 -0.03192 49 4YZ -0.00824 -0.00592 0.00461 0.01975 -0.00081 50 6 H 1S 0.04078 0.00360 -0.03607 -0.01154 -0.07765 51 2S -1.03639 -0.07838 0.42445 0.04205 -0.04264 52 7 C 1S -0.08006 0.00722 0.04116 -0.00014 -0.00066 53 2S 0.05679 -0.09493 0.01175 0.02361 -0.13254 54 2PX 0.11023 -0.04990 0.05357 -0.24898 0.09737 55 2PY -0.12926 0.06155 0.05971 0.00808 0.00595 56 2PZ 0.14488 -0.02280 0.19038 -0.19371 0.07367 57 3S 2.35127 0.00822 -2.13750 0.14983 -0.00473 58 3PX -0.28429 0.03968 1.64568 0.47751 -0.05962 59 3PY -1.87571 -0.04098 0.91913 0.00709 0.10324 60 3PZ 0.57159 0.19468 1.79575 0.34749 -0.17709 61 4XX -0.00039 -0.00235 0.02196 0.01143 -0.00869 62 4YY -0.00201 0.01230 -0.00825 -0.00915 -0.00644 63 4ZZ 0.00843 -0.02264 -0.01412 -0.01042 -0.00570 64 4XY -0.01699 -0.01243 0.00694 0.02815 -0.01018 65 4XZ 0.01030 -0.00885 0.01369 0.01366 -0.02765 66 4YZ -0.00523 0.01337 0.01282 0.02802 -0.00001 67 8 H 1S -0.08373 0.07551 -0.03348 -0.01005 -0.02086 68 2S 0.74068 0.00038 -0.21711 -0.02504 -0.07774 69 9 C 1S -0.05781 -0.00519 0.00860 0.00041 0.00109 70 2S -0.02158 -0.06907 -0.00009 0.06024 0.00094 71 2PX 0.01439 -0.16205 -0.01035 0.07792 0.21391 72 2PY -0.02797 -0.05305 -0.18916 0.29529 0.02150 73 2PZ -0.08587 0.16455 -0.15363 0.04035 -0.00802 74 3S 1.82654 0.05271 -0.03545 -0.21165 0.08723 75 3PX -0.50898 0.23945 0.06436 -0.13889 -0.28036 76 3PY 0.40609 0.05056 -1.14336 -0.30661 -0.05959 77 3PZ -1.62430 -0.14298 -0.40060 -0.03672 -0.01694 78 4XX 0.01907 -0.00219 0.00425 -0.01283 0.00774 79 4YY 0.00215 -0.01654 0.00721 0.06121 0.00628 80 4ZZ -0.02746 -0.00827 -0.01039 -0.03538 -0.00314 81 4XY -0.00208 0.02135 0.00247 -0.01223 -0.02780 82 4XZ -0.01029 -0.02765 0.02007 -0.00821 0.04329 83 4YZ 0.00175 -0.01509 -0.00794 -0.01222 0.00195 84 10 H 1S 0.05923 0.13984 -0.06617 -0.02977 -0.17007 85 2S 0.28289 -0.06699 0.03726 0.04889 0.06074 86 11 H 1S 0.05309 -0.08391 0.07743 -0.02363 0.14629 87 2S 0.17286 -0.08893 -0.11364 0.07984 0.02159 88 12 C 1S 0.05781 -0.00519 -0.00860 0.00041 0.00109 89 2S 0.02158 -0.06907 0.00009 0.06024 0.00094 90 2PX -0.01439 -0.16205 0.01035 0.07792 0.21391 91 2PY -0.02797 0.05304 -0.18917 -0.29529 -0.02150 92 2PZ 0.08587 0.16455 0.15362 0.04034 -0.00802 93 3S -1.82654 0.05271 0.03545 -0.21165 0.08723 94 3PX 0.50898 0.23945 -0.06437 -0.13889 -0.28036 95 3PY 0.40603 -0.05057 -1.14337 0.30661 0.05959 96 3PZ 1.62432 -0.14298 0.40056 -0.03671 -0.01694 97 4XX -0.01907 -0.00219 -0.00425 -0.01283 0.00774 98 4YY -0.00215 -0.01655 -0.00721 0.06121 0.00628 99 4ZZ 0.02746 -0.00827 0.01039 -0.03537 -0.00314 100 4XY -0.00208 -0.02135 0.00247 0.01223 0.02780 101 4XZ 0.01029 -0.02765 -0.02007 -0.00821 0.04329 102 4YZ 0.00175 0.01509 -0.00795 0.01222 -0.00195 103 13 H 1S -0.05923 0.13985 0.06617 -0.02977 -0.17007 104 2S -0.28289 -0.06699 -0.03726 0.04889 0.06074 105 14 H 1S -0.05309 -0.08392 -0.07743 -0.02363 0.14629 106 2S -0.17286 -0.08893 0.11364 0.07984 0.02159 107 15 C 1S 0.00000 0.01004 0.00000 0.00756 -0.01609 108 2S 0.00000 -0.36575 0.00000 -0.00673 0.09793 109 2PX 0.00000 0.37671 0.00000 -0.13864 -0.29035 110 2PY 0.10843 -0.00001 0.00495 0.00000 0.00000 111 2PZ 0.00000 0.31870 0.00000 0.05627 0.03597 112 3S 0.00000 0.91964 0.00000 -0.07167 -0.12244 113 3PX 0.00000 -0.79804 0.00000 0.39768 0.43635 114 3PY -0.12639 0.00001 0.10561 0.00000 0.00001 115 3PZ 0.00000 -0.71019 0.00001 -0.12293 -0.34443 116 4XX 0.00000 -0.01088 0.00000 -0.02611 -0.03732 117 4YY 0.00000 0.03632 0.00000 0.00514 0.00493 118 4ZZ 0.00000 -0.01435 0.00000 0.02865 0.01858 119 4XY 0.00484 0.00000 -0.00375 0.00000 0.00000 120 4XZ 0.00000 -0.01529 0.00000 0.01364 -0.00822 121 4YZ 0.00822 0.00000 -0.00877 0.00000 0.00000 122 16 C 1S -0.00851 -0.00398 -0.00859 0.00102 -0.02782 123 2S 0.00020 -0.21680 0.06365 -0.08097 -0.01551 124 2PX 0.01228 0.05395 0.10261 -0.19445 0.16422 125 2PY 0.01548 -0.31632 -0.06959 0.02027 -0.20526 126 2PZ -0.02133 0.10351 0.11323 0.10946 0.29645 127 3S 0.24230 0.06161 -0.06708 0.02898 0.07285 128 3PX -0.06028 -0.04799 0.10796 0.22595 -0.16291 129 3PY 0.09739 0.42494 -0.15072 0.02392 0.19059 130 3PZ 0.03028 -0.22594 0.09966 -0.13176 -0.32422 131 4XX 0.00106 0.00757 0.00261 -0.00457 0.00939 132 4YY -0.00314 -0.07466 0.00906 -0.00698 -0.01799 133 4ZZ 0.00220 0.02591 -0.00882 -0.00177 -0.03214 134 4XY 0.00293 -0.00272 -0.00245 -0.01435 0.02750 135 4XZ 0.00122 -0.02770 -0.00470 -0.00534 -0.02621 136 4YZ 0.00143 -0.00264 0.00129 -0.02036 -0.00775 137 17 C 1S 0.00851 -0.00398 0.00859 0.00102 -0.02782 138 2S -0.00020 -0.21680 -0.06365 -0.08097 -0.01551 139 2PX -0.01228 0.05395 -0.10261 -0.19445 0.16422 140 2PY 0.01548 0.31631 -0.06959 -0.02028 0.20524 141 2PZ 0.02134 0.10352 -0.11324 0.10946 0.29645 142 3S -0.24230 0.06161 0.06708 0.02898 0.07285 143 3PX 0.06028 -0.04799 -0.10796 0.22596 -0.16291 144 3PY 0.09739 -0.42494 -0.15071 -0.02391 -0.19058 145 3PZ -0.03027 -0.22596 -0.09967 -0.13177 -0.32423 146 4XX -0.00106 0.00757 -0.00261 -0.00457 0.00939 147 4YY 0.00313 -0.07466 -0.00906 -0.00698 -0.01799 148 4ZZ -0.00220 0.02591 0.00882 -0.00177 -0.03214 149 4XY 0.00293 0.00272 -0.00245 0.01435 -0.02750 150 4XZ -0.00122 -0.02770 0.00470 -0.00534 -0.02621 151 4YZ 0.00143 0.00264 0.00129 0.02036 0.00775 152 18 H 1S 0.00000 0.05634 0.00000 -0.11197 -0.15010 153 2S 0.00000 0.05052 0.00000 -0.09423 -0.07488 154 19 H 1S -0.00191 -0.07819 -0.02194 -0.08484 -0.19783 155 2S -0.07238 -0.02443 0.03000 0.08761 -0.04188 156 20 H 1S 0.00191 -0.07819 0.02194 -0.08484 -0.19783 157 2S 0.07238 -0.02443 -0.03000 0.08761 -0.04188 158 21 H 1S 0.00000 0.03702 0.00000 0.07919 0.08964 159 2S 0.00000 0.00407 0.00000 0.07708 0.24458 160 22 O 1S -0.00186 0.01080 -0.00849 -0.00174 0.01452 161 2S 0.02440 0.05184 -0.01340 -0.03067 -0.13482 162 2PX -0.04319 0.06607 -0.01177 -0.02348 -0.00452 163 2PY 0.02800 -0.08564 -0.04252 -0.07266 0.11357 164 2PZ 0.01783 0.04853 -0.07972 0.00509 0.13820 165 3S 0.02136 -0.49419 0.13230 0.07026 0.26418 166 3PX 0.00347 -0.04423 -0.11388 -0.07298 -0.06763 167 3PY -0.01733 0.33907 0.01452 0.01388 -0.01205 168 3PZ 0.00914 -0.00440 -0.06746 0.07318 0.03809 169 4XX 0.00512 0.05358 -0.01305 -0.00815 -0.01021 170 4YY 0.01150 -0.05525 -0.01115 -0.01384 -0.02059 171 4ZZ 0.00653 0.04799 -0.01701 -0.02074 -0.02284 172 4XY -0.00422 0.02184 -0.00796 -0.01260 0.00404 173 4XZ 0.00977 -0.01921 -0.01774 -0.01579 0.03916 174 4YZ -0.00900 0.02334 0.00248 -0.00084 0.00754 175 23 O 1S 0.00186 0.01080 0.00849 -0.00174 0.01452 176 2S -0.02440 0.05184 0.01339 -0.03067 -0.13482 177 2PX 0.04319 0.06607 0.01177 -0.02348 -0.00452 178 2PY 0.02800 0.08564 -0.04252 0.07266 -0.11357 179 2PZ -0.01783 0.04853 0.07972 0.00509 0.13820 180 3S -0.02136 -0.49419 -0.13229 0.07026 0.26418 181 3PX -0.00347 -0.04423 0.11388 -0.07298 -0.06762 182 3PY -0.01733 -0.33907 0.01452 -0.01388 0.01205 183 3PZ -0.00914 -0.00442 0.06746 0.07318 0.03809 184 4XX -0.00512 0.05358 0.01305 -0.00815 -0.01021 185 4YY -0.01150 -0.05525 0.01115 -0.01384 -0.02059 186 4ZZ -0.00653 0.04799 0.01701 -0.02074 -0.02284 187 4XY -0.00422 -0.02184 -0.00796 0.01260 -0.00404 188 4XZ -0.00977 -0.01921 0.01774 -0.01579 0.03916 189 4YZ -0.00900 -0.02334 0.00248 0.00084 -0.00754 71 72 73 74 75 V V V V V Eigenvalues -- 0.52316 0.54653 0.54787 0.54867 0.56891 1 1 C 1S 0.00900 0.00573 -0.00059 0.00295 -0.01425 2 2S -0.00222 -0.04220 -0.05167 -0.00451 0.08408 3 2PX 0.10644 -0.08837 -0.06910 -0.10157 -0.31257 4 2PY 0.03800 -0.07514 -0.15444 -0.08880 -0.03790 5 2PZ -0.12384 -0.08030 -0.04276 0.04520 -0.10966 6 3S -0.34157 0.12849 0.16743 0.27600 1.12945 7 3PX -0.14056 0.16517 0.18601 0.04850 0.10004 8 3PY -0.32860 0.13194 0.27379 0.41120 0.75572 9 3PZ 0.35716 -0.01521 0.02024 -0.03814 -0.21562 10 4XX 0.01346 -0.00386 -0.02919 0.00063 -0.00196 11 4YY 0.01941 0.00485 0.05566 -0.00786 0.01824 12 4ZZ -0.02599 -0.00239 -0.03662 0.01730 0.00645 13 4XY -0.00179 0.00195 -0.00007 0.01283 -0.00478 14 4XZ -0.01481 0.00896 -0.00274 0.02603 0.04072 15 4YZ -0.03558 0.01209 0.01249 0.01925 0.02385 16 2 H 1S 0.04054 0.05754 0.26301 -0.01772 0.11271 17 2S -0.13430 0.00640 -0.08710 0.20366 0.24333 18 3 C 1S -0.00606 -0.00087 0.00970 -0.00162 0.04594 19 2S -0.17991 0.02064 0.09715 0.18999 0.09134 20 2PX 0.01262 -0.01977 0.01764 -0.19935 -0.01974 21 2PY -0.18846 -0.05074 -0.00119 0.09630 -0.23842 22 2PZ 0.04497 0.03793 -0.16549 0.26822 0.07352 23 3S 0.37945 0.05698 -0.15468 -0.27867 -0.97573 24 3PX 0.09677 0.01579 -0.00234 0.05830 -0.66281 25 3PY 0.22957 0.14576 -0.03779 -0.19678 0.32655 26 3PZ -0.04088 0.00552 0.14510 -0.27128 -0.61404 27 4XX 0.01531 -0.00515 -0.00696 0.00157 -0.01362 28 4YY -0.04916 0.01491 0.01352 0.04496 0.06037 29 4ZZ 0.00329 -0.00251 0.02890 -0.01507 0.00266 30 4XY 0.00936 -0.00418 0.03011 -0.01831 -0.00515 31 4XZ -0.00370 0.00465 0.04123 -0.00959 0.03635 32 4YZ 0.00032 -0.00401 0.03193 0.00176 -0.00601 33 4 H 1S -0.01074 0.01985 0.26219 -0.05718 0.16823 34 2S -0.04800 0.06549 -0.11991 0.01411 -0.20197 35 5 C 1S -0.00606 0.00087 0.00970 -0.00162 -0.04594 36 2S -0.17991 -0.02064 0.09715 0.18999 -0.09134 37 2PX 0.01262 0.01977 0.01764 -0.19935 0.01975 38 2PY 0.18846 -0.05074 0.00120 -0.09631 -0.23842 39 2PZ 0.04498 -0.03793 -0.16549 0.26821 -0.07353 40 3S 0.37945 -0.05698 -0.15468 -0.27867 0.97573 41 3PX 0.09677 -0.01579 -0.00234 0.05831 0.66281 42 3PY -0.22957 0.14576 0.03779 0.19679 0.32653 43 3PZ -0.04089 -0.00552 0.14510 -0.27127 0.61406 44 4XX 0.01531 0.00515 -0.00696 0.00157 0.01362 45 4YY -0.04916 -0.01491 0.01352 0.04496 -0.06037 46 4ZZ 0.00329 0.00251 0.02889 -0.01507 -0.00266 47 4XY -0.00936 -0.00417 -0.03011 0.01831 -0.00515 48 4XZ -0.00370 -0.00465 0.04122 -0.00959 -0.03635 49 4YZ -0.00032 -0.00401 -0.03194 -0.00176 -0.00602 50 6 H 1S -0.01074 -0.01985 0.26219 -0.05718 -0.16823 51 2S -0.04800 -0.06549 -0.11991 0.01411 0.20197 52 7 C 1S 0.00900 -0.00573 -0.00059 0.00295 0.01425 53 2S -0.00222 0.04220 -0.05167 -0.00451 -0.08408 54 2PX 0.10644 0.08837 -0.06909 -0.10157 0.31257 55 2PY -0.03799 -0.07514 0.15444 0.08880 -0.03790 56 2PZ -0.12385 0.08029 -0.04275 0.04520 0.10966 57 3S -0.34157 -0.12849 0.16743 0.27600 -1.12945 58 3PX -0.14056 -0.16517 0.18601 0.04850 -0.10004 59 3PY 0.32859 0.13195 -0.27379 -0.41120 0.75571 60 3PZ 0.35717 0.01521 0.02023 -0.03815 0.21565 61 4XX 0.01346 0.00386 -0.02919 0.00063 0.00196 62 4YY 0.01941 -0.00485 0.05566 -0.00786 -0.01824 63 4ZZ -0.02599 0.00239 -0.03662 0.01730 -0.00645 64 4XY 0.00179 0.00195 0.00007 -0.01283 -0.00478 65 4XZ -0.01481 -0.00896 -0.00274 0.02603 -0.04072 66 4YZ 0.03558 0.01209 -0.01249 -0.01925 0.02385 67 8 H 1S 0.04054 -0.05754 0.26301 -0.01772 -0.11271 68 2S -0.13430 -0.00640 -0.08710 0.20366 -0.24333 69 9 C 1S 0.00316 -0.00388 0.00068 0.00096 -0.00265 70 2S -0.11648 0.04277 -0.06186 0.09981 0.11667 71 2PX 0.01445 -0.10523 0.06429 -0.23210 -0.04357 72 2PY 0.07439 0.07390 -0.19291 0.06805 -0.05801 73 2PZ 0.27277 -0.11205 0.09826 -0.27091 -0.16941 74 3S 0.15267 -0.28498 -0.17601 -0.21721 -0.56041 75 3PX 0.00047 -0.04622 -0.11772 0.26118 0.31136 76 3PY -0.04454 -0.15977 0.25147 -0.12018 -0.31018 77 3PZ -0.32960 0.08424 -0.05939 0.35103 0.42709 78 4XX 0.00287 0.00994 0.02643 -0.03047 -0.00338 79 4YY -0.00476 -0.00935 -0.04676 0.02871 0.00367 80 4ZZ -0.01540 -0.00898 -0.00718 0.01714 -0.00004 81 4XY 0.00627 -0.00236 -0.02245 0.01529 0.00001 82 4XZ -0.02149 -0.00649 0.00206 -0.01423 -0.01262 83 4YZ -0.00579 -0.00419 -0.03314 -0.01480 -0.00833 84 10 H 1S 0.06271 0.00691 0.06192 0.05795 0.06038 85 2S -0.05191 -0.04576 -0.01776 -0.02803 0.01689 86 11 H 1S -0.00184 0.01441 0.15749 -0.13232 -0.08359 87 2S -0.01814 0.15945 0.00892 0.10856 -0.22198 88 12 C 1S 0.00316 0.00388 0.00068 0.00096 0.00265 89 2S -0.11648 -0.04277 -0.06186 0.09981 -0.11667 90 2PX 0.01445 0.10523 0.06429 -0.23210 0.04357 91 2PY -0.07440 0.07389 0.19291 -0.06804 -0.05801 92 2PZ 0.27277 0.11205 0.09827 -0.27091 0.16941 93 3S 0.15267 0.28498 -0.17601 -0.21722 0.56040 94 3PX 0.00047 0.04622 -0.11772 0.26118 -0.31136 95 3PY 0.04455 -0.15976 -0.25147 0.12016 -0.31016 96 3PZ -0.32960 -0.08424 -0.05940 0.35103 -0.42710 97 4XX 0.00287 -0.00994 0.02643 -0.03047 0.00338 98 4YY -0.00477 0.00935 -0.04677 0.02871 -0.00367 99 4ZZ -0.01540 0.00898 -0.00717 0.01714 0.00004 100 4XY -0.00627 -0.00236 0.02245 -0.01529 0.00001 101 4XZ -0.02149 0.00649 0.00206 -0.01423 0.01262 102 4YZ 0.00579 -0.00419 0.03314 0.01481 -0.00833 103 13 H 1S 0.06271 -0.00692 0.06192 0.05795 -0.06038 104 2S -0.05191 0.04576 -0.01776 -0.02803 -0.01689 105 14 H 1S -0.00184 -0.01441 0.15749 -0.13232 0.08359 106 2S -0.01814 -0.15945 0.00892 0.10856 0.22198 107 15 C 1S -0.01514 0.00000 -0.00363 -0.02239 0.00000 108 2S 0.14615 0.00000 0.13375 0.25146 0.00000 109 2PX -0.06754 0.00000 -0.17582 -0.28113 0.00000 110 2PY 0.00001 -0.85348 0.00000 0.00001 0.25765 111 2PZ -0.45846 -0.00002 -0.22650 -0.30818 0.00001 112 3S -0.30178 0.00000 -0.23282 -0.34894 0.00000 113 3PX 0.11479 0.00000 0.63414 0.66046 0.00000 114 3PY -0.00002 1.46684 0.00000 -0.00002 -0.53812 115 3PZ 0.94780 0.00002 0.72883 0.94605 -0.00001 116 4XX 0.02772 0.00000 0.00798 0.01270 0.00000 117 4YY -0.03416 0.00000 -0.02558 -0.01960 0.00000 118 4ZZ -0.03183 0.00000 0.00555 -0.02083 0.00000 119 4XY 0.00000 -0.04312 0.00000 0.00000 0.03034 120 4XZ 0.00054 0.00000 0.03059 0.01646 0.00000 121 4YZ 0.00000 -0.05049 0.00000 0.00000 0.02434 122 16 C 1S -0.00944 -0.04597 -0.00661 -0.02133 0.01978 123 2S 0.01700 0.04464 -0.16620 0.00689 -0.08455 124 2PX 0.33505 -0.14721 -0.29037 0.00118 -0.43675 125 2PY -0.06250 0.18018 -0.13176 -0.18633 0.07034 126 2PZ -0.13090 0.03244 0.02835 0.07926 -0.05742 127 3S -0.14340 1.08407 0.00830 -0.13918 -0.12615 128 3PX -0.40212 0.68418 0.54104 0.14206 0.89788 129 3PY 0.19256 0.72427 0.38037 0.35563 -0.13513 130 3PZ 0.17636 0.27190 0.15222 -0.03101 0.07754 131 4XX -0.02496 0.00942 -0.00439 0.00147 0.01655 132 4YY 0.00107 -0.02169 -0.03088 -0.00931 -0.00731 133 4ZZ 0.00252 0.00997 0.01537 -0.00806 0.02194 134 4XY 0.02333 -0.01326 -0.04772 -0.00788 0.00656 135 4XZ -0.01118 -0.01144 -0.01525 -0.02017 0.02834 136 4YZ 0.02613 -0.01531 -0.00189 -0.00882 -0.00055 137 17 C 1S -0.00944 0.04597 -0.00661 -0.02133 -0.01978 138 2S 0.01700 -0.04464 -0.16620 0.00689 0.08455 139 2PX 0.33505 0.14722 -0.29037 0.00118 0.43675 140 2PY 0.06251 0.18018 0.13176 0.18633 0.07034 141 2PZ -0.13090 -0.03243 0.02835 0.07927 0.05743 142 3S -0.14340 -1.08407 0.00829 -0.13918 0.12615 143 3PX -0.40213 -0.68419 0.54103 0.14206 -0.89788 144 3PY -0.19257 0.72429 -0.38036 -0.35563 -0.13513 145 3PZ 0.17635 -0.27187 0.15220 -0.03102 -0.07755 146 4XX -0.02496 -0.00942 -0.00439 0.00147 -0.01655 147 4YY 0.00107 0.02170 -0.03088 -0.00931 0.00731 148 4ZZ 0.00252 -0.00997 0.01537 -0.00806 -0.02194 149 4XY -0.02333 -0.01326 0.04772 0.00788 0.00656 150 4XZ -0.01118 0.01143 -0.01525 -0.02017 -0.02834 151 4YZ -0.02613 -0.01531 0.00188 0.00882 -0.00055 152 18 H 1S 0.06054 0.00000 -0.09371 -0.06885 0.00000 153 2S 0.03874 0.00000 -0.19608 -0.13656 0.00000 154 19 H 1S 0.09121 -0.08755 0.00242 -0.12373 0.04089 155 2S 0.08668 0.39140 0.31275 0.18559 0.03408 156 20 H 1S 0.09121 0.08755 0.00242 -0.12373 -0.04089 157 2S 0.08668 -0.39141 0.31274 0.18559 -0.03408 158 21 H 1S -0.16536 0.00000 -0.13072 -0.22985 0.00000 159 2S -0.22762 0.00000 -0.20070 -0.31329 0.00000 160 22 O 1S -0.00214 -0.00737 0.00120 0.00434 0.00342 161 2S -0.13984 0.09617 -0.01294 -0.15654 -0.07782 162 2PX 0.10179 0.02723 -0.07680 0.02813 0.10068 163 2PY 0.15663 -0.21102 0.03977 0.11663 0.14945 164 2PZ -0.08791 0.05690 -0.03774 -0.04650 0.04623 165 3S 0.61701 -0.27750 0.08035 0.56872 0.54585 166 3PX 0.00952 -0.21854 0.05018 -0.01000 0.04144 167 3PY -0.19743 0.01610 -0.02208 -0.15442 -0.09890 168 3PZ -0.12207 -0.25868 0.06391 0.01248 -0.02109 169 4XX -0.04010 0.02058 -0.01285 -0.03972 0.00342 170 4YY 0.00213 -0.00018 0.02099 -0.00640 -0.01381 171 4ZZ -0.04400 0.01480 -0.01039 -0.04210 0.00359 172 4XY 0.00353 0.05392 -0.01830 -0.01254 -0.00365 173 4XZ 0.03596 -0.01610 -0.01296 0.02836 0.05647 174 4YZ -0.00379 0.05931 -0.02258 -0.01779 0.00426 175 23 O 1S -0.00214 0.00737 0.00120 0.00434 -0.00342 176 2S -0.13984 -0.09617 -0.01294 -0.15654 0.07782 177 2PX 0.10179 -0.02723 -0.07680 0.02813 -0.10068 178 2PY -0.15663 -0.21102 -0.03977 -0.11662 0.14945 179 2PZ -0.08792 -0.05691 -0.03774 -0.04650 -0.04623 180 3S 0.61701 0.27750 0.08036 0.56872 -0.54585 181 3PX 0.00952 0.21854 0.05018 -0.01000 -0.04144 182 3PY 0.19744 0.01609 0.02208 0.15442 -0.09890 183 3PZ -0.12206 0.25867 0.06392 0.01249 0.02108 184 4XX -0.04010 -0.02058 -0.01285 -0.03972 -0.00342 185 4YY 0.00213 0.00018 0.02099 -0.00641 0.01381 186 4ZZ -0.04400 -0.01480 -0.01039 -0.04210 -0.00359 187 4XY -0.00353 0.05391 0.01830 0.01254 -0.00365 188 4XZ 0.03596 0.01610 -0.01296 0.02836 -0.05647 189 4YZ 0.00379 0.05931 0.02258 0.01780 0.00426 76 77 78 79 80 V V V V V Eigenvalues -- 0.57934 0.60743 0.61335 0.61823 0.63631 1 1 C 1S -0.04632 0.03205 0.00299 0.02864 -0.00125 2 2S 0.00217 0.03533 0.14763 -0.06679 0.05547 3 2PX 0.02266 -0.01880 -0.15826 -0.19102 -0.12212 4 2PY 0.11245 -0.11477 0.06944 0.08336 -0.01320 5 2PZ 0.00281 0.12854 0.05822 0.22819 0.47156 6 3S -0.11874 0.08069 -0.47103 -0.23631 -0.47045 7 3PX -0.30233 0.45286 0.09815 0.42904 0.18797 8 3PY -0.07632 0.24746 -0.41807 -0.77735 -0.26976 9 3PZ -0.12632 0.32268 -0.05049 -0.09680 -0.60598 10 4XX 0.02318 -0.01962 0.01649 0.03104 0.01820 11 4YY -0.03221 0.03853 0.02960 -0.03257 -0.01886 12 4ZZ -0.04532 0.03158 -0.02861 0.01866 0.00444 13 4XY 0.03578 -0.02178 -0.02096 -0.01419 -0.02065 14 4XZ -0.06397 0.05133 -0.02246 0.00526 -0.01099 15 4YZ -0.01035 0.03618 0.02631 0.01176 0.01810 16 2 H 1S -0.23796 0.16237 0.10862 -0.05960 -0.02498 17 2S 0.00854 0.03248 -0.24776 -0.31271 -0.05903 18 3 C 1S 0.02297 -0.01987 0.00852 -0.02372 -0.02650 19 2S -0.06308 0.14436 0.12639 -0.22301 0.02181 20 2PX -0.22302 -0.05258 -0.48239 0.08583 -0.26954 21 2PY 0.28144 -0.11548 -0.06863 -0.17283 0.07863 22 2PZ -0.12522 0.25481 0.26128 0.06420 0.15251 23 3S -0.04686 -0.00758 -0.11504 0.67908 0.29968 24 3PX 0.19928 0.31611 0.61772 0.09399 0.61327 25 3PY -0.30223 -0.24880 0.23420 0.19764 0.08378 26 3PZ 0.02639 0.02209 -0.09248 0.11237 0.09995 27 4XX -0.01057 -0.00316 -0.01415 -0.02515 -0.02656 28 4YY 0.02671 0.01809 0.00210 -0.04658 -0.01844 29 4ZZ 0.00416 -0.00134 0.06270 0.00919 0.02956 30 4XY -0.01575 0.00192 -0.02490 -0.01468 0.01089 31 4XZ 0.01698 -0.01540 0.04334 -0.03473 -0.01491 32 4YZ -0.02143 0.00097 0.02861 -0.02741 -0.00041 33 4 H 1S 0.01110 -0.04074 0.20332 -0.23023 -0.06942 34 2S 0.00019 0.13972 0.08623 0.12277 0.16897 35 5 C 1S 0.02297 0.01987 0.00852 -0.02372 0.02650 36 2S -0.06308 -0.14436 0.12639 -0.22301 -0.02181 37 2PX -0.22302 0.05259 -0.48239 0.08584 0.26954 38 2PY -0.28143 -0.11548 0.06862 0.17283 0.07863 39 2PZ -0.12523 -0.25482 0.26129 0.06421 -0.15251 40 3S -0.04685 0.00757 -0.11504 0.67908 -0.29968 41 3PX 0.19928 -0.31611 0.61772 0.09399 -0.61327 42 3PY 0.30223 -0.24880 -0.23420 -0.19764 0.08379 43 3PZ 0.02640 -0.02210 -0.09249 0.11237 -0.09995 44 4XX -0.01057 0.00316 -0.01415 -0.02515 0.02656 45 4YY 0.02671 -0.01809 0.00210 -0.04658 0.01844 46 4ZZ 0.00416 0.00134 0.06270 0.00919 -0.02956 47 4XY 0.01575 0.00192 0.02490 0.01468 0.01089 48 4XZ 0.01698 0.01540 0.04334 -0.03473 0.01491 49 4YZ 0.02143 0.00097 -0.02861 0.02741 -0.00041 50 6 H 1S 0.01110 0.04074 0.20332 -0.23023 0.06942 51 2S 0.00019 -0.13972 0.08623 0.12276 -0.16897 52 7 C 1S -0.04632 -0.03205 0.00299 0.02864 0.00125 53 2S 0.00217 -0.03533 0.14763 -0.06679 -0.05547 54 2PX 0.02266 0.01881 -0.15826 -0.19102 0.12212 55 2PY -0.11245 -0.11477 -0.06945 -0.08337 -0.01318 56 2PZ 0.00281 -0.12854 0.05822 0.22819 -0.47156 57 3S -0.11875 -0.08069 -0.47104 -0.23631 0.47045 58 3PX -0.30233 -0.45287 0.09815 0.42903 -0.18797 59 3PY 0.07633 0.24746 0.41807 0.77736 -0.26978 60 3PZ -0.12632 -0.32267 -0.05048 -0.09677 0.60597 61 4XX 0.02318 0.01962 0.01649 0.03104 -0.01821 62 4YY -0.03221 -0.03854 0.02960 -0.03257 0.01886 63 4ZZ -0.04532 -0.03158 -0.02861 0.01866 -0.00444 64 4XY -0.03577 -0.02178 0.02096 0.01419 -0.02065 65 4XZ -0.06397 -0.05133 -0.02246 0.00526 0.01099 66 4YZ 0.01035 0.03618 -0.02631 -0.01176 0.01810 67 8 H 1S -0.23796 -0.16237 0.10862 -0.05961 0.02498 68 2S 0.00854 -0.03248 -0.24776 -0.31271 0.05903 69 9 C 1S 0.01475 -0.00271 0.00444 -0.00859 0.02528 70 2S -0.12541 0.14552 -0.01705 -0.01993 -0.23406 71 2PX 0.00938 -0.09582 0.16360 0.06159 0.07823 72 2PY 0.24630 0.04729 -0.05457 -0.33689 -0.31951 73 2PZ 0.33540 -0.38613 0.05337 0.02695 -0.01530 74 3S 0.33035 -0.51277 0.01857 -0.10273 1.00039 75 3PX 0.05092 0.20296 -0.29580 -0.19856 -0.18670 76 3PY -0.35145 0.01241 0.17820 0.64584 0.75650 77 3PZ -0.39518 1.03853 -0.28615 -0.19740 -0.11157 78 4XX -0.00545 -0.01705 0.02315 0.03489 -0.03157 79 4YY 0.01432 0.00224 -0.02671 -0.06354 0.03133 80 4ZZ -0.00033 0.02032 0.00270 0.00944 0.00900 81 4XY 0.01813 -0.00334 -0.01066 0.00902 0.00516 82 4XZ -0.00125 0.00808 0.00997 -0.01345 0.02600 83 4YZ 0.00832 0.00058 -0.00253 0.04210 0.01762 84 10 H 1S 0.02453 -0.02254 0.06166 0.03830 0.04349 85 2S 0.03053 -0.10393 0.06993 0.06538 0.16980 86 11 H 1S -0.01266 -0.06813 0.15691 0.00619 0.03312 87 2S -0.01759 -0.01854 0.09268 0.12521 0.13494 88 12 C 1S 0.01475 0.00271 0.00444 -0.00859 -0.02528 89 2S -0.12541 -0.14552 -0.01706 -0.01993 0.23406 90 2PX 0.00938 0.09582 0.16360 0.06160 -0.07822 91 2PY -0.24632 0.04727 0.05457 0.33689 -0.31951 92 2PZ 0.33539 0.38613 0.05337 0.02697 0.01528 93 3S 0.33035 0.51277 0.01858 -0.10273 -1.00039 94 3PX 0.05092 -0.20296 -0.29580 -0.19856 0.18670 95 3PY 0.35146 0.01246 -0.17820 -0.64583 0.75649 96 3PZ -0.39517 -1.03853 -0.28616 -0.19744 0.11160 97 4XX -0.00545 0.01705 0.02315 0.03489 0.03157 98 4YY 0.01432 -0.00224 -0.02671 -0.06353 -0.03133 99 4ZZ -0.00033 -0.02032 0.00270 0.00943 -0.00900 100 4XY -0.01813 -0.00334 0.01066 -0.00902 0.00516 101 4XZ -0.00125 -0.00808 0.00997 -0.01345 -0.02600 102 4YZ -0.00832 0.00058 0.00253 -0.04210 0.01762 103 13 H 1S 0.02453 0.02254 0.06166 0.03830 -0.04349 104 2S 0.03053 0.10393 0.06993 0.06538 -0.16980 105 14 H 1S -0.01266 0.06813 0.15691 0.00619 -0.03312 106 2S -0.01758 0.01854 0.09268 0.12521 -0.13494 107 15 C 1S 0.00672 0.00000 0.00311 0.00174 0.00000 108 2S -0.03542 0.00000 -0.00718 -0.03273 0.00000 109 2PX -0.08769 0.00000 0.02110 0.02759 0.00000 110 2PY 0.00000 0.04604 0.00000 0.00000 -0.00713 111 2PZ -0.04551 0.00000 0.08460 -0.12307 0.00000 112 3S -0.01864 0.00000 -0.07418 0.07526 0.00000 113 3PX 0.46549 0.00000 -0.14449 0.05273 0.00000 114 3PY -0.00001 -0.09956 0.00001 -0.00001 0.07582 115 3PZ 0.29339 0.00000 -0.34189 0.51990 0.00000 116 4XX 0.00060 0.00000 -0.01688 0.00841 0.00000 117 4YY -0.00665 0.00000 0.01210 0.01986 0.00000 118 4ZZ 0.00259 0.00000 0.01034 -0.02784 0.00000 119 4XY 0.00000 -0.02055 0.00000 0.00000 0.01142 120 4XZ 0.03118 0.00000 -0.01176 0.03020 0.00000 121 4YZ 0.00000 -0.00655 0.00000 0.00000 -0.00525 122 16 C 1S -0.00533 0.01846 0.01199 -0.00897 -0.01499 123 2S -0.34790 0.22840 0.13636 -0.21676 0.14387 124 2PX -0.10734 0.17634 0.12778 -0.03991 -0.01433 125 2PY 0.06060 -0.33690 0.16183 0.06952 0.23757 126 2PZ -0.12503 0.23663 -0.04716 -0.12707 -0.11712 127 3S 0.64564 -0.66049 0.03055 0.46163 -0.68293 128 3PX 0.26522 -0.53544 -0.14765 0.14145 0.17576 129 3PY -0.16203 0.33524 -0.39304 -0.20992 -0.76951 130 3PZ 0.19561 -0.51818 -0.00423 0.06525 -0.15672 131 4XX 0.01625 -0.02777 0.02564 0.00534 0.05020 132 4YY -0.03595 0.06435 0.03863 -0.01183 -0.04352 133 4ZZ -0.01962 -0.00801 -0.02286 -0.02911 0.00401 134 4XY -0.01725 0.00329 0.01259 -0.01358 0.00558 135 4XZ -0.01730 -0.00245 0.01811 -0.01521 -0.00563 136 4YZ -0.04666 0.00509 0.00046 -0.05780 -0.00839 137 17 C 1S -0.00533 -0.01846 0.01199 -0.00897 0.01499 138 2S -0.34790 -0.22840 0.13636 -0.21676 -0.14387 139 2PX -0.10734 -0.17634 0.12777 -0.03991 0.01433 140 2PY -0.06060 -0.33689 -0.16183 -0.06952 0.23756 141 2PZ -0.12503 -0.23664 -0.04717 -0.12708 0.11713 142 3S 0.64564 0.66049 0.03056 0.46164 0.68293 143 3PX 0.26522 0.53544 -0.14765 0.14146 -0.17576 144 3PY 0.16202 0.33522 0.39304 0.20991 -0.76952 145 3PZ 0.19562 0.51819 -0.00422 0.06527 0.15669 146 4XX 0.01625 0.02777 0.02564 0.00534 -0.05020 147 4YY -0.03596 -0.06435 0.03863 -0.01183 0.04352 148 4ZZ -0.01961 0.00801 -0.02286 -0.02911 -0.00401 149 4XY 0.01725 0.00329 -0.01259 0.01358 0.00558 150 4XZ -0.01730 0.00245 0.01811 -0.01521 0.00563 151 4YZ 0.04666 0.00508 -0.00046 0.05780 -0.00839 152 18 H 1S -0.08722 0.00000 -0.00111 -0.02244 0.00000 153 2S -0.20517 0.00000 0.09487 -0.00104 0.00000 154 19 H 1S -0.17118 0.09522 0.00263 -0.28336 -0.20249 155 2S 0.04863 -0.04654 -0.18007 0.01021 -0.24492 156 20 H 1S -0.17118 -0.09522 0.00263 -0.28336 0.20249 157 2S 0.04863 0.04654 -0.18007 0.01021 0.24492 158 21 H 1S -0.08734 0.00000 0.10551 -0.19891 0.00000 159 2S -0.05846 0.00000 0.14882 -0.19904 0.00000 160 22 O 1S 0.00312 0.00518 0.00036 0.00267 -0.00252 161 2S -0.02575 -0.02868 0.01996 -0.06318 0.05441 162 2PX -0.05919 -0.07569 -0.00534 0.03001 0.01939 163 2PY -0.10318 -0.09278 -0.03117 -0.13872 0.02635 164 2PZ -0.03143 -0.05434 0.04677 -0.04792 -0.04086 165 3S -0.12433 -0.39300 -0.09159 0.00188 -0.03974 166 3PX 0.10640 0.16421 0.02295 0.05357 -0.02377 167 3PY 0.01755 0.07621 -0.03010 0.02714 0.03783 168 3PZ 0.10300 0.11047 0.00078 0.02976 -0.03688 169 4XX -0.03161 -0.04999 -0.00150 -0.03264 0.03822 170 4YY -0.00103 0.00503 0.00501 -0.02291 0.00362 171 4ZZ -0.00323 -0.00952 0.00513 -0.01441 0.00613 172 4XY -0.01986 -0.01736 -0.00224 -0.02095 -0.00114 173 4XZ -0.03223 -0.05520 0.00745 -0.01457 0.01013 174 4YZ -0.00810 -0.01179 0.00721 -0.00977 -0.00319 175 23 O 1S 0.00312 -0.00518 0.00036 0.00267 0.00252 176 2S -0.02575 0.02868 0.01996 -0.06318 -0.05441 177 2PX -0.05919 0.07569 -0.00534 0.03002 -0.01939 178 2PY 0.10318 -0.09278 0.03117 0.13873 0.02635 179 2PZ -0.03143 0.05434 0.04677 -0.04791 0.04087 180 3S -0.12433 0.39300 -0.09159 0.00188 0.03974 181 3PX 0.10640 -0.16421 0.02295 0.05357 0.02377 182 3PY -0.01756 0.07621 0.03010 -0.02714 0.03783 183 3PZ 0.10300 -0.11047 0.00078 0.02976 0.03688 184 4XX -0.03161 0.04999 -0.00150 -0.03264 -0.03822 185 4YY -0.00103 -0.00503 0.00501 -0.02291 -0.00362 186 4ZZ -0.00323 0.00952 0.00513 -0.01441 -0.00613 187 4XY 0.01987 -0.01736 0.00224 0.02095 -0.00113 188 4XZ -0.03223 0.05520 0.00745 -0.01457 -0.01013 189 4YZ 0.00810 -0.01179 -0.00721 0.00976 -0.00319 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S -0.01596 0.00039 0.01539 0.00177 -0.01016 2 2S 0.13196 0.19974 -0.31506 -0.15357 -0.06522 3 2PX -0.20700 -0.02791 0.22041 0.27940 0.33085 4 2PY 0.09175 0.22001 -0.38880 0.10199 0.03101 5 2PZ -0.16104 -0.02604 0.03766 -0.57864 -0.07852 6 3S -0.52193 -0.56575 0.75166 0.51805 -0.17621 7 3PX -0.05441 0.06070 -0.79417 -0.18682 -0.62111 8 3PY -0.31356 -0.59589 0.95242 -0.28777 -0.04451 9 3PZ 0.20148 0.12253 -0.14159 1.37130 0.13365 10 4XX 0.03423 0.01574 -0.00044 0.00462 0.00739 11 4YY -0.02156 0.01496 0.02483 -0.04485 0.00827 12 4ZZ -0.01794 -0.02117 -0.01898 0.02188 -0.03448 13 4XY 0.01044 -0.01117 0.00613 0.01329 0.01578 14 4XZ -0.03370 0.00780 0.01102 0.00163 -0.00902 15 4YZ 0.02063 -0.02493 -0.01127 0.01102 -0.00452 16 2 H 1S -0.14274 0.13516 0.05768 -0.09197 0.02553 17 2S 0.00298 -0.13458 0.31161 -0.05808 -0.02092 18 3 C 1S 0.04388 0.04067 -0.02179 -0.00066 -0.02249 19 2S -0.18409 0.01599 -0.19129 0.03950 0.11325 20 2PX -0.42792 0.01924 -0.02952 -0.14865 -0.36930 21 2PY -0.24116 -0.19982 -0.19004 0.00905 0.10197 22 2PZ 0.16977 0.06716 0.12718 0.11302 0.23454 23 3S 0.68019 0.05610 -0.49770 0.33061 -0.36036 24 3PX 0.68472 -0.01981 -0.17982 0.43528 0.95771 25 3PY 0.61400 -0.00946 0.28706 -0.08001 -0.15892 26 3PZ -0.27653 -0.18085 -0.44492 -0.17987 -0.40898 27 4XX -0.01810 0.00021 -0.01718 -0.00204 0.00082 28 4YY 0.05569 0.03386 -0.03660 0.00921 -0.01785 29 4ZZ 0.00472 0.01635 -0.01255 0.00318 0.01676 30 4XY -0.00623 0.00961 0.05108 -0.03837 0.00901 31 4XZ 0.04063 0.04481 -0.05956 0.00282 -0.01294 32 4YZ -0.01271 0.00701 0.03756 -0.01357 0.00663 33 4 H 1S 0.15104 0.17450 -0.03546 -0.04069 -0.03721 34 2S 0.04250 -0.24949 -0.17671 0.10211 0.11779 35 5 C 1S -0.04388 -0.04067 -0.02179 -0.00066 0.02249 36 2S 0.18409 -0.01599 -0.19129 0.03950 -0.11324 37 2PX 0.42792 -0.01924 -0.02952 -0.14865 0.36930 38 2PY -0.24115 -0.19982 0.19003 -0.00906 0.10198 39 2PZ -0.16978 -0.06716 0.12718 0.11301 -0.23453 40 3S -0.68019 -0.05610 -0.49770 0.33061 0.36036 41 3PX -0.68472 0.01981 -0.17982 0.43528 -0.95772 42 3PY 0.61400 -0.00947 -0.28704 0.08001 -0.15894 43 3PZ 0.27656 0.18085 -0.44493 -0.17987 0.40897 44 4XX 0.01810 -0.00021 -0.01718 -0.00204 -0.00082 45 4YY -0.05569 -0.03386 -0.03660 0.00921 0.01785 46 4ZZ -0.00472 -0.01635 -0.01256 0.00319 -0.01676 47 4XY -0.00623 0.00961 -0.05108 0.03837 0.00900 48 4XZ -0.04063 -0.04481 -0.05956 0.00282 0.01294 49 4YZ -0.01271 0.00701 -0.03756 0.01357 0.00663 50 6 H 1S -0.15104 -0.17450 -0.03546 -0.04069 0.03721 51 2S -0.04250 0.24949 -0.17670 0.10211 -0.11779 52 7 C 1S 0.01596 -0.00039 0.01539 0.00177 0.01016 53 2S -0.13196 -0.19974 -0.31506 -0.15357 0.06522 54 2PX 0.20699 0.02791 0.22042 0.27940 -0.33084 55 2PY 0.09175 0.22000 0.38880 -0.10197 0.03101 56 2PZ 0.16105 0.02605 0.03767 -0.57864 0.07852 57 3S 0.52194 0.56575 0.75166 0.51805 0.17620 58 3PX 0.05441 -0.06070 -0.79417 -0.18682 0.62110 59 3PY -0.31356 -0.59589 -0.95241 0.28772 -0.04450 60 3PZ -0.20149 -0.12255 -0.14163 1.37131 -0.13366 61 4XX -0.03423 -0.01574 -0.00044 0.00462 -0.00739 62 4YY 0.02156 -0.01496 0.02482 -0.04485 -0.00827 63 4ZZ 0.01794 0.02117 -0.01898 0.02188 0.03448 64 4XY 0.01044 -0.01117 -0.00613 -0.01329 0.01578 65 4XZ 0.03370 -0.00780 0.01102 0.00163 0.00902 66 4YZ 0.02063 -0.02493 0.01127 -0.01103 -0.00453 67 8 H 1S 0.14274 -0.13516 0.05768 -0.09197 -0.02553 68 2S -0.00298 0.13458 0.31161 -0.05808 0.02092 69 9 C 1S -0.01275 0.02763 0.00405 -0.02146 0.00407 70 2S 0.06145 -0.31579 -0.10742 0.11659 -0.02068 71 2PX 0.07094 -0.01414 -0.09426 -0.04718 -0.06432 72 2PY 0.29711 -0.45352 0.08290 -0.29161 0.06676 73 2PZ 0.11987 0.24323 -0.14119 -0.10991 0.12071 74 3S -0.24949 1.09484 0.30104 -0.91074 -0.10597 75 3PX -0.11575 -0.11576 0.30569 0.18953 0.20497 76 3PY -0.62682 1.47135 -0.38942 0.66659 -0.24685 77 3PZ -0.33523 -0.97870 0.40936 0.37652 -0.37412 78 4XX 0.01801 -0.00982 -0.02296 0.03434 0.00570 79 4YY -0.02989 0.03741 0.01020 -0.01434 -0.00687 80 4ZZ 0.00503 -0.02596 0.00646 -0.04539 0.00191 81 4XY 0.00144 -0.00092 0.01801 -0.02752 0.00017 82 4XZ -0.00003 -0.01834 -0.01213 -0.00582 -0.00855 83 4YZ -0.00862 0.00201 -0.06661 0.00364 -0.00240 84 10 H 1S -0.02150 0.19715 0.07256 -0.18927 -0.00229 85 2S -0.05709 0.36652 -0.28896 0.09130 0.09154 86 11 H 1S -0.02428 0.14085 -0.07612 0.01295 0.05509 87 2S -0.07960 0.35715 -0.19637 -0.08561 -0.07312 88 12 C 1S 0.01275 -0.02763 0.00405 -0.02146 -0.00407 89 2S -0.06145 0.31579 -0.10742 0.11659 0.02068 90 2PX -0.07094 0.01414 -0.09426 -0.04718 0.06432 91 2PY 0.29711 -0.45351 -0.08289 0.29161 0.06677 92 2PZ -0.11986 -0.24325 -0.14120 -0.10990 -0.12070 93 3S 0.24950 -1.09484 0.30105 -0.91074 0.10597 94 3PX 0.11575 0.11576 0.30568 0.18953 -0.20497 95 3PY -0.62684 1.47131 0.38940 -0.66661 -0.24686 96 3PZ 0.33521 0.97875 0.40938 0.37649 0.37410 97 4XX -0.01801 0.00982 -0.02296 0.03434 -0.00570 98 4YY 0.02989 -0.03741 0.01020 -0.01434 0.00687 99 4ZZ -0.00503 0.02596 0.00646 -0.04539 -0.00191 100 4XY 0.00144 -0.00092 -0.01801 0.02752 0.00017 101 4XZ 0.00003 0.01834 -0.01213 -0.00581 0.00855 102 4YZ -0.00861 0.00201 0.06661 -0.00364 -0.00240 103 13 H 1S 0.02150 -0.19715 0.07256 -0.18927 0.00229 104 2S 0.05709 -0.36652 -0.28896 0.09130 -0.09154 105 14 H 1S 0.02428 -0.14085 -0.07612 0.01295 -0.05509 106 2S 0.07960 -0.35715 -0.19637 -0.08561 0.07312 107 15 C 1S 0.00000 0.00000 -0.00782 -0.00062 0.00000 108 2S 0.00000 0.00000 -0.02791 0.03203 0.00000 109 2PX 0.00000 0.00000 -0.14211 0.04270 0.00000 110 2PY 0.00690 -0.11718 0.00000 0.00000 0.00318 111 2PZ 0.00000 0.00000 0.19919 -0.00971 0.00000 112 3S 0.00000 0.00000 0.07493 -0.03200 0.00000 113 3PX 0.00000 0.00000 0.55984 -0.11932 0.00000 114 3PY -0.02808 0.23172 0.00001 0.00000 0.09579 115 3PZ 0.00000 0.00000 -0.30149 0.09413 0.00000 116 4XX 0.00000 0.00000 -0.01675 0.00899 0.00000 117 4YY 0.00000 0.00000 0.00982 0.02204 0.00000 118 4ZZ 0.00000 0.00000 0.00294 -0.01697 0.00000 119 4XY -0.01311 -0.01827 0.00000 0.00000 0.02576 120 4XZ 0.00000 0.00000 0.03374 0.01119 0.00000 121 4YZ -0.00173 -0.01544 0.00000 0.00000 0.01047 122 16 C 1S -0.00159 0.01345 0.00636 -0.01662 -0.00627 123 2S 0.09429 -0.02709 -0.16149 -0.11922 -0.33761 124 2PX 0.29347 0.08911 0.01238 -0.09402 -0.31930 125 2PY 0.09448 -0.20691 0.16815 0.02574 -0.38109 126 2PZ -0.10988 0.05381 -0.22056 0.06931 -0.00956 127 3S -0.51542 0.34678 0.49818 0.50493 1.87008 128 3PX -0.68339 -0.25199 0.15936 0.02826 1.00546 129 3PY -0.32299 0.69189 -0.37793 -0.19784 1.04116 130 3PZ 0.05503 0.03162 0.45951 0.00728 0.60725 131 4XX 0.01615 -0.03512 0.03097 -0.02273 -0.01323 132 4YY -0.01973 0.03974 0.00460 -0.01106 0.05511 133 4ZZ -0.00312 0.00451 -0.03594 0.00305 -0.02735 134 4XY 0.00430 -0.00343 -0.03107 -0.02836 -0.01761 135 4XZ -0.00650 -0.00722 0.00863 -0.00055 0.00376 136 4YZ 0.00048 0.00722 0.00738 -0.00892 -0.00474 137 17 C 1S 0.00159 -0.01345 0.00636 -0.01662 0.00627 138 2S -0.09429 0.02709 -0.16149 -0.11922 0.33761 139 2PX -0.29347 -0.08911 0.01238 -0.09402 0.31930 140 2PY 0.09447 -0.20690 -0.16814 -0.02575 -0.38109 141 2PZ 0.10988 -0.05382 -0.22057 0.06931 0.00955 142 3S 0.51542 -0.34678 0.49818 0.50493 -1.87008 143 3PX 0.68339 0.25199 0.15936 0.02826 -1.00545 144 3PY -0.32299 0.69189 0.37791 0.19784 1.04118 145 3PZ -0.05504 -0.03159 0.45952 0.00729 -0.60721 146 4XX -0.01615 0.03512 0.03097 -0.02273 0.01323 147 4YY 0.01973 -0.03974 0.00460 -0.01106 -0.05511 148 4ZZ 0.00312 -0.00450 -0.03595 0.00306 0.02735 149 4XY 0.00430 -0.00343 0.03107 0.02836 -0.01761 150 4XZ 0.00650 0.00722 0.00863 -0.00055 -0.00376 151 4YZ 0.00048 0.00722 -0.00738 0.00892 -0.00475 152 18 H 1S 0.00000 0.00000 -0.21831 -0.02974 0.00000 153 2S 0.00000 0.00000 -0.28164 0.08683 0.00000 154 19 H 1S -0.02606 0.17400 0.04814 -0.06173 -0.07846 155 2S -0.06710 0.13584 0.01432 -0.06302 0.39540 156 20 H 1S 0.02606 -0.17400 0.04814 -0.06173 0.07846 157 2S 0.06710 -0.13584 0.01432 -0.06302 -0.39540 158 21 H 1S 0.00000 0.00000 -0.08968 -0.09415 0.00000 159 2S 0.00000 0.00000 0.25221 0.00829 0.00000 160 22 O 1S 0.00051 0.00501 0.00675 0.00640 -0.00806 161 2S 0.03358 -0.00152 -0.02277 0.00866 -0.04023 162 2PX -0.05318 -0.09552 -0.18945 -0.02535 0.09267 163 2PY -0.02601 -0.10269 -0.10304 -0.06966 0.07016 164 2PZ 0.00894 0.10322 0.08250 0.01071 -0.05269 165 3S -0.25039 -0.25315 -0.28643 -0.18803 0.61527 166 3PX 0.04273 0.08568 0.22129 0.10744 -0.24801 167 3PY 0.05042 0.05918 0.07820 0.06090 -0.16548 168 3PZ 0.06207 -0.02944 0.03329 0.01418 -0.09695 169 4XX 0.00802 -0.02370 -0.04356 0.00605 -0.00328 170 4YY 0.00429 0.01188 -0.00048 -0.00066 0.00726 171 4ZZ 0.00239 -0.00409 0.00701 0.00570 -0.02205 172 4XY -0.00575 0.00622 -0.00989 -0.00274 0.02694 173 4XZ -0.01986 -0.01618 -0.02284 -0.00369 0.03066 174 4YZ -0.02323 0.00584 -0.00950 -0.01710 0.04015 175 23 O 1S -0.00051 -0.00501 0.00675 0.00640 0.00806 176 2S -0.03358 0.00152 -0.02277 0.00866 0.04023 177 2PX 0.05318 0.09552 -0.18945 -0.02535 -0.09268 178 2PY -0.02601 -0.10268 0.10304 0.06966 0.07016 179 2PZ -0.00894 -0.10322 0.08250 0.01071 0.05270 180 3S 0.25039 0.25315 -0.28643 -0.18803 -0.61527 181 3PX -0.04273 -0.08568 0.22129 0.10744 0.24801 182 3PY 0.05043 0.05917 -0.07821 -0.06090 -0.16549 183 3PZ -0.06206 0.02944 0.03329 0.01418 0.09694 184 4XX -0.00802 0.02370 -0.04356 0.00605 0.00328 185 4YY -0.00429 -0.01188 -0.00048 -0.00066 -0.00726 186 4ZZ -0.00240 0.00409 0.00701 0.00571 0.02205 187 4XY -0.00576 0.00622 0.00989 0.00274 0.02694 188 4XZ 0.01986 0.01618 -0.02284 -0.00369 -0.03066 189 4YZ -0.02323 0.00583 0.00950 0.01710 0.04015 86 87 88 89 90 V V V V V Eigenvalues -- 0.75190 0.77536 0.79574 0.79877 0.81071 1 1 C 1S -0.00365 0.00521 -0.00441 -0.01244 -0.00370 2 2S -0.17610 0.08622 0.11668 0.14774 -0.00298 3 2PX -0.41639 -0.21901 0.10504 -0.33530 0.05451 4 2PY -0.22950 0.15290 0.07234 -0.01574 0.06703 5 2PZ -0.27854 -0.08732 -0.02445 0.12342 -0.05971 6 3S 0.19693 -0.49476 0.00105 0.06488 0.16034 7 3PX 0.69243 0.69066 -0.20520 0.06782 -0.08312 8 3PY 0.47344 -0.59505 0.02731 0.41741 -0.08709 9 3PZ 0.77547 0.49078 0.10574 -0.62843 0.13180 10 4XX -0.02387 0.01241 -0.01283 0.01377 0.00265 11 4YY -0.00046 -0.00932 0.02460 0.03469 0.00566 12 4ZZ -0.00088 -0.00541 -0.00010 -0.03135 -0.01210 13 4XY 0.03315 0.02530 -0.01055 0.02774 0.00227 14 4XZ -0.03610 0.00903 0.00063 0.01366 0.00640 15 4YZ 0.01606 0.00938 -0.00111 0.00122 -0.00263 16 2 H 1S -0.07059 -0.02058 0.08796 -0.06263 0.03392 17 2S 0.19748 -0.22028 -0.03813 0.13041 -0.09563 18 3 C 1S 0.02616 0.00436 0.01006 0.00283 0.00895 19 2S -0.18321 -0.00523 0.02152 0.10198 -0.01147 20 2PX 0.00046 -0.01297 0.15216 0.00872 0.07123 21 2PY 0.17750 0.09381 0.07404 0.41297 0.05478 22 2PZ -0.20908 -0.05867 -0.01439 -0.05193 0.00639 23 3S 0.63271 0.79554 -0.00511 -1.19713 0.04455 24 3PX 0.02017 0.23338 -0.20506 -0.73922 -0.09470 25 3PY -0.45079 -0.33677 -0.08840 -0.93609 -0.05500 26 3PZ 0.28730 0.28209 -0.06424 -0.46164 -0.08855 27 4XX 0.01613 0.00731 0.01224 0.02296 -0.00285 28 4YY 0.00610 0.01563 -0.00026 -0.05608 -0.00166 29 4ZZ -0.01693 -0.00735 -0.00271 0.02453 0.01069 30 4XY 0.00135 -0.03610 0.02547 -0.00657 0.01308 31 4XZ 0.03203 0.01443 0.02362 0.01563 0.01707 32 4YZ -0.01577 -0.05232 0.02053 -0.01726 0.01246 33 4 H 1S 0.18825 -0.11639 0.15091 -0.07365 0.09846 34 2S -0.12497 0.15301 -0.24620 -0.49968 -0.18190 35 5 C 1S 0.02616 0.00436 0.01006 -0.00283 0.00895 36 2S -0.18321 -0.00523 0.02152 -0.10198 -0.01147 37 2PX 0.00046 -0.01297 0.15216 -0.00872 0.07123 38 2PY -0.17749 -0.09381 -0.07404 0.41297 -0.05478 39 2PZ -0.20909 -0.05867 -0.01439 0.05194 0.00639 40 3S 0.63272 0.79554 -0.00511 1.19713 0.04455 41 3PX 0.02017 0.23338 -0.20506 0.73922 -0.09470 42 3PY 0.45078 0.33676 0.08841 -0.93611 0.05500 43 3PZ 0.28732 0.28210 -0.06424 0.46161 -0.08855 44 4XX 0.01613 0.00731 0.01224 -0.02296 -0.00285 45 4YY 0.00610 0.01563 -0.00026 0.05608 -0.00166 46 4ZZ -0.01693 -0.00734 -0.00271 -0.02453 0.01069 47 4XY -0.00135 0.03610 -0.02547 -0.00657 -0.01308 48 4XZ 0.03203 0.01443 0.02362 -0.01563 0.01707 49 4YZ 0.01577 0.05232 -0.02053 -0.01725 -0.01246 50 6 H 1S 0.18826 -0.11639 0.15091 0.07365 0.09846 51 2S -0.12497 0.15301 -0.24621 0.49968 -0.18190 52 7 C 1S -0.00365 0.00521 -0.00441 0.01244 -0.00370 53 2S -0.17610 0.08622 0.11668 -0.14774 -0.00298 54 2PX -0.41639 -0.21901 0.10504 0.33530 0.05451 55 2PY 0.22951 -0.15289 -0.07234 -0.01574 -0.06702 56 2PZ -0.27853 -0.08732 -0.02445 -0.12342 -0.05971 57 3S 0.19693 -0.49476 0.00106 -0.06488 0.16034 58 3PX 0.69244 0.69066 -0.20520 -0.06782 -0.08312 59 3PY -0.47347 0.59504 -0.02732 0.41739 0.08709 60 3PZ 0.77545 0.49080 0.10574 0.62845 0.13180 61 4XX -0.02387 0.01241 -0.01283 -0.01377 0.00265 62 4YY -0.00045 -0.00932 0.02460 -0.03469 0.00566 63 4ZZ -0.00088 -0.00542 -0.00010 0.03135 -0.01210 64 4XY -0.03314 -0.02530 0.01055 0.02774 -0.00227 65 4XZ -0.03610 0.00903 0.00063 -0.01366 0.00640 66 4YZ -0.01606 -0.00938 0.00112 0.00121 0.00263 67 8 H 1S -0.07059 -0.02058 0.08796 0.06263 0.03392 68 2S 0.19748 -0.22028 -0.03813 -0.13042 -0.09563 69 9 C 1S -0.01431 -0.00145 0.01023 0.00337 0.00161 70 2S -0.07859 -0.05336 0.08783 -0.05462 0.13045 71 2PX 0.00151 0.01255 -0.00148 -0.02168 0.23539 72 2PY -0.08158 -0.14041 0.03157 0.15122 -0.02877 73 2PZ -0.19749 -0.00079 0.01151 0.04066 -0.00155 74 3S -0.21577 -0.31086 -0.24838 -0.06216 -0.33454 75 3PX 0.06515 -0.22157 0.12722 0.26961 -0.25670 76 3PY 0.03248 0.42754 0.07813 -0.90932 0.14263 77 3PZ 0.70986 0.01467 -0.13317 -0.16214 -0.05212 78 4XX -0.00972 0.01234 0.01486 -0.03258 -0.00051 79 4YY -0.00112 -0.03900 -0.00645 -0.01822 0.00514 80 4ZZ -0.02406 0.00856 0.01125 0.04477 0.01804 81 4XY 0.00158 -0.01418 0.05776 0.01105 0.06495 82 4XZ -0.01089 -0.03288 -0.02159 -0.05817 -0.03927 83 4YZ -0.06527 0.02027 -0.01702 -0.00414 -0.01558 84 10 H 1S -0.04967 0.00852 0.28231 0.21552 0.26245 85 2S -0.31910 -0.06022 -0.05673 -0.23109 -0.26256 86 11 H 1S -0.13397 -0.00809 -0.02897 -0.24520 -0.17432 87 2S -0.19848 0.24924 0.11655 -0.14626 0.40895 88 12 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 89 2S -0.07859 -0.05336 0.08783 0.05463 0.13045 90 2PX 0.00152 0.01255 -0.00148 0.02168 0.23539 91 2PY 0.08159 0.14041 -0.03157 0.15122 0.02876 92 2PZ -0.19748 -0.00079 0.01151 -0.04066 -0.00154 93 3S -0.21577 -0.31086 -0.24838 0.06215 -0.33454 94 3PX 0.06515 -0.22157 0.12722 -0.26960 -0.25671 95 3PY -0.03251 -0.42754 -0.07812 -0.90933 -0.14262 96 3PZ 0.70986 0.01466 -0.13318 0.16210 -0.05213 97 4XX -0.00972 0.01234 0.01486 0.03258 -0.00051 98 4YY -0.00113 -0.03900 -0.00645 0.01822 0.00514 99 4ZZ -0.02406 0.00856 0.01125 -0.04477 0.01804 100 4XY -0.00158 0.01418 -0.05776 0.01105 -0.06495 101 4XZ -0.01089 -0.03287 -0.02159 0.05817 -0.03927 102 4YZ 0.06528 -0.02028 0.01702 -0.00414 0.01558 103 13 H 1S -0.04967 0.00852 0.28231 -0.21552 0.26245 104 2S -0.31910 -0.06022 -0.05673 0.23109 -0.26256 105 14 H 1S -0.13397 -0.00809 -0.02897 0.24520 -0.17432 106 2S -0.19848 0.24924 0.11655 0.14626 0.40895 107 15 C 1S 0.01846 -0.04871 -0.04321 0.00000 -0.00668 108 2S 0.14077 -0.18593 0.30357 0.00000 0.08023 109 2PX -0.00282 -0.23808 0.30686 0.00000 -0.52061 110 2PY 0.00000 -0.00001 0.00000 -0.03512 -0.00001 111 2PZ -0.03260 0.29846 -0.13186 0.00000 0.54410 112 3S -0.29020 0.54546 -0.33315 0.00000 -0.08138 113 3PX -0.17796 1.11621 -0.90256 0.00000 0.97902 114 3PY 0.00000 0.00001 0.00000 0.07330 0.00002 115 3PZ -0.18594 -0.59062 0.07613 0.00000 -1.15779 116 4XX -0.00503 -0.09614 -0.12721 0.00000 0.12257 117 4YY 0.04203 -0.04458 0.11340 0.00000 0.02799 118 4ZZ 0.01960 0.04281 0.01560 0.00000 -0.14221 119 4XY 0.00000 0.00000 0.00000 0.00191 0.00000 120 4XZ -0.01850 0.03491 -0.02843 0.00000 -0.01309 121 4YZ 0.00000 0.00000 0.00000 -0.00208 0.00000 122 16 C 1S 0.00559 0.01482 0.00121 0.00873 -0.00526 123 2S -0.00651 -0.01716 0.27398 -0.08448 0.14427 124 2PX 0.28094 0.13342 0.14392 0.02135 0.03750 125 2PY 0.05704 -0.10272 0.08561 -0.32556 -0.01260 126 2PZ -0.11522 -0.16824 0.21078 -0.30750 0.05134 127 3S -0.21038 -0.44553 -0.11558 0.86626 -0.18032 128 3PX -0.33028 -0.19937 -0.32620 0.36681 -0.11972 129 3PY -0.05345 0.51315 -0.27735 1.44330 0.02879 130 3PZ -0.00367 0.29679 -0.38702 0.97828 -0.01425 131 4XX 0.00319 0.00246 -0.01607 -0.01520 0.01443 132 4YY 0.00801 -0.02456 0.04109 0.05818 0.01680 133 4ZZ -0.02586 0.03922 -0.00116 -0.00836 -0.02627 134 4XY 0.01244 0.03728 -0.04761 -0.00417 -0.00168 135 4XZ -0.03422 0.04486 0.02648 -0.01005 0.01016 136 4YZ -0.04436 0.01521 -0.05743 -0.00394 -0.01679 137 17 C 1S 0.00559 0.01482 0.00121 -0.00873 -0.00526 138 2S -0.00651 -0.01716 0.27398 0.08448 0.14427 139 2PX 0.28094 0.13342 0.14392 -0.02135 0.03750 140 2PY -0.05703 0.10273 -0.08561 -0.32557 0.01260 141 2PZ -0.11522 -0.16824 0.21077 0.30749 0.05134 142 3S -0.21040 -0.44553 -0.11557 -0.86626 -0.18032 143 3PX -0.33029 -0.19937 -0.32620 -0.36681 -0.11972 144 3PY 0.05346 -0.51316 0.27736 1.44334 -0.02879 145 3PZ -0.00368 0.29677 -0.38700 -0.97823 -0.01425 146 4XX 0.00319 0.00246 -0.01607 0.01520 0.01443 147 4YY 0.00801 -0.02456 0.04109 -0.05818 0.01680 148 4ZZ -0.02585 0.03922 -0.00116 0.00836 -0.02627 149 4XY -0.01244 -0.03728 0.04761 -0.00417 0.00168 150 4XZ -0.03422 0.04486 0.02648 0.01005 0.01016 151 4YZ 0.04436 -0.01521 0.05744 -0.00394 0.01679 152 18 H 1S 0.10116 -0.57529 -0.60233 0.00000 0.47704 153 2S 0.15677 -0.46901 1.17530 0.00000 -1.23453 154 19 H 1S -0.17333 0.27518 -0.17709 -0.01099 -0.05898 155 2S 0.20577 0.17701 -0.06812 0.86376 0.13322 156 20 H 1S -0.17333 0.27518 -0.17709 0.01099 -0.05898 157 2S 0.20577 0.17701 -0.06811 -0.86376 0.13322 158 21 H 1S 0.17114 -0.09015 -0.07281 0.00000 -0.56959 159 2S 0.10694 0.21438 -0.18145 0.00000 1.38319 160 22 O 1S -0.00228 -0.00474 0.01091 0.00258 0.00368 161 2S 0.03329 -0.20401 -0.12842 0.00831 -0.03426 162 2PX 0.11621 -0.16474 -0.11460 -0.09442 0.05647 163 2PY -0.05488 0.07713 -0.16281 -0.01583 -0.03951 164 2PZ 0.04613 -0.10424 -0.05925 0.13498 -0.09400 165 3S 0.08749 0.47808 0.21387 0.13069 0.07251 166 3PX -0.14077 -0.04391 0.13156 0.04623 -0.14504 167 3PY 0.01056 -0.00142 0.14884 -0.08605 0.04979 168 3PZ -0.08617 0.10602 0.00518 -0.07981 0.17218 169 4XX 0.02038 -0.04573 0.02149 0.00030 -0.03047 170 4YY -0.00069 -0.05652 -0.09100 0.03292 -0.02238 171 4ZZ 0.01124 -0.08585 -0.03367 -0.01159 0.03293 172 4XY -0.01726 0.00915 -0.03646 0.03032 0.03029 173 4XZ 0.02293 -0.01171 0.05257 0.01333 0.01924 174 4YZ 0.00363 0.03768 -0.00779 0.00412 -0.03298 175 23 O 1S -0.00228 -0.00474 0.01091 -0.00258 0.00368 176 2S 0.03329 -0.20401 -0.12842 -0.00831 -0.03427 177 2PX 0.11621 -0.16474 -0.11460 0.09442 0.05647 178 2PY 0.05487 -0.07713 0.16282 -0.01583 0.03951 179 2PZ 0.04613 -0.10425 -0.05924 -0.13498 -0.09399 180 3S 0.08748 0.47808 0.21388 -0.13069 0.07251 181 3PX -0.14076 -0.04391 0.13156 -0.04623 -0.14504 182 3PY -0.01056 0.00142 -0.14884 -0.08605 -0.04980 183 3PZ -0.08617 0.10602 0.00518 0.07981 0.17218 184 4XX 0.02038 -0.04573 0.02149 -0.00029 -0.03047 185 4YY -0.00069 -0.05652 -0.09100 -0.03292 -0.02238 186 4ZZ 0.01124 -0.08586 -0.03367 0.01159 0.03293 187 4XY 0.01726 -0.00915 0.03645 0.03032 -0.03029 188 4XZ 0.02293 -0.01171 0.05257 -0.01333 0.01923 189 4YZ -0.00363 -0.03768 0.00779 0.00412 0.03298 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84210 0.85443 0.86451 0.88060 1 1 C 1S 0.00195 0.00720 -0.00750 0.00083 0.00290 2 2S -0.10212 0.10685 0.08918 -0.16346 0.10419 3 2PX 0.12934 -0.06491 -0.00980 0.08898 0.07353 4 2PY -0.17554 -0.05024 -0.00849 -0.09099 0.05730 5 2PZ -0.30210 0.03918 0.01409 -0.21702 -0.02450 6 3S 1.31977 -0.35500 -0.73769 0.80237 -0.42177 7 3PX -0.67112 -0.13443 0.15284 0.31735 0.01956 8 3PY 0.65036 0.02331 -0.58093 0.31081 -0.33022 9 3PZ 1.45852 -0.65508 -0.10377 0.98700 -0.13561 10 4XX 0.02344 -0.03788 0.02421 0.01861 -0.00872 11 4YY -0.02317 0.00520 -0.06659 -0.02640 0.01663 12 4ZZ 0.02705 0.05429 0.03689 -0.00012 -0.00774 13 4XY 0.02865 -0.01257 0.03634 0.01204 0.01120 14 4XZ 0.02592 -0.01193 -0.00299 0.00971 0.01889 15 4YZ 0.00489 -0.00139 0.02488 -0.01343 0.01344 16 2 H 1S -0.12857 -0.00648 -0.09359 -0.03796 0.09064 17 2S 0.41167 0.07201 0.04032 0.16129 -0.21891 18 3 C 1S -0.01251 0.00743 -0.02295 0.00878 -0.01514 19 2S 0.12978 -0.05240 0.05662 -0.18448 0.32588 20 2PX -0.04674 -0.08924 -0.20725 0.12049 -0.21610 21 2PY 0.15766 -0.05226 -0.41082 -0.00780 -0.21223 22 2PZ 0.15129 -0.08413 -0.50883 0.14682 -0.31994 23 3S -0.51808 -0.45091 1.39789 0.44346 -0.68970 24 3PX 0.14521 0.06092 1.00451 -0.16128 0.50377 25 3PY -0.33206 0.38333 1.91093 -0.43841 0.43517 26 3PZ -0.87743 0.24498 1.78147 -0.55097 0.66168 27 4XX 0.01216 0.01699 -0.00079 -0.01958 0.00477 28 4YY -0.01565 -0.02274 0.07392 -0.00897 0.02092 29 4ZZ -0.00371 -0.00331 -0.02507 -0.00450 0.02014 30 4XY -0.00724 -0.01075 -0.02289 0.00058 -0.06035 31 4XZ -0.01641 0.01267 -0.02857 -0.00401 -0.02714 32 4YZ -0.01604 0.04154 -0.02385 0.00125 -0.04446 33 4 H 1S -0.02198 0.18748 -0.33068 0.12651 -0.30965 34 2S -0.20985 0.14411 1.68739 -0.54996 1.02873 35 5 C 1S 0.01251 0.00743 0.02295 -0.00878 -0.01514 36 2S -0.12978 -0.05240 -0.05662 0.18448 0.32588 37 2PX 0.04674 -0.08924 0.20725 -0.12049 -0.21610 38 2PY 0.15766 0.05227 -0.41084 -0.00779 0.21224 39 2PZ -0.15128 -0.08413 0.50881 -0.14682 -0.31994 40 3S 0.51808 -0.45092 -1.39789 -0.44346 -0.68970 41 3PX -0.14521 0.06092 -1.00451 0.16128 0.50377 42 3PY -0.33210 -0.38334 1.91100 -0.43843 -0.43519 43 3PZ 0.87742 0.24497 -1.78139 0.55095 0.66166 44 4XX -0.01216 0.01699 0.00079 0.01958 0.00477 45 4YY 0.01565 -0.02274 -0.07392 0.00897 0.02092 46 4ZZ 0.00370 -0.00331 0.02507 0.00450 0.02014 47 4XY -0.00724 0.01075 -0.02289 0.00058 0.06035 48 4XZ 0.01641 0.01267 0.02857 0.00401 -0.02713 49 4YZ -0.01604 -0.04154 -0.02386 0.00125 0.04446 50 6 H 1S 0.02198 0.18748 0.33068 -0.12651 -0.30965 51 2S 0.20985 0.14411 -1.68739 0.54995 1.02873 52 7 C 1S -0.00195 0.00720 0.00750 -0.00083 0.00290 53 2S 0.10212 0.10685 -0.08918 0.16346 0.10419 54 2PX -0.12934 -0.06491 0.00980 -0.08898 0.07353 55 2PY -0.17556 0.05024 -0.00849 -0.09099 -0.05731 56 2PZ 0.30209 0.03918 -0.01409 0.21702 -0.02450 57 3S -1.31977 -0.35501 0.73770 -0.80236 -0.42177 58 3PX 0.67112 -0.13443 -0.15284 -0.31735 0.01957 59 3PY 0.65042 -0.02328 -0.58093 0.31085 0.33024 60 3PZ -1.45849 -0.65509 0.10375 -0.98699 -0.13559 61 4XX -0.02344 -0.03788 -0.02421 -0.01861 -0.00872 62 4YY 0.02317 0.00520 0.06659 0.02640 0.01664 63 4ZZ -0.02705 0.05429 -0.03689 0.00012 -0.00775 64 4XY 0.02866 0.01257 0.03634 0.01204 -0.01120 65 4XZ -0.02592 -0.01193 0.00300 -0.00971 0.01888 66 4YZ 0.00490 0.00139 0.02489 -0.01343 -0.01344 67 8 H 1S 0.12857 -0.00648 0.09359 0.03796 0.09064 68 2S -0.41167 0.07200 -0.04032 -0.16129 -0.21893 69 9 C 1S -0.00423 -0.02740 0.01106 0.00278 0.00149 70 2S 0.03663 0.15840 -0.09056 -0.01924 -0.21342 71 2PX -0.44425 0.14808 -0.10360 0.52802 0.14492 72 2PY -0.27030 -0.00849 -0.08188 -0.16913 0.08279 73 2PZ -0.19331 -0.03846 -0.05197 -0.28769 -0.07681 74 3S -0.28391 0.53396 0.55449 -0.23709 0.68665 75 3PX 1.76157 -0.16809 0.19830 -1.46081 -0.23047 76 3PY 1.12576 -0.41195 0.23521 0.90727 -0.27290 77 3PZ 1.14778 0.00271 0.22322 1.26000 0.15461 78 4XX -0.01210 -0.05665 0.00739 -0.00069 -0.03145 79 4YY 0.02300 0.07265 0.00057 0.01253 -0.01314 80 4ZZ -0.01968 0.00385 0.00271 -0.01610 0.02264 81 4XY -0.00128 0.00803 -0.00340 0.01744 0.00910 82 4XZ -0.03415 0.05673 0.02080 -0.05666 0.00050 83 4YZ -0.00515 0.03142 0.00385 -0.00881 -0.02758 84 10 H 1S -0.04181 -0.34973 -0.07776 0.18908 0.05092 85 2S 0.37846 0.12310 0.04885 -1.11151 -0.40924 86 11 H 1S -0.04818 -0.26726 0.07576 -0.13743 -0.10324 87 2S -0.75552 -0.00789 -0.29974 0.96007 0.01260 88 12 C 1S 0.00423 -0.02740 -0.01106 -0.00278 0.00149 89 2S -0.03663 0.15840 0.09056 0.01924 -0.21342 90 2PX 0.44425 0.14808 0.10360 -0.52803 0.14492 91 2PY -0.27030 0.00849 -0.08188 -0.16914 -0.08279 92 2PZ 0.19330 -0.03846 0.05196 0.28768 -0.07682 93 3S 0.28391 0.53396 -0.55449 0.23708 0.68665 94 3PX -1.76156 -0.16809 -0.19830 1.46081 -0.23046 95 3PY 1.12580 0.41196 0.23521 0.90732 0.27290 96 3PZ -1.14774 0.00272 -0.22321 -1.25996 0.15463 97 4XX 0.01210 -0.05665 -0.00739 0.00069 -0.03145 98 4YY -0.02300 0.07265 -0.00057 -0.01253 -0.01314 99 4ZZ 0.01968 0.00385 -0.00271 0.01610 0.02265 100 4XY -0.00129 -0.00803 -0.00340 0.01744 -0.00910 101 4XZ 0.03415 0.05673 -0.02080 0.05666 0.00050 102 4YZ -0.00515 -0.03142 0.00385 -0.00882 0.02758 103 13 H 1S 0.04181 -0.34973 0.07776 -0.18908 0.05092 104 2S -0.37845 0.12310 -0.04885 1.11151 -0.40924 105 14 H 1S 0.04818 -0.26726 -0.07576 0.13743 -0.10324 106 2S 0.75552 -0.00790 0.29974 -0.96007 0.01259 107 15 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 108 2S 0.00000 -0.59689 0.00000 0.00000 -0.09430 109 2PX 0.00000 0.17547 0.00000 0.00000 -0.01069 110 2PY 0.01727 0.00000 0.01735 -0.05023 0.00000 111 2PZ 0.00000 -0.18814 0.00000 0.00000 -0.07998 112 3S 0.00000 1.37942 0.00000 0.00000 0.36075 113 3PX 0.00000 -0.66899 0.00000 0.00000 -0.14454 114 3PY -0.02805 -0.00001 -0.07676 0.08532 0.00000 115 3PZ 0.00000 0.38094 0.00000 0.00000 -0.06961 116 4XX 0.00000 0.03393 0.00000 0.00000 0.00608 117 4YY 0.00000 -0.03071 0.00000 0.00000 0.02724 118 4ZZ 0.00000 -0.08760 0.00000 0.00000 -0.00015 119 4XY -0.00196 0.00000 -0.00514 0.02282 0.00000 120 4XZ 0.00000 0.00033 0.00000 0.00000 -0.04137 121 4YZ 0.01319 0.00000 0.00650 0.01570 0.00000 122 16 C 1S -0.00555 0.01307 -0.00609 -0.01815 -0.01109 123 2S 0.01063 -0.08951 0.07042 0.16381 0.50895 124 2PX 0.16012 0.04955 -0.02520 -0.00043 -0.05706 125 2PY 0.21289 0.00316 -0.25661 -0.16926 -0.25844 126 2PZ -0.22359 0.06606 -0.29149 -0.28227 -0.26226 127 3S -0.49638 0.22656 0.51321 0.15114 -1.11541 128 3PX -0.46911 -0.01272 0.26977 0.03935 0.20849 129 3PY -0.67146 -0.03884 1.14474 0.74912 0.63955 130 3PZ 0.70241 -0.11030 1.05179 0.96400 0.66045 131 4XX -0.00820 0.04416 0.01359 0.03290 0.03619 132 4YY -0.03560 -0.02122 0.04282 0.02817 0.02243 133 4ZZ 0.02529 0.01327 -0.01394 -0.03296 0.01205 134 4XY -0.00251 -0.00437 -0.00559 -0.00750 -0.06122 135 4XZ 0.00362 0.06527 -0.00795 -0.00123 -0.00484 136 4YZ 0.01167 0.03941 -0.01749 -0.02244 -0.06396 137 17 C 1S 0.00555 0.01307 0.00609 0.01815 -0.01109 138 2S -0.01063 -0.08951 -0.07042 -0.16381 0.50894 139 2PX -0.16012 0.04955 0.02520 0.00043 -0.05706 140 2PY 0.21288 -0.00316 -0.25662 -0.16927 0.25845 141 2PZ 0.22360 0.06606 0.29148 0.28226 -0.26225 142 3S 0.49638 0.22656 -0.51320 -0.15114 -1.11541 143 3PX 0.46912 -0.01272 -0.26976 -0.03935 0.20849 144 3PY -0.67143 0.03885 1.14478 0.74916 -0.63957 145 3PZ -0.70243 -0.11031 -1.05175 -0.96397 0.66043 146 4XX 0.00820 0.04416 -0.01359 -0.03290 0.03619 147 4YY 0.03560 -0.02121 -0.04281 -0.02817 0.02242 148 4ZZ -0.02529 0.01327 0.01394 0.03295 0.01206 149 4XY -0.00251 0.00436 -0.00559 -0.00750 0.06122 150 4XZ -0.00362 0.06527 0.00795 0.00123 -0.00484 151 4YZ 0.01167 -0.03942 -0.01749 -0.02244 0.06396 152 18 H 1S 0.00000 0.03575 0.00000 0.00000 0.07715 153 2S 0.00000 -0.04219 0.00000 0.00000 -0.07141 154 19 H 1S 0.08090 0.10598 -0.17412 -0.29646 -0.25887 155 2S 0.10135 -0.29767 1.03404 1.01008 1.13660 156 20 H 1S -0.08090 0.10598 0.17412 0.29646 -0.25887 157 2S -0.10135 -0.29768 -1.03404 -1.01008 1.13660 158 21 H 1S 0.00000 -0.26640 0.00000 0.00000 0.15199 159 2S 0.00000 -0.39439 0.00000 0.00000 -0.15690 160 22 O 1S -0.00236 0.00789 -0.00258 -0.00554 0.01246 161 2S 0.06277 -0.25679 -0.07324 -0.04121 0.02688 162 2PX -0.06071 -0.11460 0.02358 0.03451 -0.04238 163 2PY 0.04014 -0.16501 -0.01472 0.06044 -0.12145 164 2PZ 0.06623 -0.17196 -0.01511 -0.05707 0.02552 165 3S -0.00310 0.07251 0.34701 0.21150 -0.26353 166 3PX -0.04193 0.21798 -0.09158 -0.12895 0.10914 167 3PY -0.00230 0.33388 -0.07967 -0.14763 0.35102 168 3PZ 0.01079 0.08133 0.06612 0.10990 -0.06769 169 4XX 0.02113 -0.09697 -0.02555 0.00553 0.02678 170 4YY 0.00190 -0.08520 -0.00192 -0.01517 -0.03011 171 4ZZ 0.02919 -0.06049 -0.03116 -0.02672 0.02923 172 4XY -0.00180 0.04625 0.02085 0.02517 -0.00424 173 4XZ 0.01734 -0.02514 -0.00442 -0.02154 0.01476 174 4YZ -0.00595 0.01657 0.00430 0.00000 -0.01256 175 23 O 1S 0.00236 0.00789 0.00258 0.00554 0.01246 176 2S -0.06277 -0.25679 0.07324 0.04121 0.02688 177 2PX 0.06071 -0.11460 -0.02358 -0.03451 -0.04238 178 2PY 0.04014 0.16502 -0.01472 0.06043 0.12145 179 2PZ -0.06623 -0.17195 0.01511 0.05708 0.02553 180 3S 0.00310 0.07251 -0.34701 -0.21150 -0.26353 181 3PX 0.04193 0.21798 0.09158 0.12895 0.10914 182 3PY -0.00230 -0.33388 -0.07966 -0.14762 -0.35101 183 3PZ -0.01079 0.08132 -0.06612 -0.10991 -0.06770 184 4XX -0.02113 -0.09697 0.02555 -0.00552 0.02678 185 4YY -0.00190 -0.08520 0.00192 0.01517 -0.03011 186 4ZZ -0.02919 -0.06049 0.03116 0.02672 0.02923 187 4XY -0.00180 -0.04625 0.02085 0.02517 0.00424 188 4XZ -0.01734 -0.02515 0.00442 0.02154 0.01476 189 4YZ -0.00595 -0.01657 0.00429 0.00000 0.01256 96 97 98 99 100 V V V V V Eigenvalues -- 0.88445 0.88520 0.88709 0.89806 0.91385 1 1 C 1S 0.00206 -0.02135 0.02361 0.01639 0.00615 2 2S -0.17399 0.37339 -0.21052 -0.23064 -0.11129 3 2PX -0.05504 0.12770 0.11755 -0.05373 0.01994 4 2PY 0.20874 -0.61757 0.14225 0.23606 0.26364 5 2PZ -0.04364 0.12009 0.21375 0.06382 -0.02677 6 3S -0.05988 0.00998 1.22511 0.36655 0.31455 7 3PX 0.17938 -0.88176 -0.94844 -0.23002 0.03646 8 3PY -0.71230 1.86294 -0.13666 -0.79221 -0.44639 9 3PZ 0.05883 -0.93792 -1.13511 -0.41128 0.33608 10 4XX -0.02044 0.06445 -0.01697 -0.05983 -0.03332 11 4YY 0.00911 -0.07701 0.04753 0.01931 0.04421 12 4ZZ -0.02910 0.06043 -0.02159 0.01071 -0.02962 13 4XY 0.00815 -0.03106 -0.04839 -0.01337 0.00579 14 4XZ -0.02291 0.02799 0.00813 -0.03228 -0.00730 15 4YZ 0.03284 -0.05422 -0.02205 -0.00045 0.01770 16 2 H 1S 0.13046 -0.39996 0.18835 0.23014 0.27825 17 2S -0.57854 1.60538 -0.50228 -0.77217 -0.58643 18 3 C 1S -0.01246 -0.00115 0.00703 -0.00839 -0.00500 19 2S -0.10049 0.10245 -0.11913 0.22247 -0.10246 20 2PX -0.22045 0.18627 0.33438 -0.08951 0.06201 21 2PY -0.10668 -0.10926 -0.16589 -0.19091 0.06352 22 2PZ -0.25767 0.20285 0.27853 -0.25474 -0.00495 23 3S 0.10804 -1.06326 0.04565 -0.90042 0.46186 24 3PX 0.58497 -1.30094 -1.38362 0.31164 0.05061 25 3PY 0.27997 0.62027 1.08440 0.73554 -0.14693 26 3PZ 0.63847 -1.23312 -1.13698 0.67324 0.08964 27 4XX -0.00075 -0.02077 -0.02333 0.04777 0.01913 28 4YY -0.02572 0.02136 0.01024 -0.00918 -0.01482 29 4ZZ 0.02259 -0.02081 -0.01907 -0.00777 -0.02187 30 4XY -0.03478 -0.00796 0.03024 -0.00217 0.02178 31 4XZ -0.02787 -0.03835 -0.00104 -0.00086 0.00503 32 4YZ -0.03859 -0.00378 0.02881 0.00365 -0.01501 33 4 H 1S -0.17060 0.02100 0.15786 0.01110 0.02030 34 2S 0.72503 -0.47318 -0.73563 0.78915 -0.07414 35 5 C 1S -0.01246 0.00115 -0.00703 -0.00839 -0.00500 36 2S -0.10048 -0.10246 0.11913 0.22247 -0.10246 37 2PX -0.22044 -0.18628 -0.33439 -0.08951 0.06201 38 2PY 0.10670 -0.10924 -0.16587 0.19092 -0.06352 39 2PZ -0.25765 -0.20287 -0.27854 -0.25473 -0.00495 40 3S 0.10797 1.06328 -0.04565 -0.90042 0.46186 41 3PX 0.58487 1.30098 1.38363 0.31164 0.05061 42 3PY -0.28005 0.62020 1.08435 -0.73556 0.14693 43 3PZ 0.63837 1.23319 1.13703 0.67321 0.08965 44 4XX -0.00075 0.02077 0.02333 0.04777 0.01913 45 4YY -0.02572 -0.02137 -0.01024 -0.00918 -0.01482 46 4ZZ 0.02259 0.02081 0.01908 -0.00777 -0.02187 47 4XY 0.03478 -0.00796 0.03024 0.00217 -0.02178 48 4XZ -0.02787 0.03834 0.00104 -0.00086 0.00503 49 4YZ 0.03859 -0.00378 0.02881 -0.00365 0.01501 50 6 H 1S -0.17060 -0.02101 -0.15786 0.01110 0.02030 51 2S 0.72499 0.47322 0.73563 0.78915 -0.07414 52 7 C 1S 0.00206 0.02135 -0.02361 0.01639 0.00615 53 2S -0.17397 -0.37340 0.21051 -0.23064 -0.11129 54 2PX -0.05503 -0.12771 -0.11755 -0.05373 0.01994 55 2PY -0.20870 -0.61758 0.14225 -0.23606 -0.26364 56 2PZ -0.04364 -0.12012 -0.21375 0.06381 -0.02678 57 3S -0.05986 -0.00998 -1.22511 0.36655 0.31455 58 3PX 0.17931 0.88177 0.94844 -0.23002 0.03646 59 3PY 0.71217 1.86295 -0.13670 0.79222 0.44637 60 3PZ 0.05878 0.93800 1.13510 -0.41124 0.33610 61 4XX -0.02044 -0.06445 0.01697 -0.05983 -0.03332 62 4YY 0.00911 0.07701 -0.04753 0.01931 0.04421 63 4ZZ -0.02910 -0.06043 0.02158 0.01071 -0.02962 64 4XY -0.00814 -0.03106 -0.04839 0.01337 -0.00579 65 4XZ -0.02291 -0.02799 -0.00813 -0.03227 -0.00730 66 4YZ -0.03283 -0.05421 -0.02205 0.00045 -0.01769 67 8 H 1S 0.13043 0.39997 -0.18835 0.23014 0.27825 68 2S -0.57843 -1.60541 0.50228 -0.77218 -0.58643 69 9 C 1S -0.00449 -0.00103 0.00613 -0.00794 0.01277 70 2S -0.25368 0.11022 -0.07382 0.11592 0.04831 71 2PX 0.16332 0.01704 -0.31220 -0.45792 -0.26018 72 2PY 0.05511 0.04202 0.17690 0.02626 0.05499 73 2PZ -0.21163 0.24043 0.06636 0.10709 -0.08727 74 3S 0.66176 -0.52286 0.30491 0.28221 -0.28358 75 3PX -0.12411 -0.05501 0.62313 0.85900 0.44119 76 3PY -0.09554 -0.60871 -0.91143 -0.16129 0.14830 77 3PZ 0.23887 -0.89480 -0.51287 -0.35130 0.06877 78 4XX -0.02814 0.01881 0.02323 0.00424 0.02409 79 4YY -0.04045 0.00673 -0.01680 0.03688 -0.02473 80 4ZZ 0.01962 -0.02096 -0.00675 -0.01728 0.01588 81 4XY 0.06970 0.01142 -0.01404 -0.01028 -0.01561 82 4XZ -0.01368 -0.01004 0.03610 0.07607 0.01082 83 4YZ -0.05893 0.04880 -0.00004 -0.00324 -0.02986 84 10 H 1S 0.31816 -0.01582 -0.13438 -0.28655 0.11514 85 2S -0.63573 0.36940 0.35597 0.78223 0.15323 86 11 H 1S -0.21858 0.04633 0.24284 0.08353 0.20424 87 2S 0.08731 0.21216 -0.70970 -0.71842 -0.26863 88 12 C 1S -0.00449 0.00103 -0.00613 -0.00794 0.01277 89 2S -0.25368 -0.11023 0.07381 0.11592 0.04831 90 2PX 0.16332 -0.01702 0.31220 -0.45792 -0.26018 91 2PY -0.05510 0.04203 0.17690 -0.02626 -0.05498 92 2PZ -0.21162 -0.24044 -0.06635 0.10709 -0.08727 93 3S 0.66173 0.52290 -0.30490 0.28221 -0.28358 94 3PX -0.12411 0.05500 -0.62313 0.85900 0.44119 95 3PY 0.09558 -0.60874 -0.91144 0.16130 -0.14830 96 3PZ 0.23881 0.89479 0.51284 -0.35129 0.06877 97 4XX -0.02814 -0.01882 -0.02323 0.00424 0.02409 98 4YY -0.04046 -0.00673 0.01680 0.03688 -0.02473 99 4ZZ 0.01962 0.02096 0.00675 -0.01727 0.01588 100 4XY -0.06970 0.01142 -0.01403 0.01028 0.01561 101 4XZ -0.01369 0.01004 -0.03610 0.07607 0.01082 102 4YZ 0.05892 0.04881 -0.00004 0.00324 0.02986 103 13 H 1S 0.31816 0.01585 0.13438 -0.28655 0.11514 104 2S -0.63570 -0.36944 -0.35598 0.78223 0.15323 105 14 H 1S -0.21858 -0.04634 -0.24284 0.08353 0.20424 106 2S 0.08731 -0.21215 0.70970 -0.71842 -0.26863 107 15 C 1S -0.00137 0.00000 0.00000 -0.01681 0.00577 108 2S 0.11503 0.00000 0.00000 0.34441 -0.95893 109 2PX 0.15854 0.00001 0.00000 -0.02500 -0.45035 110 2PY 0.00000 0.01367 0.05813 -0.00001 0.00000 111 2PZ -0.09567 0.00000 0.00000 0.31330 -0.25015 112 3S -0.37859 -0.00001 0.00000 -0.90193 2.60469 113 3PX -0.29852 -0.00001 0.00000 0.21151 0.67190 114 3PY -0.00001 0.00317 -0.18112 0.00001 0.00000 115 3PZ 0.50221 0.00002 0.00000 -0.63952 0.15571 116 4XX 0.00013 0.00000 0.00000 0.01002 -0.01699 117 4YY -0.02863 0.00000 0.00000 0.05319 -0.06143 118 4ZZ 0.02662 0.00000 0.00000 -0.06109 0.01458 119 4XY 0.00000 0.00196 -0.01273 0.00000 0.00000 120 4XZ 0.04069 0.00000 0.00000 0.00322 -0.00553 121 4YZ 0.00000 -0.01885 0.01641 0.00000 0.00000 122 16 C 1S 0.00219 0.00502 -0.00752 0.00499 0.00011 123 2S -0.38606 0.08280 0.25012 -0.04365 -0.02172 124 2PX -0.07944 -0.03176 0.00784 0.06989 0.09928 125 2PY 0.17632 -0.06637 -0.09108 0.09677 0.06932 126 2PZ 0.28379 0.02272 -0.37528 -0.00116 0.07430 127 3S 0.95098 -0.40509 -0.66148 0.07900 0.08802 128 3PX 0.03046 0.06369 0.00006 -0.17656 -0.23620 129 3PY -0.45446 -0.18171 0.25455 -0.22486 -0.08137 130 3PZ -0.50565 -0.12293 1.04782 -0.11533 -0.15151 131 4XX -0.02976 0.00458 0.03131 -0.00712 -0.01459 132 4YY -0.01574 0.00211 0.01786 0.01744 0.00752 133 4ZZ -0.01386 -0.00098 -0.01030 -0.02251 0.00087 134 4XY 0.04674 -0.00609 -0.00208 0.00817 0.01543 135 4XZ 0.02047 -0.00503 -0.01020 -0.02420 0.03472 136 4YZ 0.06429 0.00490 -0.02106 -0.02715 -0.00865 137 17 C 1S 0.00219 -0.00502 0.00752 0.00499 0.00011 138 2S -0.38605 -0.08283 -0.25012 -0.04365 -0.02172 139 2PX -0.07944 0.03175 -0.00784 0.06989 0.09928 140 2PY -0.17632 -0.06638 -0.09109 -0.09677 -0.06932 141 2PZ 0.28378 -0.02270 0.37528 -0.00117 0.07429 142 3S 0.95094 0.40516 0.66148 0.07900 0.08802 143 3PX 0.03046 -0.06369 -0.00006 -0.17656 -0.23620 144 3PY 0.45449 -0.18168 0.25459 0.22487 0.08137 145 3PZ -0.50563 0.12288 -1.04782 -0.11532 -0.15151 146 4XX -0.02976 -0.00459 -0.03131 -0.00712 -0.01459 147 4YY -0.01573 -0.00211 -0.01786 0.01744 0.00752 148 4ZZ -0.01387 0.00098 0.01030 -0.02251 0.00088 149 4XY -0.04674 -0.00610 -0.00208 -0.00817 -0.01544 150 4XZ 0.02047 0.00504 0.01020 -0.02420 0.03472 151 4YZ -0.06429 0.00489 -0.02106 0.02715 0.00865 152 18 H 1S -0.05167 0.00000 0.00000 -0.12113 0.34703 153 2S 0.41077 0.00001 0.00000 0.03815 -1.26434 154 19 H 1S 0.24846 -0.00892 -0.27864 -0.07545 -0.00253 155 2S -0.91986 -0.04278 0.95949 -0.06876 -0.14604 156 20 H 1S 0.24845 0.00893 0.27864 -0.07545 -0.00253 157 2S -0.91985 0.04270 -0.95949 -0.06876 -0.14604 158 21 H 1S -0.00466 0.00000 0.00000 -0.39981 0.39559 159 2S -0.32204 -0.00001 0.00000 1.09909 -0.93597 160 22 O 1S -0.00683 0.00094 -0.00074 -0.00210 -0.00073 161 2S 0.00169 -0.05292 -0.03019 0.01557 -0.14973 162 2PX 0.03414 -0.01028 0.04328 0.03438 0.00863 163 2PY 0.08589 -0.05059 0.00108 0.07889 -0.21774 164 2PZ -0.00083 0.01227 -0.07996 0.00868 0.02336 165 3S 0.09084 0.03892 0.20300 0.10010 0.12751 166 3PX 0.00569 0.02931 -0.07826 -0.10978 -0.15101 167 3PY -0.23133 0.08948 -0.01153 -0.19057 0.31803 168 3PZ 0.02332 -0.02387 0.18138 0.02398 -0.09459 169 4XX -0.01634 -0.00976 -0.01004 0.01979 -0.04623 170 4YY 0.04395 -0.01018 0.00336 -0.01387 -0.03787 171 4ZZ -0.02345 -0.02936 -0.01242 0.02529 -0.07805 172 4XY 0.00022 -0.00688 0.01241 -0.01127 0.02717 173 4XZ -0.01924 -0.00929 -0.00564 0.01334 -0.01234 174 4YZ 0.01462 0.00506 0.00059 -0.02857 0.02711 175 23 O 1S -0.00683 -0.00094 0.00074 -0.00210 -0.00073 176 2S 0.00169 0.05292 0.03019 0.01557 -0.14973 177 2PX 0.03414 0.01029 -0.04328 0.03438 0.00863 178 2PY -0.08589 -0.05059 0.00107 -0.07889 0.21774 179 2PZ -0.00083 -0.01227 0.07996 0.00868 0.02337 180 3S 0.09084 -0.03891 -0.20300 0.10010 0.12751 181 3PX 0.00569 -0.02931 0.07826 -0.10978 -0.15100 182 3PY 0.23133 0.08950 -0.01152 0.19057 -0.31803 183 3PZ 0.02333 0.02388 -0.18138 0.02399 -0.09460 184 4XX -0.01634 0.00976 0.01004 0.01979 -0.04623 185 4YY 0.04395 0.01018 -0.00336 -0.01387 -0.03787 186 4ZZ -0.02345 0.02936 0.01242 0.02530 -0.07806 187 4XY -0.00022 -0.00688 0.01241 0.01127 -0.02717 188 4XZ -0.01924 0.00929 0.00564 0.01334 -0.01234 189 4YZ -0.01461 0.00506 0.00059 0.02857 -0.02711 101 102 103 104 105 V V V V V Eigenvalues -- 0.93716 0.94030 0.95123 1.00793 1.01440 1 1 C 1S -0.00660 -0.00251 0.01119 -0.00773 0.00070 2 2S -0.19126 -0.44875 -0.08950 -0.43180 -0.03880 3 2PX -0.19680 0.04229 0.30456 -0.04065 -0.10220 4 2PY 0.04377 0.38617 0.15196 0.08627 0.05158 5 2PZ -0.10029 0.01493 0.18352 0.09761 -0.04419 6 3S 0.45002 1.17937 1.33046 2.11470 -0.29279 7 3PX 0.90172 -0.28339 -1.62842 -0.82998 0.60060 8 3PY -0.21414 -0.81390 -0.13493 -0.22264 0.44532 9 3PZ 0.83536 -0.55070 -1.55450 -0.50012 0.59673 10 4XX -0.03643 -0.04931 -0.00151 0.04644 -0.04190 11 4YY -0.04184 0.00234 0.02674 -0.08329 0.09365 12 4ZZ 0.04564 -0.02311 -0.00242 0.00309 -0.06585 13 4XY -0.00981 -0.02777 0.01679 0.05919 0.03021 14 4XZ -0.02713 -0.01992 0.07267 0.00968 0.02953 15 4YZ 0.01716 -0.00138 -0.01103 -0.04281 0.04314 16 2 H 1S -0.02889 0.19362 0.14243 -0.13036 0.39256 17 2S -0.14807 -0.96788 -0.38187 -0.15617 -0.14085 18 3 C 1S 0.00093 0.00626 -0.00337 -0.01326 -0.01530 19 2S -0.33659 -0.25520 0.25452 -0.46599 -0.49413 20 2PX 0.00598 0.10588 0.04303 0.12728 -0.10291 21 2PY 0.06951 0.08045 -0.27274 -0.27570 0.19422 22 2PZ 0.04207 0.18671 0.06744 0.14921 0.07545 23 3S 1.22565 0.00970 -0.85500 1.85090 1.66994 24 3PX 0.12589 -0.23181 -0.91471 -1.13486 0.08690 25 3PY -0.46919 0.26401 2.07326 2.34357 -0.98541 26 3PZ 0.05998 -0.30543 -0.84477 -1.23821 -0.24928 27 4XX -0.00622 -0.01928 -0.00076 -0.02105 -0.01981 28 4YY -0.01670 -0.04811 0.03744 0.02622 -0.02320 29 4ZZ -0.02343 0.03337 -0.01378 -0.06151 -0.02409 30 4XY -0.01124 0.02313 0.01310 -0.00547 0.00861 31 4XZ 0.00245 0.03608 -0.03191 -0.06790 -0.02812 32 4YZ -0.00737 0.08449 0.01241 -0.03104 -0.05309 33 4 H 1S 0.03554 0.32954 -0.13423 -0.22530 -0.25391 34 2S -0.32556 -0.57765 0.29793 -0.22918 -0.46372 35 5 C 1S -0.00093 0.00626 0.00337 0.01326 -0.01530 36 2S 0.33659 -0.25520 -0.25452 0.46599 -0.49413 37 2PX -0.00598 0.10588 -0.04303 -0.12728 -0.10291 38 2PY 0.06951 -0.08046 -0.27273 -0.27569 -0.19422 39 2PZ -0.04207 0.18671 -0.06745 -0.14922 0.07544 40 3S -1.22565 0.00970 0.85500 -1.85091 1.66994 41 3PX -0.12589 -0.23181 0.91471 1.13486 0.08690 42 3PY -0.46919 -0.26401 2.07322 2.34352 0.98541 43 3PZ -0.06000 -0.30545 0.84485 1.23830 -0.24924 44 4XX 0.00622 -0.01928 0.00076 0.02105 -0.01981 45 4YY 0.01670 -0.04810 -0.03744 -0.02621 -0.02320 46 4ZZ 0.02343 0.03336 0.01378 0.06151 -0.02409 47 4XY -0.01124 -0.02313 0.01310 -0.00547 -0.00860 48 4XZ -0.00245 0.03608 0.03191 0.06790 -0.02812 49 4YZ -0.00737 -0.08449 0.01240 -0.03104 0.05309 50 6 H 1S -0.03554 0.32954 0.13423 0.22530 -0.25391 51 2S 0.32556 -0.57765 -0.29793 0.22918 -0.46372 52 7 C 1S 0.00660 -0.00251 -0.01119 0.00773 0.00070 53 2S 0.19126 -0.44875 0.08950 0.43179 -0.03880 54 2PX 0.19680 0.04229 -0.30456 0.04065 -0.10220 55 2PY 0.04376 -0.38618 0.15197 0.08628 -0.05157 56 2PZ 0.10030 0.01492 -0.18352 -0.09761 -0.04419 57 3S -0.45001 1.17938 -1.33046 -2.11469 -0.29279 58 3PX -0.90172 -0.28340 1.62841 0.82998 0.60059 59 3PY -0.21410 0.81392 -0.13499 -0.22266 -0.44534 60 3PZ -0.83537 -0.55067 1.55449 0.50011 0.59671 61 4XX 0.03643 -0.04931 0.00151 -0.04644 -0.04190 62 4YY 0.04184 0.00234 -0.02674 0.08329 0.09365 63 4ZZ -0.04564 -0.02311 0.00242 -0.00309 -0.06586 64 4XY -0.00981 0.02777 0.01679 0.05919 -0.03021 65 4XZ 0.02713 -0.01992 -0.07267 -0.00968 0.02953 66 4YZ 0.01717 0.00138 -0.01103 -0.04281 -0.04314 67 8 H 1S 0.02889 0.19362 -0.14243 0.13036 0.39256 68 2S 0.14806 -0.96788 0.38186 0.15617 -0.14085 69 9 C 1S -0.02677 -0.02131 -0.01204 -0.00231 0.00030 70 2S 0.57973 -0.17168 0.32960 -0.23143 0.47162 71 2PX -0.06464 0.12030 0.18190 -0.07883 0.05701 72 2PY -0.27478 0.03066 0.00181 0.01397 -0.05812 73 2PZ 0.22350 -0.13513 0.13700 -0.09018 0.24373 74 3S -1.42022 0.73746 -0.29109 0.85138 -1.37876 75 3PX 0.13418 -0.30733 -0.09431 0.66661 -0.11437 76 3PY 1.15241 -0.16439 -0.81313 0.22173 0.15015 77 3PZ 0.07735 0.05219 -0.71978 0.15262 -0.08900 78 4XX -0.00366 -0.03287 -0.06415 -0.02520 -0.07386 79 4YY 0.04816 0.00036 0.01243 -0.00869 0.07129 80 4ZZ 0.00400 -0.01708 0.09213 0.00719 0.07070 81 4XY -0.00637 0.05402 0.03011 0.02348 -0.03531 82 4XZ 0.06432 -0.00478 -0.02229 -0.07107 0.00546 83 4YZ 0.01592 0.01512 0.00659 -0.00040 -0.03390 84 10 H 1S -0.50825 -0.05332 -0.05890 0.23800 -0.19776 85 2S 1.05454 -0.35864 0.10128 -0.24326 0.44802 86 11 H 1S -0.22158 -0.23251 -0.43751 -0.12797 -0.24176 87 2S 0.50205 0.26416 0.59464 -0.23963 0.60258 88 12 C 1S 0.02677 -0.02131 0.01204 0.00231 0.00030 89 2S -0.57973 -0.17167 -0.32960 0.23143 0.47162 90 2PX 0.06464 0.12030 -0.18190 0.07884 0.05701 91 2PY -0.27477 -0.03066 0.00181 0.01397 0.05811 92 2PZ -0.22351 -0.13513 -0.13700 0.09018 0.24373 93 3S 1.42022 0.73746 0.29110 -0.85139 -1.37876 94 3PX -0.13418 -0.30733 0.09431 -0.66661 -0.11437 95 3PY 1.15241 0.16439 -0.81316 0.22174 -0.15015 96 3PZ -0.07730 0.05220 0.71975 -0.15262 -0.08901 97 4XX 0.00366 -0.03287 0.06415 0.02520 -0.07386 98 4YY -0.04816 0.00036 -0.01243 0.00869 0.07129 99 4ZZ -0.00400 -0.01708 -0.09213 -0.00719 0.07070 100 4XY -0.00637 -0.05402 0.03011 0.02347 0.03531 101 4XZ -0.06432 -0.00478 0.02229 0.07107 0.00546 102 4YZ 0.01592 -0.01512 0.00660 -0.00040 0.03390 103 13 H 1S 0.50825 -0.05332 0.05890 -0.23801 -0.19776 104 2S -1.05454 -0.35863 -0.10128 0.24326 0.44802 105 14 H 1S 0.22158 -0.23251 0.43751 0.12797 -0.24176 106 2S -0.50204 0.26417 -0.59464 0.23964 0.60258 107 15 C 1S 0.00000 0.00221 0.00000 0.00000 0.03072 108 2S 0.00000 -0.06401 0.00000 0.00000 0.54744 109 2PX 0.00000 0.13800 0.00000 0.00000 0.00645 110 2PY 0.01829 0.00000 -0.11486 0.01182 0.00000 111 2PZ 0.00000 0.00182 0.00000 0.00000 -0.00339 112 3S 0.00000 -0.06990 0.00000 0.00000 -1.11885 113 3PX 0.00000 0.08391 0.00000 0.00000 0.03352 114 3PY -0.12183 -0.00001 0.44937 0.05079 0.00000 115 3PZ 0.00000 0.31993 0.00001 0.00000 -0.07538 116 4XX 0.00000 -0.01130 0.00000 0.00000 -0.00462 117 4YY 0.00000 -0.05704 0.00000 0.00000 0.05955 118 4ZZ 0.00000 0.04847 0.00000 0.00000 0.04993 119 4XY 0.04030 0.00000 0.04890 0.01249 0.00000 120 4XZ 0.00000 0.02221 0.00000 0.00000 -0.00606 121 4YZ -0.02862 0.00000 -0.01799 -0.01849 0.00000 122 16 C 1S 0.00269 -0.01083 -0.00758 -0.01582 0.00961 123 2S -0.10730 0.13798 0.13132 -0.81394 0.22035 124 2PX -0.06104 -0.16646 0.02462 0.07810 -0.09886 125 2PY -0.19487 -0.15640 0.10341 -0.03335 0.02831 126 2PZ 0.04510 -0.26766 -0.05779 0.15584 -0.01251 127 3S 0.20998 -0.52822 -0.06298 2.52076 -0.44922 128 3PX -0.08626 0.23859 0.23134 -0.17173 0.29549 129 3PY 0.48053 0.37851 -0.16710 0.52522 0.13325 130 3PZ -0.86805 0.52105 0.70187 -0.65607 0.06546 131 4XX 0.00886 0.02848 0.01586 -0.03441 -0.02806 132 4YY 0.01794 0.00034 -0.00433 -0.01009 0.03106 133 4ZZ -0.04428 -0.01218 0.01946 -0.05309 0.02125 134 4XY -0.00087 0.05105 0.00014 -0.00127 -0.05775 135 4XZ -0.05261 -0.01033 0.03495 -0.04567 -0.03850 136 4YZ -0.02782 -0.04387 0.02378 -0.00558 0.03674 137 17 C 1S -0.00269 -0.01083 0.00758 0.01582 0.00961 138 2S 0.10730 0.13798 -0.13132 0.81394 0.22035 139 2PX 0.06104 -0.16646 -0.02462 -0.07810 -0.09886 140 2PY -0.19487 0.15641 0.10341 -0.03334 -0.02831 141 2PZ -0.04511 -0.26766 0.05779 -0.15584 -0.01251 142 3S -0.20998 -0.52822 0.06297 -2.52076 -0.44921 143 3PX 0.08626 0.23859 -0.23134 0.17174 0.29549 144 3PY 0.48050 -0.37853 -0.16707 0.52519 -0.13326 145 3PZ 0.86807 0.52104 -0.70188 0.65609 0.06546 146 4XX -0.00886 0.02848 -0.01586 0.03441 -0.02806 147 4YY -0.01794 0.00034 0.00432 0.01009 0.03106 148 4ZZ 0.04428 -0.01218 -0.01946 0.05309 0.02125 149 4XY -0.00087 -0.05105 0.00014 -0.00127 0.05776 150 4XZ 0.05261 -0.01033 -0.03495 0.04567 -0.03850 151 4YZ -0.02782 0.04387 0.02378 -0.00558 -0.03674 152 18 H 1S 0.00000 -0.15620 0.00000 0.00000 0.00056 153 2S 0.00000 0.14021 0.00000 0.00000 0.32616 154 19 H 1S -0.27735 -0.18566 0.14087 -0.02193 0.14023 155 2S -0.01092 0.70129 0.15928 -0.71346 0.12570 156 20 H 1S 0.27735 -0.18566 -0.14088 0.02193 0.14023 157 2S 0.01092 0.70129 -0.15928 0.71346 0.12570 158 21 H 1S 0.00000 0.09060 0.00000 0.00000 0.13885 159 2S 0.00000 -0.37480 0.00000 0.00000 0.10993 160 22 O 1S 0.00954 -0.00331 -0.00861 0.00800 -0.00260 161 2S 0.01610 0.02248 0.14146 0.09462 0.01579 162 2PX -0.13685 0.00524 -0.10107 0.01816 0.06755 163 2PY -0.01932 0.14674 0.11235 -0.05900 -0.12797 164 2PZ 0.04490 0.05078 0.21538 -0.06369 -0.01975 165 3S -0.33805 -0.02731 -0.04998 -0.15620 0.13120 166 3PX 0.38663 0.03445 -0.11442 -0.00540 -0.11018 167 3PY 0.05715 -0.16085 -0.18451 0.08446 0.12163 168 3PZ 0.00674 -0.08078 -0.32895 0.00430 0.05008 169 4XX 0.01960 0.00598 0.07369 0.04059 0.00254 170 4YY 0.03567 0.02168 0.00346 0.06418 -0.00327 171 4ZZ -0.03846 0.00234 0.02748 -0.00578 0.00204 172 4XY 0.01737 -0.00599 -0.00552 0.01220 -0.04040 173 4XZ -0.00830 -0.02935 0.01717 0.04140 0.00382 174 4YZ 0.00036 0.02008 -0.00114 0.02118 -0.01867 175 23 O 1S -0.00954 -0.00331 0.00861 -0.00800 -0.00260 176 2S -0.01610 0.02248 -0.14146 -0.09462 0.01579 177 2PX 0.13685 0.00524 0.10107 -0.01816 0.06755 178 2PY -0.01932 -0.14674 0.11236 -0.05900 0.12797 179 2PZ -0.04490 0.05077 -0.21537 0.06369 -0.01975 180 3S 0.33805 -0.02731 0.04998 0.15620 0.13120 181 3PX -0.38663 0.03446 0.11442 0.00540 -0.11018 182 3PY 0.05715 0.16086 -0.18452 0.08446 -0.12163 183 3PZ -0.00674 -0.08077 0.32895 -0.00430 0.05008 184 4XX -0.01960 0.00598 -0.07369 -0.04059 0.00254 185 4YY -0.03567 0.02168 -0.00346 -0.06418 -0.00327 186 4ZZ 0.03846 0.00234 -0.02748 0.00578 0.00204 187 4XY 0.01737 0.00599 -0.00552 0.01220 0.04040 188 4XZ 0.00830 -0.02935 -0.01717 -0.04140 0.00382 189 4YZ 0.00035 -0.02008 -0.00113 0.02118 0.01867 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02724 1.09208 1.09920 1.11414 1 1 C 1S 0.01109 0.00052 0.01213 -0.02075 -0.01139 2 2S 0.20575 0.22186 -0.11796 -0.82666 0.05679 3 2PX -0.13600 -0.11949 -0.05079 0.03392 -0.00566 4 2PY -0.06597 0.10437 0.05026 0.03937 -0.11169 5 2PZ 0.01929 -0.06911 0.05426 0.10215 -0.05820 6 3S -0.97143 -1.03280 0.34563 2.75148 -0.53093 7 3PX 0.49679 0.72867 -0.16020 -0.40498 0.17690 8 3PY 0.01533 -0.02761 -0.36810 0.61480 0.13552 9 3PZ 0.26053 0.58458 -0.38300 -0.35688 0.16077 10 4XX -0.00484 -0.01554 0.03850 0.02452 -0.01701 11 4YY 0.01068 0.04122 -0.02372 -0.02317 0.02736 12 4ZZ 0.02254 -0.01535 -0.00591 -0.09208 -0.01678 13 4XY 0.00821 -0.00154 -0.00934 0.02557 -0.03091 14 4XZ -0.01037 -0.01610 0.02318 0.01906 -0.03531 15 4YZ 0.00529 0.00433 0.00484 -0.02567 0.05503 16 2 H 1S 0.03656 0.12770 -0.05125 0.10784 -0.09519 17 2S 0.20899 0.00666 -0.25283 -0.29641 0.19271 18 3 C 1S -0.00452 -0.01307 0.00843 0.01558 -0.01726 19 2S -0.29745 -0.43714 0.29754 0.56416 -0.48746 20 2PX 0.02352 0.00573 0.01866 0.08141 -0.10456 21 2PY -0.00012 0.15833 0.03452 0.01729 -0.00853 22 2PZ -0.01076 0.05173 0.01713 0.12160 0.00931 23 3S 1.19560 1.78102 -0.82308 -1.78011 0.98288 24 3PX 0.09729 0.20108 -0.10617 -0.69627 0.27272 25 3PY -0.21668 -0.73863 0.17768 0.14327 -0.16482 26 3PZ 0.23046 0.11090 -0.03050 -0.70167 0.04902 27 4XX 0.00146 0.00944 -0.00590 -0.00591 -0.04629 28 4YY -0.00557 -0.04089 0.00469 0.09245 -0.05716 29 4ZZ -0.02816 -0.03222 0.03391 -0.01840 0.05683 30 4XY -0.00585 -0.01964 0.00347 0.08273 -0.01810 31 4XZ -0.00394 -0.00935 0.01783 0.01967 -0.02808 32 4YZ -0.01053 -0.04164 0.00545 -0.01702 0.01907 33 4 H 1S -0.03480 -0.04339 0.08733 -0.10263 -0.02508 34 2S -0.14770 -0.35013 0.09979 -0.10682 -0.16502 35 5 C 1S 0.00452 -0.01307 -0.00843 0.01558 -0.01726 36 2S 0.29745 -0.43714 -0.29753 0.56416 -0.48746 37 2PX -0.02352 0.00573 -0.01866 0.08141 -0.10456 38 2PY -0.00011 -0.15833 0.03452 -0.01730 0.00853 39 2PZ 0.01076 0.05172 -0.01712 0.12160 0.00931 40 3S -1.19561 1.78100 0.82306 -1.78011 0.98288 41 3PX -0.09729 0.20109 0.10617 -0.69627 0.27272 42 3PY -0.21668 0.73863 0.17768 -0.14325 0.16481 43 3PZ -0.23047 0.11094 0.03050 -0.70168 0.04903 44 4XX -0.00146 0.00944 0.00590 -0.00591 -0.04629 45 4YY 0.00557 -0.04089 -0.00469 0.09245 -0.05716 46 4ZZ 0.02816 -0.03222 -0.03391 -0.01840 0.05683 47 4XY -0.00585 0.01964 0.00347 -0.08273 0.01810 48 4XZ 0.00394 -0.00935 -0.01783 0.01967 -0.02808 49 4YZ -0.01053 0.04164 0.00545 0.01703 -0.01908 50 6 H 1S 0.03480 -0.04339 -0.08733 -0.10263 -0.02508 51 2S 0.14771 -0.35013 -0.09979 -0.10682 -0.16502 52 7 C 1S -0.01109 0.00052 -0.01213 -0.02075 -0.01139 53 2S -0.20575 0.22186 0.11795 -0.82667 0.05679 54 2PX 0.13601 -0.11949 0.05079 0.03392 -0.00566 55 2PY -0.06597 -0.10437 0.05027 -0.03937 0.11169 56 2PZ -0.01929 -0.06911 -0.05426 0.10215 -0.05820 57 3S 0.97144 -1.03280 -0.34560 2.75149 -0.53093 58 3PX -0.49680 0.72867 0.16019 -0.40499 0.17690 59 3PY 0.01534 0.02758 -0.36813 -0.61478 -0.13553 60 3PZ -0.26054 0.58458 0.38298 -0.35690 0.16076 61 4XX 0.00484 -0.01554 -0.03850 0.02452 -0.01701 62 4YY -0.01069 0.04122 0.02372 -0.02317 0.02737 63 4ZZ -0.02254 -0.01535 0.00591 -0.09207 -0.01678 64 4XY 0.00821 0.00154 -0.00934 -0.02557 0.03091 65 4XZ 0.01037 -0.01610 -0.02318 0.01906 -0.03531 66 4YZ 0.00529 -0.00433 0.00484 0.02567 -0.05503 67 8 H 1S -0.03656 0.12770 0.05125 0.10784 -0.09519 68 2S -0.20899 0.00666 0.25282 -0.29642 0.19271 69 9 C 1S 0.00742 0.00466 -0.01167 0.00040 -0.01168 70 2S 0.10488 -0.35511 0.24800 -0.10973 -0.32102 71 2PX -0.06236 -0.01801 0.07798 0.16479 -0.13877 72 2PY -0.06497 0.23730 -0.11577 0.08628 0.03000 73 2PZ 0.05831 -0.26276 0.10660 -0.06447 -0.03512 74 3S -0.35426 0.97378 -0.33765 0.07213 0.77666 75 3PX -0.04624 0.02518 -0.45749 -0.24330 0.42644 76 3PY 0.19436 -0.39313 0.34362 -0.18788 -0.19190 77 3PZ -0.15292 0.59315 -0.32311 0.51764 0.12848 78 4XX 0.01652 0.01517 -0.02902 -0.01048 -0.01836 79 4YY 0.00418 -0.03535 0.02046 -0.00065 -0.04196 80 4ZZ 0.00477 -0.02501 0.03152 -0.00571 0.00572 81 4XY -0.01184 -0.11388 0.01238 -0.09027 -0.03026 82 4XZ 0.01821 0.01733 -0.02201 -0.02385 0.05804 83 4YZ 0.00533 -0.01916 0.02011 -0.04158 -0.05642 84 10 H 1S -0.06509 0.07295 -0.17694 -0.05066 -0.00834 85 2S 0.28556 -0.46905 0.23003 -0.38040 -0.01450 86 11 H 1S 0.07030 0.43234 -0.29347 0.14168 0.09253 87 2S 0.09410 -1.12722 0.88191 -0.22938 -0.75495 88 12 C 1S -0.00742 0.00466 0.01167 0.00040 -0.01168 89 2S -0.10487 -0.35511 -0.24800 -0.10973 -0.32102 90 2PX 0.06236 -0.01801 -0.07798 0.16479 -0.13877 91 2PY -0.06496 -0.23729 -0.11577 -0.08628 -0.03000 92 2PZ -0.05831 -0.26277 -0.10661 -0.06447 -0.03512 93 3S 0.35425 0.97378 0.33765 0.07213 0.77667 94 3PX 0.04624 0.02518 0.45748 -0.24331 0.42644 95 3PY 0.19435 0.39311 0.34361 0.18785 0.19190 96 3PZ 0.15292 0.59316 0.32313 0.51764 0.12849 97 4XX -0.01652 0.01517 0.02902 -0.01048 -0.01836 98 4YY -0.00418 -0.03535 -0.02047 -0.00065 -0.04196 99 4ZZ -0.00477 -0.02501 -0.03152 -0.00570 0.00572 100 4XY -0.01184 0.11388 0.01238 0.09028 0.03026 101 4XZ -0.01821 0.01733 0.02201 -0.02384 0.05804 102 4YZ 0.00533 0.01916 0.02011 0.04158 0.05642 103 13 H 1S 0.06509 0.07295 0.17694 -0.05066 -0.00834 104 2S -0.28555 -0.46905 -0.23003 -0.38040 -0.01450 105 14 H 1S -0.07030 0.43234 0.29347 0.14168 0.09253 106 2S -0.09408 -1.12722 -0.88191 -0.22937 -0.75496 107 15 C 1S 0.00000 -0.00092 0.00000 0.02842 -0.03479 108 2S 0.00000 0.28488 0.00000 0.55397 -0.49367 109 2PX 0.00000 0.33915 0.00000 0.10081 -0.03317 110 2PY -0.25328 0.00000 0.00513 0.00000 0.00000 111 2PZ -0.00001 0.09403 0.00000 -0.02669 0.02144 112 3S 0.00000 -0.94799 -0.00001 -1.65162 0.76637 113 3PX 0.00000 -1.00432 0.00000 -0.29845 0.20766 114 3PY 0.75515 0.00001 0.36897 0.00000 0.00001 115 3PZ 0.00002 -0.17276 0.00001 -0.32313 -0.47149 116 4XX 0.00000 0.12183 0.00000 0.01971 -0.10749 117 4YY 0.00000 0.04730 0.00000 0.02849 0.00338 118 4ZZ 0.00000 -0.11852 0.00000 0.01457 -0.03351 119 4XY 0.00344 0.00000 -0.14951 0.00000 0.00000 120 4XZ 0.00000 0.04082 0.00000 -0.05198 -0.15567 121 4YZ 0.10160 0.00000 0.05825 0.00000 0.00000 122 16 C 1S 0.01055 -0.00075 0.00464 0.00903 0.01456 123 2S -0.10624 0.04447 -0.08644 -0.21100 0.32885 124 2PX 0.18610 -0.06362 0.06182 0.13919 -0.16816 125 2PY -0.18764 -0.06820 0.01286 -0.00796 0.05672 126 2PZ 0.04732 -0.09599 -0.13368 0.01314 0.05951 127 3S 1.28403 -0.24480 0.37748 0.44935 -0.04584 128 3PX -0.36660 0.04005 0.16549 0.21843 0.43587 129 3PY 1.23308 0.18473 0.21593 0.03855 -0.33712 130 3PZ 0.10730 0.17247 1.10041 0.11939 -0.13295 131 4XX 0.01129 0.00967 -0.04105 0.05139 -0.02851 132 4YY 0.01929 -0.00773 0.00394 -0.05472 0.04720 133 4ZZ 0.02236 0.00411 0.05028 0.04401 0.02868 134 4XY 0.00689 -0.01587 0.01312 0.01726 -0.01438 135 4XZ 0.07234 0.01511 0.01461 -0.01270 0.00874 136 4YZ 0.00020 0.04935 0.00215 -0.05333 -0.08907 137 17 C 1S -0.01055 -0.00075 -0.00464 0.00903 0.01456 138 2S 0.10624 0.04447 0.08644 -0.21100 0.32885 139 2PX -0.18610 -0.06362 -0.06182 0.13919 -0.16816 140 2PY -0.18764 0.06820 0.01286 0.00796 -0.05672 141 2PZ -0.04732 -0.09599 0.13368 0.01314 0.05950 142 3S -1.28403 -0.24482 -0.37747 0.44935 -0.04583 143 3PX 0.36660 0.04006 -0.16549 0.21843 0.43588 144 3PY 1.23308 -0.18472 0.21597 -0.03855 0.33712 145 3PZ -0.10725 0.17247 -1.10040 0.11940 -0.13294 146 4XX -0.01129 0.00967 0.04105 0.05139 -0.02851 147 4YY -0.01929 -0.00772 -0.00394 -0.05472 0.04719 148 4ZZ -0.02236 0.00410 -0.05028 0.04401 0.02868 149 4XY 0.00690 0.01587 0.01312 -0.01726 0.01438 150 4XZ -0.07234 0.01511 -0.01461 -0.01270 0.00874 151 4YZ 0.00020 -0.04935 0.00216 0.05332 0.08907 152 18 H 1S 0.00000 0.03440 0.00000 0.10102 -0.05016 153 2S 0.00000 0.62714 0.00000 0.47170 -0.32669 154 19 H 1S 0.07752 -0.00129 0.24503 0.08689 -0.02620 155 2S 0.14391 0.16900 0.29770 -0.04613 -0.02372 156 20 H 1S -0.07752 -0.00129 -0.24503 0.08690 -0.02620 157 2S -0.14391 0.16900 -0.29770 -0.04612 -0.02372 158 21 H 1S 0.00000 -0.47958 0.00000 0.10583 -0.03824 159 2S 0.00000 1.02164 0.00000 0.55935 0.19922 160 22 O 1S 0.00630 -0.00082 0.00159 0.00674 0.01302 161 2S 0.45995 -0.12934 -0.00510 0.07665 0.21741 162 2PX 0.26734 -0.05529 0.34317 -0.03169 0.07813 163 2PY 0.37357 -0.06692 -0.25221 -0.11471 0.13224 164 2PZ -0.03922 0.06650 -0.26343 -0.31445 -0.41606 165 3S -1.13271 0.11723 0.18449 -0.24528 -0.75809 166 3PX -0.45549 0.15906 -0.71567 0.24809 -0.11855 167 3PY -0.65944 0.21086 0.38829 0.20310 -0.16320 168 3PZ 0.00450 -0.18377 0.30374 0.61917 0.73048 169 4XX 0.12945 -0.07383 -0.09944 0.01251 0.14772 170 4YY 0.09193 -0.03566 0.04624 0.03108 -0.03212 171 4ZZ 0.21128 -0.01686 0.04745 0.00726 0.08801 172 4XY -0.01516 0.05139 0.01392 -0.00630 -0.04811 173 4XZ 0.00424 -0.00416 0.06624 0.02076 0.00927 174 4YZ -0.01379 -0.04621 0.00123 0.01450 0.02438 175 23 O 1S -0.00630 -0.00082 -0.00159 0.00674 0.01302 176 2S -0.45995 -0.12935 0.00510 0.07666 0.21741 177 2PX -0.26734 -0.05530 -0.34317 -0.03168 0.07813 178 2PY 0.37357 0.06692 -0.25222 0.11472 -0.13222 179 2PZ 0.03924 0.06651 0.26342 -0.31445 -0.41607 180 3S 1.13271 0.11724 -0.18450 -0.24528 -0.75809 181 3PX 0.45549 0.15907 0.71567 0.24808 -0.11855 182 3PY -0.65944 -0.21086 0.38830 -0.20313 0.16317 183 3PZ -0.00452 -0.18378 -0.30372 0.61917 0.73049 184 4XX -0.12945 -0.07383 0.09944 0.01251 0.14772 185 4YY -0.09193 -0.03566 -0.04624 0.03108 -0.03212 186 4ZZ -0.21128 -0.01686 -0.04745 0.00726 0.08800 187 4XY -0.01516 -0.05139 0.01392 0.00630 0.04811 188 4XZ -0.00424 -0.00416 -0.06624 0.02076 0.00927 189 4YZ -0.01379 0.04621 0.00123 -0.01450 -0.02438 111 112 113 114 115 V V V V V Eigenvalues -- 1.14919 1.15187 1.18946 1.20406 1.25129 1 1 C 1S 0.00786 -0.00318 0.00508 0.02079 0.00099 2 2S -0.40019 -0.27258 0.07670 0.20123 0.26943 3 2PX 0.03893 -0.16541 -0.02926 0.02836 -0.02098 4 2PY -0.29283 0.05614 0.10076 -0.33598 0.05173 5 2PZ 0.14137 -0.01242 0.08614 -0.02017 -0.06980 6 3S -0.28246 0.38119 -0.77923 -1.58190 -0.88744 7 3PX 0.01207 0.43412 -0.17041 -0.24590 0.56068 8 3PY 0.60813 -0.03725 -0.87167 1.77643 -0.14159 9 3PZ -0.63084 0.26681 -0.95549 0.38351 0.33211 10 4XX 0.02629 0.03273 -0.05385 -0.00352 -0.04307 11 4YY -0.02242 -0.01588 -0.01819 0.13683 -0.00394 12 4ZZ -0.02468 -0.04201 0.06166 -0.08049 0.04666 13 4XY -0.04112 -0.01492 -0.01869 0.05779 -0.05128 14 4XZ -0.10571 -0.00350 0.00813 -0.01908 -0.02178 15 4YZ 0.03878 -0.01701 -0.00908 0.02210 0.07804 16 2 H 1S 0.09839 0.04708 -0.13583 0.54263 0.05619 17 2S 0.29797 -0.20125 -0.30651 0.82783 0.06706 18 3 C 1S -0.00257 -0.00064 -0.00168 -0.00951 -0.04030 19 2S -0.01234 -0.04096 -0.18485 -0.35371 -0.90580 20 2PX -0.00660 0.01633 0.00058 -0.08112 -0.03392 21 2PY -0.05892 0.07535 -0.04402 -0.07626 -0.00014 22 2PZ -0.05686 0.02485 0.05181 -0.11863 0.15854 23 3S -0.39189 0.43624 0.02565 -0.07392 3.44749 24 3PX 0.62437 -0.04840 0.10610 0.45836 -0.04317 25 3PY 0.22532 -0.32242 0.42595 -0.85452 0.19742 26 3PZ 1.03984 -0.08452 0.14545 0.27900 -0.77037 27 4XX -0.05803 -0.02318 -0.00626 -0.02532 -0.04051 28 4YY 0.00412 0.00953 -0.02822 -0.01240 -0.01613 29 4ZZ 0.06672 0.00581 0.02307 -0.00044 -0.03168 30 4XY 0.03513 0.01173 -0.11165 0.02840 -0.06144 31 4XZ -0.01243 0.00407 0.00682 -0.05165 -0.07664 32 4YZ 0.05349 -0.04260 0.12676 -0.00010 -0.01153 33 4 H 1S 0.39924 -0.07302 0.14159 -0.05174 -0.37782 34 2S 0.39251 -0.13781 -0.02447 0.02726 -0.65757 35 5 C 1S 0.00257 -0.00064 -0.00168 0.00951 0.04030 36 2S 0.01234 -0.04096 -0.18485 0.35371 0.90580 37 2PX 0.00660 0.01633 0.00058 0.08112 0.03392 38 2PY -0.05892 -0.07535 0.04401 -0.07626 -0.00013 39 2PZ 0.05686 0.02485 0.05181 0.11863 -0.15854 40 3S 0.39191 0.43623 0.02565 0.07392 -3.44749 41 3PX -0.62437 -0.04839 0.10611 -0.45836 0.04317 42 3PY 0.22537 0.32243 -0.42595 -0.85451 0.19739 43 3PZ -1.03983 -0.08448 0.14543 -0.27903 0.77038 44 4XX 0.05803 -0.02318 -0.00626 0.02532 0.04051 45 4YY -0.00412 0.00952 -0.02822 0.01240 0.01613 46 4ZZ -0.06672 0.00582 0.02306 0.00044 0.03167 47 4XY 0.03513 -0.01173 0.11165 0.02840 -0.06144 48 4XZ 0.01243 0.00407 0.00682 0.05165 0.07664 49 4YZ 0.05349 0.04260 -0.12677 -0.00010 -0.01153 50 6 H 1S -0.39924 -0.07301 0.14159 0.05175 0.37782 51 2S -0.39251 -0.13780 -0.02447 -0.02726 0.65757 52 7 C 1S -0.00786 -0.00318 0.00508 -0.02079 -0.00099 53 2S 0.40019 -0.27259 0.07670 -0.20123 -0.26943 54 2PX -0.03894 -0.16541 -0.02926 -0.02836 0.02098 55 2PY -0.29282 -0.05613 -0.10076 -0.33598 0.05173 56 2PZ -0.14138 -0.01242 0.08614 0.02016 0.06981 57 3S 0.28246 0.38117 -0.77924 1.58189 0.88744 58 3PX -0.01206 0.43412 -0.17041 0.24590 -0.56068 59 3PY 0.60810 0.03723 0.87169 1.77646 -0.14157 60 3PZ 0.63087 0.26680 -0.95545 -0.38345 -0.33211 61 4XX -0.02629 0.03273 -0.05385 0.00352 0.04307 62 4YY 0.02241 -0.01588 -0.01819 -0.13683 0.00393 63 4ZZ 0.02469 -0.04201 0.06166 0.08049 -0.04665 64 4XY -0.04112 0.01492 0.01869 0.05779 -0.05128 65 4XZ 0.10571 -0.00350 0.00813 0.01908 0.02178 66 4YZ 0.03878 0.01701 0.00908 0.02209 0.07804 67 8 H 1S -0.09839 0.04708 -0.13582 -0.54263 -0.05619 68 2S -0.29797 -0.20124 -0.30650 -0.82784 -0.06706 69 9 C 1S -0.02841 -0.00262 -0.03867 0.01356 -0.01251 70 2S -0.38610 -0.05501 -0.80682 0.18767 -0.28716 71 2PX 0.08574 -0.01462 -0.11806 -0.00197 0.15112 72 2PY 0.01176 -0.04198 -0.04725 -0.04692 0.01426 73 2PZ -0.12782 0.10682 0.03617 0.16542 -0.03507 74 3S 1.27762 -0.35224 2.26080 -1.55348 0.91965 75 3PX -0.42652 -0.06761 0.04987 0.38289 -0.81661 76 3PY -0.53914 0.16577 -0.29996 -1.06517 0.24207 77 3PZ 0.56732 -0.04986 -0.52377 -0.43545 0.39221 78 4XX 0.01105 0.00147 0.00532 -0.00944 0.00450 79 4YY -0.01727 0.01412 -0.07310 -0.01426 -0.01316 80 4ZZ -0.05094 -0.02492 -0.05726 0.03761 -0.02264 81 4XY -0.00172 -0.00969 0.06090 -0.00514 -0.00755 82 4XZ 0.06508 -0.04526 -0.00090 -0.04329 0.09959 83 4YZ -0.03500 -0.00096 0.08693 -0.06298 -0.00481 84 10 H 1S -0.25515 -0.04425 -0.13640 0.08317 -0.18549 85 2S -0.49802 0.06687 -0.13533 0.21021 -0.35724 86 11 H 1S 0.00116 -0.08632 -0.10653 -0.14368 0.08679 87 2S -0.46205 0.24041 -0.36888 0.08298 -0.02836 88 12 C 1S 0.02841 -0.00262 -0.03867 -0.01356 0.01251 89 2S 0.38609 -0.05501 -0.80682 -0.18768 0.28717 90 2PX -0.08574 -0.01462 -0.11806 0.00197 -0.15112 91 2PY 0.01176 0.04198 0.04725 -0.04691 0.01425 92 2PZ 0.12782 0.10682 0.03618 -0.16542 0.03507 93 3S -1.27762 -0.35223 2.26078 1.55350 -0.91966 94 3PX 0.42652 -0.06762 0.04987 -0.38289 0.81662 95 3PY -0.53912 -0.16576 0.29999 -1.06519 0.24208 96 3PZ -0.56734 -0.04986 -0.52376 0.43540 -0.39220 97 4XX -0.01105 0.00147 0.00532 0.00944 -0.00450 98 4YY 0.01728 0.01412 -0.07310 0.01427 0.01316 99 4ZZ 0.05093 -0.02492 -0.05726 -0.03761 0.02264 100 4XY -0.00172 0.00969 -0.06090 -0.00514 -0.00755 101 4XZ -0.06508 -0.04526 -0.00090 0.04329 -0.09959 102 4YZ -0.03500 0.00096 -0.08693 -0.06297 -0.00481 103 13 H 1S 0.25515 -0.04426 -0.13640 -0.08317 0.18550 104 2S 0.49802 0.06686 -0.13533 -0.21022 0.35724 105 14 H 1S -0.00116 -0.08632 -0.10653 0.14368 -0.08679 106 2S 0.46205 0.24040 -0.36888 -0.08298 0.02836 107 15 C 1S 0.00000 -0.02222 0.04281 0.00000 0.00000 108 2S 0.00000 -0.30591 0.74471 0.00000 0.00000 109 2PX 0.00000 -0.06288 -0.29019 0.00000 0.00000 110 2PY 0.03742 0.00000 0.00000 0.00608 0.05645 111 2PZ 0.00000 -0.17970 -0.02055 0.00000 0.00000 112 3S 0.00001 0.52478 -1.16671 0.00000 -0.00001 113 3PX 0.00000 -0.47165 0.39212 0.00000 0.00000 114 3PY 0.44389 -0.00002 0.00001 -0.60856 0.11056 115 3PZ 0.00001 0.72124 -0.41103 -0.00001 0.00000 116 4XX 0.00000 -0.00503 -0.00723 0.00000 0.00000 117 4YY 0.00000 0.04369 0.11024 0.00000 0.00000 118 4ZZ 0.00000 -0.15104 0.01036 0.00000 0.00000 119 4XY -0.00361 0.00000 0.00000 0.01961 -0.07458 120 4XZ 0.00000 -0.20510 0.00422 0.00000 0.00000 121 4YZ -0.07041 0.00000 0.00000 0.06270 0.01597 122 16 C 1S -0.00048 0.02009 -0.00439 -0.00221 0.00740 123 2S -0.58326 0.13795 0.00675 -0.10221 0.25519 124 2PX 0.10248 0.04495 0.03918 0.09911 -0.16312 125 2PY -0.09995 0.07452 -0.06238 0.13996 0.04375 126 2PZ -0.10563 0.14717 0.11880 -0.07882 -0.13906 127 3S 2.40142 0.24818 0.10705 -0.94594 -0.57682 128 3PX 0.78355 0.10141 0.27615 -0.81592 1.00069 129 3PY 1.00196 -0.31986 0.36096 -0.65103 -0.10686 130 3PZ 0.95091 -0.09007 0.12057 -0.13874 1.11266 131 4XX 0.01185 0.09077 -0.08423 -0.02725 -0.08943 132 4YY 0.00068 0.00651 -0.02579 -0.00738 0.00790 133 4ZZ 0.01228 -0.04732 0.10287 -0.02354 0.11842 134 4XY 0.00288 -0.10459 -0.12490 -0.01383 -0.00737 135 4XZ -0.01115 -0.03153 -0.02072 -0.05655 0.02438 136 4YZ 0.00624 0.00932 0.02987 0.01878 0.03740 137 17 C 1S 0.00048 0.02009 -0.00439 0.00221 -0.00740 138 2S 0.58326 0.13793 0.00675 0.10221 -0.25519 139 2PX -0.10248 0.04496 0.03918 -0.09911 0.16312 140 2PY -0.09996 -0.07452 0.06237 0.13996 0.04375 141 2PZ 0.10563 0.14717 0.11880 0.07883 0.13906 142 3S -2.40142 0.24822 0.10704 0.94594 0.57682 143 3PX -0.78355 0.10142 0.27614 0.81592 -1.00069 144 3PY 1.00201 0.31985 -0.36096 -0.65104 -0.10682 145 3PZ -0.95087 -0.09004 0.12055 0.13871 -1.11266 146 4XX -0.01185 0.09077 -0.08423 0.02725 0.08943 147 4YY -0.00068 0.00651 -0.02579 0.00737 -0.00790 148 4ZZ -0.01228 -0.04732 0.10287 0.02354 -0.11842 149 4XY 0.00288 0.10459 0.12490 -0.01384 -0.00737 150 4XZ 0.01115 -0.03153 -0.02072 0.05655 -0.02438 151 4YZ 0.00624 -0.00932 -0.02988 0.01878 0.03741 152 18 H 1S 0.00000 0.23488 0.17262 0.00000 0.00000 153 2S 0.00000 -0.03988 -0.11354 0.00000 0.00000 154 19 H 1S 0.19136 0.04902 0.24748 -0.01472 0.33499 155 2S 0.19977 -0.18494 -0.10069 -0.16692 0.34001 156 20 H 1S -0.19136 0.04903 0.24748 0.01472 -0.33499 157 2S -0.19977 -0.18494 -0.10069 0.16692 -0.34001 158 21 H 1S 0.00000 -0.03250 0.16193 0.00000 0.00000 159 2S -0.00001 -0.59696 0.58170 0.00000 0.00000 160 22 O 1S -0.00269 0.01389 0.01444 0.00266 -0.00396 161 2S 0.06936 0.27713 0.18831 0.02841 -0.01543 162 2PX 0.01716 -0.42867 -0.05314 -0.14105 -0.02065 163 2PY -0.03289 0.16094 -0.23465 -0.02803 -0.10516 164 2PZ 0.25404 0.11318 0.00024 -0.24990 0.09654 165 3S 0.37843 -0.66794 -0.37367 -0.15500 0.48049 166 3PX -0.38045 0.80386 0.10589 0.46114 -0.17371 167 3PY -0.01430 -0.27311 0.48024 0.08502 0.17061 168 3PZ -0.59735 -0.13617 0.11906 0.65418 -0.22172 169 4XX 0.03598 0.09333 0.09070 -0.00384 -0.08651 170 4YY 0.04313 -0.04860 0.04923 0.00813 0.01468 171 4ZZ -0.01531 0.20005 0.00756 0.00427 0.05320 172 4XY 0.00151 0.01899 -0.01811 0.03715 0.00457 173 4XZ 0.05751 0.05031 0.05262 0.02287 0.06195 174 4YZ -0.00739 -0.05376 -0.06411 0.03455 0.00272 175 23 O 1S 0.00269 0.01389 0.01444 -0.00266 0.00396 176 2S -0.06935 0.27714 0.18831 -0.02841 0.01543 177 2PX -0.01716 -0.42867 -0.05314 0.14104 0.02065 178 2PY -0.03289 -0.16094 0.23465 -0.02804 -0.10516 179 2PZ -0.25404 0.11317 0.00025 0.24990 -0.09654 180 3S -0.37844 -0.66794 -0.37367 0.15500 -0.48049 181 3PX 0.38047 0.80386 0.10589 -0.46114 0.17371 182 3PY -0.01432 0.27311 -0.48024 0.08504 0.17060 183 3PZ 0.59735 -0.13617 0.11904 -0.65418 0.22173 184 4XX -0.03598 0.09333 0.09070 0.00384 0.08651 185 4YY -0.04313 -0.04860 0.04922 -0.00813 -0.01467 186 4ZZ 0.01532 0.20005 0.00757 -0.00427 -0.05320 187 4XY 0.00151 -0.01899 0.01811 0.03715 0.00457 188 4XZ -0.05751 0.05031 0.05262 -0.02287 -0.06195 189 4YZ -0.00739 0.05375 0.06411 0.03455 0.00272 116 117 118 119 120 V V V V V Eigenvalues -- 1.26438 1.36726 1.37046 1.39832 1.42703 1 1 C 1S 0.02392 -0.00358 0.00680 0.03049 -0.00199 2 2S 0.22078 -0.04076 0.01120 0.38682 -0.13134 3 2PX 0.09516 0.00153 -0.04874 0.08862 -0.04657 4 2PY -0.00774 -0.08481 0.06382 0.07741 -0.07143 5 2PZ 0.03997 0.00427 0.04316 0.00875 -0.01690 6 3S -0.72301 -0.19882 0.47764 -1.03676 1.48667 7 3PX -0.49241 -0.09125 0.14372 -0.30318 -0.17447 8 3PY 0.42631 0.06688 -0.29138 -0.47582 1.33036 9 3PZ -0.58839 -0.42141 -0.46354 -0.25034 0.27831 10 4XX -0.00536 0.08798 -0.09580 0.19334 -0.03485 11 4YY 0.06299 0.05496 -0.02952 -0.05791 0.06509 12 4ZZ -0.04324 -0.15719 0.12100 -0.07240 0.00194 13 4XY 0.00115 -0.05294 -0.03346 -0.04489 0.05938 14 4XZ 0.07337 0.05165 -0.01905 -0.00070 -0.01861 15 4YZ 0.00019 0.09275 -0.07982 0.16045 -0.08186 16 2 H 1S 0.24038 -0.07986 -0.12280 0.04810 0.16431 17 2S 0.14700 0.05386 -0.12045 -0.05598 0.33933 18 3 C 1S 0.01227 0.00327 0.02934 -0.00468 0.01971 19 2S 0.34844 0.08645 0.56178 -0.12318 0.40198 20 2PX 0.10634 0.06344 0.03727 0.02798 0.00539 21 2PY 0.08208 0.00686 -0.01953 -0.06954 -0.02613 22 2PZ 0.10521 0.03889 0.07486 -0.05099 0.09509 23 3S -0.62713 -0.21195 -1.90852 0.03510 -2.71361 24 3PX -0.43453 -0.22861 -0.59652 0.29046 -0.89816 25 3PY -0.20121 -0.02399 -0.41215 0.41385 -1.27122 26 3PZ -0.40483 -0.17279 -0.25749 0.39860 -1.29774 27 4XX -0.00587 -0.15178 0.12143 -0.19839 0.08177 28 4YY 0.06995 0.04890 0.00223 -0.04167 -0.00143 29 4ZZ -0.05185 0.09874 -0.07755 0.22900 -0.07055 30 4XY -0.00325 0.04171 -0.00472 0.02389 0.01590 31 4XZ 0.04866 0.05834 0.05477 -0.06702 -0.00705 32 4YZ -0.01380 -0.05322 0.02857 -0.11100 -0.01238 33 4 H 1S -0.06928 -0.04134 0.01236 0.19129 -0.23532 34 2S -0.22114 -0.14767 -0.04670 0.24158 -0.43630 35 5 C 1S 0.01227 0.00327 -0.02934 -0.00468 -0.01971 36 2S 0.34845 0.08645 -0.56178 -0.12318 -0.40198 37 2PX 0.10634 0.06344 -0.03727 0.02798 -0.00539 38 2PY -0.08209 -0.00686 -0.01953 0.06954 -0.02612 39 2PZ 0.10520 0.03889 -0.07486 -0.05099 -0.09509 40 3S -0.62715 -0.21197 1.90852 0.03510 2.71362 41 3PX -0.43453 -0.22861 0.59652 0.29046 0.89816 42 3PY 0.20122 0.02400 -0.41216 -0.41386 -1.27127 43 3PZ -0.40482 -0.17278 0.25747 0.39858 1.29769 44 4XX -0.00587 -0.15178 -0.12143 -0.19839 -0.08177 45 4YY 0.06995 0.04889 -0.00223 -0.04168 0.00143 46 4ZZ -0.05185 0.09875 0.07755 0.22901 0.07055 47 4XY 0.00325 -0.04171 -0.00472 -0.02388 0.01590 48 4XZ 0.04866 0.05834 -0.05477 -0.06702 0.00705 49 4YZ 0.01381 0.05322 0.02856 0.11099 -0.01238 50 6 H 1S -0.06928 -0.04133 -0.01237 0.19129 0.23532 51 2S -0.22114 -0.14767 0.04670 0.24158 0.43630 52 7 C 1S 0.02392 -0.00358 -0.00680 0.03049 0.00199 53 2S 0.22078 -0.04076 -0.01120 0.38682 0.13134 54 2PX 0.09516 0.00153 0.04874 0.08862 0.04657 55 2PY 0.00774 0.08481 0.06382 -0.07741 -0.07143 56 2PZ 0.03997 0.00427 -0.04316 0.00875 0.01689 57 3S -0.72301 -0.19882 -0.47765 -1.03676 -1.48667 58 3PX -0.49242 -0.09124 -0.14371 -0.30318 0.17448 59 3PY -0.42629 -0.06686 -0.29140 0.47582 1.33036 60 3PZ -0.58841 -0.42141 0.46353 -0.25032 -0.27825 61 4XX -0.00536 0.08798 0.09580 0.19334 0.03485 62 4YY 0.06299 0.05497 0.02952 -0.05790 -0.06508 63 4ZZ -0.04324 -0.15720 -0.12101 -0.07241 -0.00194 64 4XY -0.00115 0.05294 -0.03346 0.04489 0.05938 65 4XZ 0.07337 0.05166 0.01905 -0.00070 0.01861 66 4YZ -0.00018 -0.09274 -0.07981 -0.16044 -0.08186 67 8 H 1S 0.24038 -0.07986 0.12280 0.04810 -0.16431 68 2S 0.14700 0.05386 0.12045 -0.05598 -0.33933 69 9 C 1S -0.04202 -0.03924 -0.02434 0.00601 0.02050 70 2S -0.63840 -0.61954 -0.27400 0.37917 0.22957 71 2PX 0.18527 -0.11429 0.14704 -0.00641 0.08325 72 2PY 0.01363 -0.10163 0.05219 0.06503 -0.01095 73 2PZ 0.00056 0.20119 -0.08271 -0.15537 0.03369 74 3S 1.87482 1.34533 1.31499 0.00664 -1.58446 75 3PX -0.37822 0.22829 -0.85200 -0.05290 -0.28350 76 3PY -0.53884 -0.18628 0.30568 -0.18200 -0.32681 77 3PZ -0.11630 -0.40838 0.29583 -0.02067 0.36246 78 4XX -0.07911 -0.08721 0.02649 -0.07008 0.05194 79 4YY -0.04830 -0.05724 0.01104 0.00785 -0.00258 80 4ZZ 0.01806 0.07238 -0.07499 0.09488 -0.03743 81 4XY -0.09059 -0.07409 0.04411 -0.07259 0.02522 82 4XZ -0.00970 -0.00425 0.08844 0.00112 0.00857 83 4YZ 0.01382 -0.13572 0.04111 -0.00570 -0.02386 84 10 H 1S -0.17103 -0.21642 -0.17261 0.02049 0.00124 85 2S -0.47086 0.11149 -0.39324 0.00470 -0.05608 86 11 H 1S -0.15627 -0.17612 0.07099 -0.03534 0.13018 87 2S -0.12896 -0.30982 0.06197 0.14642 0.17673 88 12 C 1S -0.04202 -0.03924 0.02434 0.00601 -0.02050 89 2S -0.63840 -0.61955 0.27399 0.37918 -0.22957 90 2PX 0.18527 -0.11429 -0.14704 -0.00641 -0.08325 91 2PY -0.01363 0.10162 0.05219 -0.06502 -0.01095 92 2PZ 0.00056 0.20119 0.08271 -0.15537 -0.03369 93 3S 1.87481 1.34534 -1.31498 0.00663 1.58446 94 3PX -0.37821 0.22829 0.85200 -0.05290 0.28350 95 3PY 0.53885 0.18630 0.30569 0.18201 -0.32679 96 3PZ -0.11628 -0.40837 -0.29582 -0.02066 -0.36247 97 4XX -0.07911 -0.08721 -0.02649 -0.07008 -0.05194 98 4YY -0.04830 -0.05725 -0.01104 0.00785 0.00258 99 4ZZ 0.01806 0.07239 0.07499 0.09488 0.03742 100 4XY 0.09059 0.07409 0.04411 0.07259 0.02521 101 4XZ -0.00970 -0.00425 -0.08844 0.00112 -0.00857 102 4YZ -0.01382 0.13572 0.04111 0.00570 -0.02386 103 13 H 1S -0.17102 -0.21642 0.17261 0.02049 -0.00124 104 2S -0.47086 0.11148 0.39325 0.00470 0.05608 105 14 H 1S -0.15627 -0.17612 -0.07099 -0.03534 -0.13018 106 2S -0.12896 -0.30982 -0.06197 0.14642 -0.17673 107 15 C 1S -0.05236 -0.00938 0.00000 0.02836 0.00000 108 2S -0.82045 0.04652 0.00000 0.32653 0.00000 109 2PX -0.05163 0.02870 0.00000 -0.04113 0.00000 110 2PY 0.00000 0.00000 -0.17746 0.00000 0.06158 111 2PZ 0.00186 0.03014 0.00000 0.01052 0.00000 112 3S 2.59783 -0.03930 0.00000 -1.08389 0.00000 113 3PX 0.02737 -0.30926 0.00000 0.26542 0.00000 114 3PY 0.00001 0.00000 -0.98892 0.00000 0.27154 115 3PZ -0.30549 0.12314 -0.00002 0.05740 0.00001 116 4XX -0.08368 0.07466 0.00000 0.08345 0.00000 117 4YY 0.10588 -0.07446 -0.00001 -0.00386 -0.00001 118 4ZZ -0.08516 -0.01009 0.00001 -0.05404 0.00001 119 4XY 0.00000 0.00000 0.06800 0.00000 -0.36301 120 4XZ -0.07623 0.12743 0.00000 -0.04458 -0.00001 121 4YZ 0.00000 0.00000 0.16856 0.00000 0.29105 122 16 C 1S -0.01131 0.01609 -0.02503 -0.02890 -0.00973 123 2S -0.31841 0.38219 -0.34933 -0.50951 -0.36848 124 2PX 0.13207 -0.07670 0.03631 0.15010 0.07914 125 2PY 0.11107 0.03984 -0.00259 -0.04253 0.06978 126 2PZ 0.01300 0.17797 -0.08799 -0.10660 0.00335 127 3S 0.36097 -0.57836 1.52651 1.15112 1.28483 128 3PX -0.44561 -0.20676 -0.42035 0.05036 0.35536 129 3PY -0.23834 -0.11249 1.91651 -0.10735 -0.33831 130 3PZ -0.24851 -0.51309 0.14190 0.49905 -0.18247 131 4XX -0.14370 -0.02776 -0.15320 -0.13926 0.01106 132 4YY 0.02601 0.05753 0.01375 -0.09251 -0.00073 133 4ZZ 0.02872 -0.01608 0.08836 0.22955 0.00631 134 4XY -0.12678 0.24441 0.03357 -0.07519 -0.01117 135 4XZ -0.04359 0.17102 -0.07167 -0.01104 -0.02497 136 4YZ -0.00763 -0.10538 0.00056 -0.09713 -0.09739 137 17 C 1S -0.01131 0.01609 0.02503 -0.02890 0.00973 138 2S -0.31841 0.38219 0.34933 -0.50951 0.36848 139 2PX 0.13207 -0.07670 -0.03631 0.15010 -0.07914 140 2PY -0.11107 -0.03984 -0.00259 0.04253 0.06978 141 2PZ 0.01299 0.17797 0.08799 -0.10660 -0.00335 142 3S 0.36097 -0.57835 -1.52652 1.15112 -1.28483 143 3PX -0.44562 -0.20677 0.42034 0.05036 -0.35536 144 3PY 0.23835 0.11249 1.91652 0.10734 -0.33832 145 3PZ -0.24851 -0.51309 -0.14183 0.49905 0.18246 146 4XX -0.14370 -0.02777 0.15320 -0.13925 -0.01106 147 4YY 0.02601 0.05752 -0.01374 -0.09252 0.00073 148 4ZZ 0.02872 -0.01607 -0.08836 0.22956 -0.00632 149 4XY 0.12678 -0.24442 0.03356 0.07519 -0.01117 150 4XZ -0.04359 0.17101 0.07167 -0.01104 0.02497 151 4YZ 0.00763 0.10539 0.00056 0.09712 -0.09739 152 18 H 1S -0.23101 0.05449 0.00000 0.04442 0.00000 153 2S -0.48222 0.12573 0.00000 -0.00444 0.00000 154 19 H 1S -0.00535 -0.04459 0.14582 -0.04191 -0.15841 155 2S -0.37751 -0.19570 0.29933 -0.02646 -0.29771 156 20 H 1S -0.00536 -0.04459 -0.14582 -0.04191 0.15841 157 2S -0.37752 -0.19570 -0.29933 -0.02646 0.29771 158 21 H 1S -0.24468 -0.12874 0.00000 0.14238 0.00000 159 2S -0.15172 0.08191 0.00000 0.16889 0.00000 160 22 O 1S 0.01455 -0.01718 -0.00038 0.01509 -0.01366 161 2S 0.05297 -0.18687 0.11897 0.14237 -0.27636 162 2PX 0.21546 -0.03748 -0.30921 -0.07767 0.05403 163 2PY 0.04585 -0.02607 0.10717 0.03030 0.03013 164 2PZ 0.11009 0.11039 -0.23821 -0.01672 0.19735 165 3S -0.51428 0.73229 -0.07771 -0.51187 0.78420 166 3PX -0.58259 -0.02973 0.94671 0.49716 -0.27074 167 3PY 0.07594 -0.04235 -0.50118 -0.07287 -0.00221 168 3PZ -0.39601 -0.27908 0.86012 0.18068 -0.64923 169 4XX 0.11643 -0.05523 -0.01920 0.19803 -0.23075 170 4YY -0.11171 0.05172 -0.03160 0.00874 -0.05932 171 4ZZ 0.09474 -0.18561 0.12792 -0.06366 0.07487 172 4XY -0.06692 0.08982 0.06570 0.06216 0.20191 173 4XZ -0.02395 -0.00085 0.10050 -0.04650 -0.06396 174 4YZ -0.07712 0.01150 0.05915 -0.12312 -0.19155 175 23 O 1S 0.01455 -0.01718 0.00038 0.01509 0.01366 176 2S 0.05297 -0.18687 -0.11897 0.14237 0.27636 177 2PX 0.21546 -0.03748 0.30921 -0.07767 -0.05403 178 2PY -0.04585 0.02607 0.10716 -0.03030 0.03014 179 2PZ 0.11008 0.11039 0.23822 -0.01672 -0.19734 180 3S -0.51428 0.73228 0.07772 -0.51187 -0.78420 181 3PX -0.58259 -0.02971 -0.94671 0.49716 0.27074 182 3PY -0.07592 0.04237 -0.50115 0.07286 -0.00223 183 3PZ -0.39602 -0.27907 -0.86014 0.18068 0.64923 184 4XX 0.11643 -0.05523 0.01920 0.19803 0.23075 185 4YY -0.11171 0.05172 0.03160 0.00873 0.05933 186 4ZZ 0.09474 -0.18561 -0.12792 -0.06365 -0.07489 187 4XY 0.06692 -0.08983 0.06570 -0.06216 0.20190 188 4XZ -0.02395 -0.00086 -0.10050 -0.04650 0.06397 189 4YZ 0.07711 -0.01149 0.05915 0.12312 -0.19154 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43859 1.47573 1.49204 1.52643 1 1 C 1S -0.00106 0.00081 -0.03063 -0.03114 -0.00607 2 2S 0.01601 0.20900 -0.35371 -0.64134 0.04275 3 2PX 0.05016 0.19410 -0.06786 -0.11834 -0.00947 4 2PY 0.07910 0.06703 0.03648 -0.04191 0.03941 5 2PZ -0.00580 0.09660 0.03729 0.03271 0.02640 6 3S -0.02200 -2.13874 1.31294 2.40628 -0.17835 7 3PX -0.27393 -0.16721 -0.12628 -0.12801 -0.23795 8 3PY -0.49499 -1.88720 -0.33184 0.76046 -0.54529 9 3PZ -0.38782 -0.68930 0.03803 -0.54792 -0.83989 10 4XX 0.14740 0.03027 -0.03533 0.20758 0.05016 11 4YY -0.04490 -0.07791 0.03741 -0.07442 0.00714 12 4ZZ -0.11626 0.00342 -0.03370 -0.14436 -0.06459 13 4XY 0.01052 -0.03766 0.25409 -0.00261 0.01535 14 4XZ 0.10690 0.01953 0.18616 0.00472 0.01448 15 4YZ 0.10254 0.14850 -0.08578 0.09061 -0.06502 16 2 H 1S -0.06466 -0.25066 -0.19617 -0.00856 -0.13868 17 2S -0.22009 -0.43219 -0.27305 0.00669 -0.19650 18 3 C 1S -0.00001 -0.03416 0.00420 0.00385 0.00339 19 2S -0.06270 -0.63086 -0.15346 0.09939 -0.13751 20 2PX 0.05033 -0.00827 -0.08895 0.03796 -0.19639 21 2PY -0.06091 -0.00129 -0.08888 0.00144 -0.07035 22 2PZ -0.08099 -0.14289 -0.10378 0.05481 -0.03982 23 3S -0.34785 4.16380 -0.46486 -1.29764 -0.48092 24 3PX 0.08188 1.46137 0.15017 -0.99537 0.17978 25 3PY 0.49778 2.49447 0.54013 0.16340 0.59551 26 3PZ 0.27497 2.11319 0.14299 -1.13912 0.31873 27 4XX -0.21123 -0.12329 0.07433 -0.14260 0.17050 28 4YY 0.00852 0.00994 0.00941 0.01633 -0.07033 29 4ZZ 0.16876 0.11278 -0.07830 0.12414 -0.07488 30 4XY -0.03955 -0.01268 -0.09507 -0.01622 0.42478 31 4XZ 0.00126 -0.00782 -0.00429 -0.04653 0.09821 32 4YZ -0.03351 0.02774 0.17962 -0.03405 -0.26609 33 4 H 1S 0.17031 0.44256 0.09235 -0.12979 0.09592 34 2S 0.18615 0.85216 0.23703 -0.35059 0.29642 35 5 C 1S -0.00001 0.03416 0.00420 -0.00385 0.00339 36 2S -0.06269 0.63087 -0.15346 -0.09939 -0.13751 37 2PX 0.05033 0.00827 -0.08895 -0.03796 -0.19639 38 2PY 0.06091 -0.00129 0.08888 0.00145 0.07035 39 2PZ -0.08099 0.14289 -0.10377 -0.05481 -0.03982 40 3S -0.34788 -4.16380 -0.46485 1.29763 -0.48092 41 3PX 0.08187 -1.46137 0.15017 0.99537 0.17978 42 3PY -0.49778 2.49456 -0.54015 0.16335 -0.59553 43 3PZ 0.27494 -2.11309 0.14298 1.13913 0.31871 44 4XX -0.21122 0.12330 0.07432 0.14260 0.17050 45 4YY 0.00852 -0.00994 0.00942 -0.01633 -0.07034 46 4ZZ 0.16876 -0.11278 -0.07831 -0.12414 -0.07486 47 4XY 0.03955 -0.01268 0.09507 -0.01622 -0.42479 48 4XZ 0.00126 0.00782 -0.00428 0.04653 0.09819 49 4YZ 0.03350 0.02774 -0.17962 -0.03404 0.26609 50 6 H 1S 0.17031 -0.44256 0.09235 0.12979 0.09592 51 2S 0.18614 -0.85217 0.23703 0.35059 0.29642 52 7 C 1S -0.00106 -0.00081 -0.03063 0.03114 -0.00607 53 2S 0.01600 -0.20900 -0.35371 0.64134 0.04275 54 2PX 0.05016 -0.19410 -0.06786 0.11834 -0.00947 55 2PY -0.07910 0.06703 -0.03649 -0.04191 -0.03941 56 2PZ -0.00580 -0.09660 0.03728 -0.03271 0.02640 57 3S -0.02199 2.13875 1.31294 -2.40626 -0.17835 58 3PX -0.27392 0.16722 -0.12628 0.12801 -0.23794 59 3PY 0.49499 -1.88723 0.33185 0.76044 0.54532 60 3PZ -0.38780 0.68923 0.03804 0.54795 -0.83987 61 4XX 0.14740 -0.03027 -0.03533 -0.20758 0.05016 62 4YY -0.04490 0.07790 0.03740 0.07441 0.00714 63 4ZZ -0.11626 -0.00341 -0.03370 0.14437 -0.06458 64 4XY -0.01053 -0.03766 -0.25409 -0.00261 -0.01535 65 4XZ 0.10690 -0.01953 0.18615 -0.00472 0.01448 66 4YZ -0.10254 0.14850 0.08578 0.09061 0.06502 67 8 H 1S -0.06466 0.25066 -0.19617 0.00856 -0.13868 68 2S -0.22009 0.43219 -0.27305 -0.00669 -0.19650 69 9 C 1S -0.00878 -0.01125 0.02547 -0.00802 -0.01519 70 2S -0.07679 -0.10902 0.31942 -0.14602 -0.17854 71 2PX -0.11641 -0.14119 -0.01976 0.00557 -0.05065 72 2PY 0.01540 0.00989 0.01877 -0.03490 -0.04836 73 2PZ -0.02684 -0.05507 0.00835 0.10762 -0.09708 74 3S 0.60618 1.66289 -0.92397 -0.13047 0.98788 75 3PX 0.27274 0.75647 0.15989 -0.29080 0.03772 76 3PY -0.14025 0.05684 0.25708 -0.06390 -0.19493 77 3PZ -0.15555 -0.73082 0.07797 0.12547 -0.26384 78 4XX -0.08181 -0.09646 -0.15999 0.01250 0.03918 79 4YY -0.02741 -0.00412 0.03119 -0.01738 0.05395 80 4ZZ 0.09956 0.10359 0.15503 -0.01155 -0.09875 81 4XY -0.16103 -0.02405 -0.28762 -0.04551 -0.05581 82 4XZ -0.09815 -0.01797 -0.20214 -0.06224 -0.13137 83 4YZ 0.04303 0.00998 0.06544 -0.02535 0.19132 84 10 H 1S -0.01879 0.13076 0.14749 -0.17149 -0.01190 85 2S 0.07832 0.20086 0.12145 -0.03245 -0.03454 86 11 H 1S -0.01750 -0.18247 0.06175 -0.03251 -0.07638 87 2S -0.28472 -0.32812 0.15940 0.17296 -0.09892 88 12 C 1S -0.00878 0.01125 0.02547 0.00802 -0.01519 89 2S -0.07679 0.10902 0.31942 0.14602 -0.17855 90 2PX -0.11641 0.14119 -0.01976 -0.00557 -0.05065 91 2PY -0.01540 0.00989 -0.01877 -0.03489 0.04836 92 2PZ -0.02684 0.05507 0.00835 -0.10762 -0.09708 93 3S 0.60617 -1.66289 -0.92396 0.13046 0.98789 94 3PX 0.27274 -0.75647 0.15990 0.29080 0.03772 95 3PY 0.14025 0.05681 -0.25708 -0.06390 0.19493 96 3PZ -0.15554 0.73083 0.07795 -0.12548 -0.26383 97 4XX -0.08181 0.09646 -0.15999 -0.01250 0.03918 98 4YY -0.02741 0.00412 0.03119 0.01738 0.05396 99 4ZZ 0.09956 -0.10359 0.15503 0.01155 -0.09876 100 4XY 0.16104 -0.02405 0.28763 -0.04551 0.05582 101 4XZ -0.09814 0.01797 -0.20213 0.06224 -0.13137 102 4YZ -0.04303 0.00999 -0.06545 -0.02535 -0.19131 103 13 H 1S -0.01879 -0.13076 0.14749 0.17149 -0.01190 104 2S 0.07832 -0.20086 0.12145 0.03245 -0.03454 105 14 H 1S -0.01750 0.18247 0.06175 0.03251 -0.07638 106 2S -0.28472 0.32812 0.15940 -0.17296 -0.09892 107 15 C 1S 0.00074 0.00000 -0.00743 0.00000 -0.00682 108 2S 0.01634 0.00000 -0.12548 0.00000 -0.07193 109 2PX -0.00488 0.00000 0.01573 0.00000 -0.06208 110 2PY 0.00000 -0.03485 0.00000 -0.22520 0.00000 111 2PZ 0.03081 0.00000 -0.04164 0.00000 -0.01870 112 3S 0.03849 0.00000 0.46531 0.00000 0.66529 113 3PX 0.12277 0.00000 -0.11298 0.00000 0.01771 114 3PY 0.00001 -0.28309 0.00000 -0.72635 0.00000 115 3PZ -0.34182 0.00000 0.18419 -0.00001 -0.18306 116 4XX -0.09718 0.00000 0.02632 0.00000 -0.03335 117 4YY 0.02025 -0.00001 0.02671 0.00000 0.04150 118 4ZZ 0.08013 0.00001 -0.04832 0.00000 -0.00088 119 4XY 0.00000 -0.21199 0.00000 0.06641 0.00000 120 4XZ 0.03031 0.00000 -0.04432 0.00000 0.03235 121 4YZ 0.00000 0.27131 0.00000 0.09134 0.00000 122 16 C 1S -0.00381 -0.01660 0.00716 0.02111 -0.00047 123 2S 0.00439 0.08828 0.14033 0.09085 0.17218 124 2PX 0.01503 -0.10459 -0.06916 0.00587 -0.07964 125 2PY -0.03599 -0.01778 0.00621 -0.03433 -0.05614 126 2PZ 0.01499 0.08279 0.02820 0.02016 0.02916 127 3S -0.11257 0.18953 -0.34454 0.74529 -0.30776 128 3PX -0.06454 0.01932 0.08187 0.98327 0.21227 129 3PY 0.12178 0.28255 0.09933 0.90158 0.22881 130 3PZ -0.07462 -0.57126 -0.02744 0.70289 0.03657 131 4XX 0.21502 -0.10737 -0.09949 0.02322 -0.07297 132 4YY -0.00055 -0.00399 0.03983 0.00396 0.03297 133 4ZZ -0.22865 0.06503 0.04315 0.06358 0.00140 134 4XY -0.14659 -0.01617 0.06084 -0.00408 -0.02554 135 4XZ -0.02637 0.04680 0.02053 -0.01962 0.01797 136 4YZ 0.19401 -0.04290 -0.07857 0.04873 0.01806 137 17 C 1S -0.00381 0.01660 0.00716 -0.02111 -0.00047 138 2S 0.00439 -0.08827 0.14033 -0.09085 0.17218 139 2PX 0.01503 0.10459 -0.06916 -0.00587 -0.07965 140 2PY 0.03599 -0.01778 -0.00621 -0.03433 0.05614 141 2PZ 0.01499 -0.08279 0.02821 -0.02016 0.02917 142 3S -0.11258 -0.18953 -0.34454 -0.74529 -0.30776 143 3PX -0.06454 -0.01932 0.08187 -0.98327 0.21228 144 3PY -0.12177 0.28253 -0.09932 0.90161 -0.22881 145 3PZ -0.07461 0.57126 -0.02745 -0.70285 0.03656 146 4XX 0.21502 0.10737 -0.09949 -0.02322 -0.07297 147 4YY -0.00054 0.00399 0.03982 -0.00396 0.03297 148 4ZZ -0.22866 -0.06503 0.04316 -0.06357 0.00140 149 4XY 0.14659 -0.01617 -0.06084 -0.00408 0.02554 150 4XZ -0.02637 -0.04680 0.02053 0.01962 0.01797 151 4YZ -0.19400 -0.04289 0.07857 0.04874 -0.01806 152 18 H 1S -0.02911 0.00000 -0.03793 0.00000 -0.03858 153 2S -0.02218 0.00000 -0.00246 0.00000 -0.13443 154 19 H 1S -0.01359 -0.10258 0.05904 0.24379 0.04609 155 2S 0.03318 -0.14197 0.06968 0.38026 0.11083 156 20 H 1S -0.01359 0.10258 0.05904 -0.24379 0.04609 157 2S 0.03318 0.14197 0.06968 -0.38026 0.11083 158 21 H 1S 0.01683 0.00000 -0.03692 0.00000 -0.03038 159 2S 0.19134 0.00000 -0.23564 0.00000 -0.00640 160 22 O 1S -0.00041 -0.00261 -0.00128 -0.05076 0.01116 161 2S -0.04572 0.00002 0.00733 -0.82332 0.14874 162 2PX 0.08892 -0.12812 0.00097 -0.02277 0.03664 163 2PY -0.02576 0.04648 -0.00152 0.19768 -0.05598 164 2PZ -0.02727 -0.03064 0.04204 -0.07313 -0.00274 165 3S 0.09526 -0.03238 -0.00499 2.36689 -0.47569 166 3PX -0.27626 0.39649 -0.05286 0.04331 -0.15543 167 3PY 0.09982 -0.14711 0.02814 -0.79109 0.27396 168 3PZ 0.13895 0.08186 -0.17961 0.16058 -0.03695 169 4XX -0.22357 -0.16256 0.08906 -0.13915 0.05502 170 4YY 0.02322 -0.01325 -0.04503 -0.39743 0.04835 171 4ZZ 0.15853 0.16974 -0.04357 -0.10224 0.01049 172 4XY -0.08474 0.11690 0.01309 -0.03640 -0.01813 173 4XZ 0.08442 0.00774 -0.03148 -0.15583 0.03348 174 4YZ 0.12884 -0.05690 -0.06727 0.03015 -0.01965 175 23 O 1S -0.00041 0.00261 -0.00128 0.05076 0.01116 176 2S -0.04572 -0.00002 0.00732 0.82332 0.14873 177 2PX 0.08892 0.12812 0.00097 0.02277 0.03664 178 2PY 0.02576 0.04648 0.00152 0.19767 0.05598 179 2PZ -0.02727 0.03064 0.04204 0.07314 -0.00274 180 3S 0.09526 0.03238 -0.00498 -2.36689 -0.47568 181 3PX -0.27626 -0.39649 -0.05286 -0.04332 -0.15543 182 3PY -0.09983 -0.14710 -0.02813 -0.79109 -0.27396 183 3PZ 0.13894 -0.08187 -0.17961 -0.16061 -0.03696 184 4XX -0.22357 0.16256 0.08906 0.13915 0.05502 185 4YY 0.02323 0.01325 -0.04504 0.39743 0.04835 186 4ZZ 0.15852 -0.16975 -0.04357 0.10224 0.01049 187 4XY 0.08474 0.11689 -0.01309 -0.03641 0.01813 188 4XZ 0.08443 -0.00774 -0.03148 0.15583 0.03348 189 4YZ -0.12885 -0.05689 0.06727 0.03016 0.01965 126 127 128 129 130 V V V V V Eigenvalues -- 1.58531 1.63999 1.66109 1.72044 1.72342 1 1 C 1S -0.06585 -0.00884 -0.02090 -0.00379 -0.00654 2 2S -0.86152 -0.21281 -0.24306 0.00594 -0.14045 3 2PX -0.12200 -0.04610 -0.02962 0.01770 0.00299 4 2PY 0.03385 -0.05603 -0.01736 0.01744 -0.04921 5 2PZ 0.06053 0.11512 0.03243 0.09041 -0.03196 6 3S 2.89480 -0.70136 0.02464 0.21340 0.44712 7 3PX 0.56277 0.18131 0.19362 0.07328 0.04845 8 3PY -0.24657 -0.40119 -0.29758 0.31084 0.56071 9 3PZ 0.09287 -0.11823 -0.17434 0.12389 -0.11847 10 4XX 0.01462 -0.21310 -0.09796 0.05636 0.09150 11 4YY -0.05879 0.01234 -0.03550 -0.02360 -0.08415 12 4ZZ -0.01468 0.20041 0.09826 -0.01150 0.00680 13 4XY -0.13104 0.18237 0.08478 -0.04359 -0.02080 14 4XZ -0.08626 -0.04659 0.01108 -0.09245 -0.04629 15 4YZ 0.10409 -0.21164 -0.09613 -0.16260 0.01165 16 2 H 1S -0.40056 0.01176 -0.04642 0.09509 0.09165 17 2S -0.42924 -0.12551 -0.12479 0.08767 0.24746 18 3 C 1S 0.00886 -0.01621 -0.01319 0.00180 0.00715 19 2S 0.08472 -0.44149 -0.29761 0.04316 0.01898 20 2PX -0.01935 -0.14540 -0.08119 0.00715 -0.00714 21 2PY -0.03675 -0.02995 0.00643 0.10089 0.03041 22 2PZ -0.01439 -0.03087 -0.01757 -0.01861 -0.04835 23 3S -0.58729 1.82284 1.23403 0.06927 -0.30089 24 3PX -0.22970 1.09016 0.48662 -0.06767 -0.19705 25 3PY 0.24824 0.85211 0.67212 -0.29126 -0.08740 26 3PZ -0.11420 1.25683 0.61031 -0.08913 -0.08377 27 4XX -0.04494 0.24397 0.08629 -0.01687 -0.17762 28 4YY 0.03285 -0.01243 0.00087 -0.09011 -0.00061 29 4ZZ 0.04305 -0.20708 -0.08505 0.11952 0.20297 30 4XY 0.07918 0.01586 -0.01734 -0.12176 -0.03226 31 4XZ 0.03926 -0.06681 -0.03817 -0.04702 -0.02561 32 4YZ 0.04071 0.09580 0.05269 0.01506 0.00591 33 4 H 1S -0.02223 0.27178 0.14153 -0.03415 -0.03786 34 2S 0.01967 0.52926 0.24152 -0.09396 -0.04128 35 5 C 1S 0.00886 0.01621 0.01319 0.00180 0.00715 36 2S 0.08472 0.44149 0.29761 0.04316 0.01898 37 2PX -0.01935 0.14540 0.08119 0.00715 -0.00714 38 2PY 0.03675 -0.02995 0.00643 -0.10089 -0.03041 39 2PZ -0.01439 0.03087 0.01757 -0.01861 -0.04835 40 3S -0.58729 -1.82284 -1.23403 0.06927 -0.30088 41 3PX -0.22970 -1.09016 -0.48662 -0.06767 -0.19704 42 3PY -0.24823 0.85216 0.67214 0.29126 0.08741 43 3PZ -0.11422 -1.25680 -0.61028 -0.08912 -0.08377 44 4XX -0.04495 -0.24397 -0.08629 -0.01687 -0.17762 45 4YY 0.03285 0.01242 -0.00087 -0.09011 -0.00061 46 4ZZ 0.04304 0.20708 0.08505 0.11952 0.20297 47 4XY -0.07918 0.01586 -0.01734 0.12176 0.03226 48 4XZ 0.03925 0.06681 0.03817 -0.04701 -0.02561 49 4YZ -0.04071 0.09580 0.05268 -0.01507 -0.00592 50 6 H 1S -0.02223 -0.27178 -0.14153 -0.03415 -0.03786 51 2S 0.01967 -0.52926 -0.24152 -0.09396 -0.04128 52 7 C 1S -0.06585 0.00885 0.02090 -0.00379 -0.00654 53 2S -0.86152 0.21282 0.24306 0.00594 -0.14045 54 2PX -0.12200 0.04610 0.02962 0.01770 0.00299 55 2PY -0.03385 -0.05603 -0.01736 -0.01744 0.04921 56 2PZ 0.06053 -0.11512 -0.03243 0.09041 -0.03196 57 3S 2.89480 0.70135 -0.02464 0.21339 0.44712 58 3PX 0.56277 -0.18131 -0.19362 0.07328 0.04846 59 3PY 0.24657 -0.40120 -0.29758 -0.31084 -0.56071 60 3PZ 0.09288 0.11821 0.17433 0.12388 -0.11848 61 4XX 0.01463 0.21310 0.09796 0.05636 0.09150 62 4YY -0.05879 -0.01233 0.03551 -0.02361 -0.08415 63 4ZZ -0.01469 -0.20043 -0.09826 -0.01149 0.00680 64 4XY 0.13104 0.18237 0.08478 0.04359 0.02080 65 4XZ -0.08625 0.04660 -0.01107 -0.09245 -0.04629 66 4YZ -0.10410 -0.21163 -0.09612 0.16260 -0.01166 67 8 H 1S -0.40056 -0.01176 0.04642 0.09509 0.09165 68 2S -0.42924 0.12551 0.12479 0.08767 0.24746 69 9 C 1S 0.02591 -0.00195 -0.01450 0.01469 0.00472 70 2S 0.33623 -0.04623 -0.26317 0.19163 0.08342 71 2PX 0.02973 -0.06849 -0.04864 0.04069 0.00013 72 2PY -0.00507 -0.00561 0.01057 -0.07059 0.04896 73 2PZ 0.05336 0.03427 0.02592 -0.06373 -0.05724 74 3S -1.44970 0.34983 0.94866 -0.57968 -0.14165 75 3PX 0.02107 0.41034 0.21781 -0.11533 0.01412 76 3PY 0.48959 0.20975 0.30310 0.12997 -0.17192 77 3PZ 0.32285 -0.20115 -0.00173 0.24860 0.19678 78 4XX -0.03709 -0.00066 0.00060 -0.04812 0.08645 79 4YY 0.01477 0.02182 0.01094 0.20141 0.05175 80 4ZZ 0.03338 -0.01296 -0.01291 -0.13250 -0.14719 81 4XY 0.00071 0.05658 0.00546 -0.04802 0.05434 82 4XZ 0.12913 -0.07515 -0.04106 -0.07492 -0.04519 83 4YZ -0.21143 0.06638 0.06011 -0.10798 0.20438 84 10 H 1S 0.13092 0.04098 -0.04359 0.00955 0.03394 85 2S 0.13306 0.18514 0.02261 -0.03751 -0.05584 86 11 H 1S 0.10228 -0.11413 -0.05493 0.01338 0.05452 87 2S 0.14284 -0.01886 -0.21783 0.17277 -0.08150 88 12 C 1S 0.02591 0.00195 0.01450 0.01469 0.00472 89 2S 0.33623 0.04623 0.26317 0.19163 0.08343 90 2PX 0.02973 0.06849 0.04864 0.04069 0.00013 91 2PY 0.00507 -0.00561 0.01057 0.07059 -0.04896 92 2PZ 0.05336 -0.03427 -0.02592 -0.06373 -0.05725 93 3S -1.44970 -0.34982 -0.94866 -0.57967 -0.14168 94 3PX 0.02107 -0.41034 -0.21781 -0.11533 0.01412 95 3PY -0.48960 0.20974 0.30310 -0.12998 0.17192 96 3PZ 0.32283 0.20116 0.00174 0.24860 0.19679 97 4XX -0.03709 0.00066 -0.00060 -0.04812 0.08645 98 4YY 0.01476 -0.02182 -0.01095 0.20140 0.05176 99 4ZZ 0.03339 0.01296 0.01292 -0.13249 -0.14720 100 4XY -0.00071 0.05657 0.00545 0.04802 -0.05434 101 4XZ 0.12913 0.07515 0.04106 -0.07491 -0.04519 102 4YZ 0.21143 0.06638 0.06011 0.10800 -0.20437 103 13 H 1S 0.13092 -0.04098 0.04359 0.00955 0.03394 104 2S 0.13306 -0.18515 -0.02261 -0.03751 -0.05584 105 14 H 1S 0.10228 0.11413 0.05493 0.01338 0.05452 106 2S 0.14284 0.01886 0.21783 0.17277 -0.08150 107 15 C 1S -0.04133 0.00000 0.00000 -0.05840 -0.02190 108 2S -0.49555 0.00000 0.00000 -0.84460 -0.20615 109 2PX 0.01204 0.00000 0.00000 -0.02711 -0.06461 110 2PY 0.00000 -0.01600 -0.08175 0.00000 0.00000 111 2PZ -0.09207 0.00000 0.00000 -0.07415 -0.13709 112 3S 2.24358 0.00000 0.00000 3.62505 1.60465 113 3PX -0.26797 0.00000 0.00000 -0.60154 -0.20792 114 3PY 0.00000 0.03154 -0.23330 0.00001 0.00000 115 3PZ -0.11189 0.00000 0.00000 -0.76187 0.10964 116 4XX 0.02130 0.00000 0.00000 -0.00156 -0.11156 117 4YY 0.05038 0.00000 0.00000 0.14093 0.23144 118 4ZZ -0.03712 0.00000 0.00000 -0.11788 -0.09506 119 4XY 0.00000 0.03201 -0.10568 0.00000 0.00000 120 4XZ -0.01872 0.00000 0.00000 0.19832 -0.22653 121 4YZ 0.00000 -0.04261 0.13029 0.00001 0.00001 122 16 C 1S 0.04040 0.01152 0.02962 0.00002 0.02805 123 2S 0.60436 0.17830 0.43691 -0.07039 0.23452 124 2PX -0.05271 -0.03005 -0.15245 0.05061 -0.06211 125 2PY -0.06550 0.02312 -0.05147 -0.06818 -0.02266 126 2PZ 0.00406 -0.03319 0.03689 -0.00801 0.05290 127 3S -1.95160 -0.16180 -1.51078 0.29965 -1.27059 128 3PX -0.02017 0.73272 0.44814 0.16653 -0.10957 129 3PY 0.80078 -0.35688 0.20487 0.04242 0.70144 130 3PZ -0.31306 0.42161 0.50423 0.12448 0.00461 131 4XX -0.13151 -0.09402 0.25049 0.00256 0.10736 132 4YY 0.01156 0.00610 0.00871 0.02817 -0.02755 133 4ZZ 0.14563 0.11787 -0.23974 -0.03001 -0.03010 134 4XY -0.13906 -0.06846 0.04773 0.04181 0.33945 135 4XZ -0.05059 0.04512 -0.06151 0.05989 -0.19642 136 4YZ 0.14718 0.01671 0.15471 0.04144 -0.13419 137 17 C 1S 0.04040 -0.01152 -0.02962 0.00002 0.02805 138 2S 0.60436 -0.17831 -0.43691 -0.07039 0.23452 139 2PX -0.05271 0.03005 0.15245 0.05061 -0.06211 140 2PY 0.06550 0.02312 -0.05146 0.06818 0.02266 141 2PZ 0.00406 0.03319 -0.03690 -0.00800 0.05291 142 3S -1.95159 0.16181 1.51078 0.29965 -1.27059 143 3PX -0.02017 -0.73272 -0.44814 0.16653 -0.10957 144 3PY -0.80078 -0.35686 0.20489 -0.04243 -0.70144 145 3PZ -0.31310 -0.42162 -0.50422 0.12448 0.00459 146 4XX -0.13151 0.09402 -0.25049 0.00256 0.10736 147 4YY 0.01157 -0.00610 -0.00873 0.02817 -0.02756 148 4ZZ 0.14562 -0.11787 0.23975 -0.03002 -0.03009 149 4XY 0.13906 -0.06845 0.04773 -0.04182 -0.33945 150 4XZ -0.05058 -0.04512 0.06151 0.05988 -0.19643 151 4YZ -0.14719 0.01671 0.15469 -0.04144 0.13419 152 18 H 1S -0.23758 0.00000 0.00000 -0.28516 -0.09812 153 2S -0.17540 0.00000 0.00000 -0.31561 -0.10313 154 19 H 1S 0.16765 0.00466 0.34682 -0.04739 0.33493 155 2S 0.33031 0.10407 0.44350 0.02258 0.31102 156 20 H 1S 0.16765 -0.00466 -0.34682 -0.04739 0.33493 157 2S 0.33031 -0.10407 -0.44350 0.02258 0.31103 158 21 H 1S -0.18728 0.00000 0.00000 -0.12614 -0.17730 159 2S -0.33603 0.00000 0.00000 -0.33186 -0.27370 160 22 O 1S -0.00354 -0.02179 0.00016 0.05705 -0.00339 161 2S -0.06708 -0.45275 0.05977 0.81997 0.01219 162 2PX 0.13681 0.07074 -0.01650 0.03075 0.04643 163 2PY -0.08830 0.05001 -0.02750 -0.07790 -0.15160 164 2PZ 0.12577 0.05566 -0.10645 -0.02447 0.07602 165 3S 0.23673 1.24077 -0.04595 -2.75058 0.08296 166 3PX -0.73374 -0.35975 0.25333 -0.19577 -0.55463 167 3PY 0.42528 -0.15273 -0.05193 0.89462 0.48596 168 3PZ -0.60155 -0.22880 0.24528 -0.12097 -0.58488 169 4XX 0.00872 -0.20349 0.27272 0.14539 0.00324 170 4YY -0.08098 -0.11502 -0.10896 0.38300 -0.10104 171 4ZZ 0.02453 0.01753 -0.14053 0.03593 0.11408 172 4XY 0.01822 -0.13343 0.15336 0.04225 -0.14746 173 4XZ -0.05819 -0.10993 -0.01001 0.24468 -0.08075 174 4YZ -0.08771 0.15771 -0.29335 -0.07005 -0.05628 175 23 O 1S -0.00354 0.02179 -0.00016 0.05705 -0.00339 176 2S -0.06708 0.45275 -0.05977 0.81997 0.01219 177 2PX 0.13681 -0.07074 0.01650 0.03075 0.04643 178 2PY 0.08829 0.05001 -0.02750 0.07790 0.15160 179 2PZ 0.12577 -0.05566 0.10645 -0.02446 0.07602 180 3S 0.23673 -1.24078 0.04595 -2.75058 0.08296 181 3PX -0.73374 0.35975 -0.25333 -0.19577 -0.55463 182 3PY -0.42526 -0.15274 -0.05192 -0.89461 -0.48594 183 3PZ -0.60157 0.22880 -0.24528 -0.12100 -0.58489 184 4XX 0.00872 0.20349 -0.27272 0.14539 0.00324 185 4YY -0.08098 0.11501 0.10898 0.38300 -0.10104 186 4ZZ 0.02453 -0.01752 0.14051 0.03594 0.11409 187 4XY -0.01822 -0.13343 0.15336 -0.04226 0.14746 188 4XZ -0.05819 0.10993 0.01002 0.24468 -0.08075 189 4YZ 0.08771 0.15772 -0.29335 0.07006 0.05627 131 132 133 134 135 V V V V V Eigenvalues -- 1.75844 1.77089 1.79419 1.86000 1.87778 1 1 C 1S 0.02083 0.00894 0.01305 -0.01184 -0.00028 2 2S 0.21966 -0.15007 0.42520 0.02956 -0.08287 3 2PX -0.01555 -0.10628 0.05179 0.04973 -0.09436 4 2PY -0.08119 -0.01623 0.17803 0.05542 0.03124 5 2PZ -0.16314 -0.16018 0.07982 0.02017 -0.01126 6 3S -1.44400 0.16630 -1.04182 0.80912 0.31584 7 3PX -0.50938 0.19358 0.05046 -0.53068 0.05476 8 3PY -0.00280 0.12667 -1.24031 0.64365 0.40484 9 3PZ -0.64801 0.22909 -0.24894 0.03754 -0.19181 10 4XX -0.03788 0.00110 0.03389 0.00840 0.15841 11 4YY 0.00262 -0.04575 -0.07293 -0.12210 -0.12118 12 4ZZ -0.01895 0.08850 0.02360 0.11678 0.04442 13 4XY -0.13104 0.12431 0.15864 -0.36432 0.14602 14 4XZ 0.14277 0.03968 -0.01952 -0.33690 -0.15217 15 4YZ -0.03598 0.24408 -0.06020 -0.09694 -0.01490 16 2 H 1S 0.13468 0.06205 -0.09442 0.13470 0.14745 17 2S 0.17792 -0.00715 -0.38269 0.15260 0.13375 18 3 C 1S 0.01122 0.00162 0.00062 0.01333 0.01748 19 2S 0.12814 -0.04613 0.03932 -0.04263 0.13394 20 2PX -0.01439 0.02878 0.06883 -0.03668 0.04032 21 2PY 0.00468 -0.10434 -0.07960 -0.10487 0.01538 22 2PZ -0.02006 0.05753 0.12896 -0.06128 0.05688 23 3S -0.66199 0.03723 0.15219 -1.12898 -0.50205 24 3PX -0.42166 -0.01482 0.38260 -0.36596 -0.20970 25 3PY -0.18900 0.12013 0.49074 -0.44237 0.04658 26 3PZ -0.38546 -0.05087 0.43233 -0.50672 -0.14991 27 4XX -0.00192 -0.02478 0.17811 -0.03265 0.00844 28 4YY -0.01884 0.17840 -0.02462 -0.12605 0.01560 29 4ZZ -0.02469 -0.15695 -0.15862 0.13246 0.04047 30 4XY -0.03992 0.08696 0.00661 0.05160 0.00708 31 4XZ 0.11770 -0.10982 -0.22737 0.01495 -0.29000 32 4YZ 0.01845 0.01903 -0.20113 -0.00362 -0.00604 33 4 H 1S -0.12094 0.05675 0.39238 -0.13903 0.12566 34 2S -0.17671 0.00011 0.22489 -0.18607 -0.04272 35 5 C 1S -0.01122 0.00162 0.00062 -0.01333 0.01748 36 2S -0.12814 -0.04613 0.03932 0.04263 0.13394 37 2PX 0.01439 0.02878 0.06883 0.03668 0.04032 38 2PY 0.00468 0.10433 0.07959 -0.10487 -0.01538 39 2PZ 0.02006 0.05753 0.12896 0.06128 0.05688 40 3S 0.66200 0.03723 0.15219 1.12898 -0.50205 41 3PX 0.42166 -0.01482 0.38260 0.36596 -0.20970 42 3PY -0.18902 -0.12013 -0.49076 -0.44239 -0.04657 43 3PZ 0.38546 -0.05088 0.43231 0.50670 -0.14991 44 4XX 0.00192 -0.02478 0.17811 0.03265 0.00844 45 4YY 0.01884 0.17840 -0.02463 0.12605 0.01560 46 4ZZ 0.02469 -0.15695 -0.15861 -0.13246 0.04048 47 4XY -0.03991 -0.08696 -0.00661 0.05160 -0.00707 48 4XZ -0.11770 -0.10982 -0.22737 -0.01495 -0.29001 49 4YZ 0.01845 -0.01901 0.20114 -0.00361 0.00604 50 6 H 1S 0.12094 0.05675 0.39238 0.13903 0.12567 51 2S 0.17671 0.00011 0.22489 0.18607 -0.04271 52 7 C 1S -0.02083 0.00894 0.01305 0.01184 -0.00028 53 2S -0.21966 -0.15007 0.42521 -0.02956 -0.08287 54 2PX 0.01555 -0.10628 0.05179 -0.04973 -0.09436 55 2PY -0.08120 0.01624 -0.17803 0.05542 -0.03124 56 2PZ 0.16314 -0.16018 0.07981 -0.02017 -0.01126 57 3S 1.44400 0.16630 -1.04182 -0.80911 0.31584 58 3PX 0.50938 0.19358 0.05046 0.53068 0.05476 59 3PY -0.00282 -0.12668 1.24032 0.64365 -0.40483 60 3PZ 0.64801 0.22908 -0.24890 -0.03751 -0.19182 61 4XX 0.03788 0.00110 0.03389 -0.00840 0.15841 62 4YY -0.00261 -0.04574 -0.07293 0.12210 -0.12118 63 4ZZ 0.01895 0.08848 0.02361 -0.11678 0.04442 64 4XY -0.13104 -0.12431 -0.15864 -0.36433 -0.14601 65 4XZ -0.14277 0.03968 -0.01952 0.33689 -0.15218 66 4YZ -0.03598 -0.24409 0.06020 -0.09693 0.01489 67 8 H 1S -0.13468 0.06205 -0.09442 -0.13470 0.14745 68 2S -0.17792 -0.00715 -0.38269 -0.15260 0.13375 69 9 C 1S -0.12518 -0.00035 -0.00846 0.00080 -0.00965 70 2S -1.56376 0.14149 -0.14164 0.27158 -0.08499 71 2PX -0.02244 0.05759 0.02208 -0.12186 0.03198 72 2PY 0.06202 0.22714 -0.09263 0.00463 0.05462 73 2PZ 0.12569 0.09401 0.00630 -0.05124 0.02298 74 3S 5.60515 -0.22442 0.61782 -0.87341 0.29314 75 3PX 0.03128 -0.14688 -0.25633 1.41133 -0.02939 76 3PY 0.91711 -0.24906 0.20180 -0.29295 -0.22998 77 3PZ -0.81732 0.02763 -0.31809 0.05405 0.08190 78 4XX -0.02089 0.10455 -0.10915 0.23054 0.11899 79 4YY 0.02761 -0.30978 -0.03432 0.03630 -0.07209 80 4ZZ -0.05483 0.19218 0.16304 -0.28340 -0.03570 81 4XY -0.00576 0.11445 -0.01440 0.26259 -0.02212 82 4XZ -0.08593 0.09074 0.10702 -0.01457 -0.06957 83 4YZ 0.13251 0.16742 -0.36425 0.03476 0.02340 84 10 H 1S -0.40226 -0.04098 -0.08462 0.20809 -0.09655 85 2S -0.24800 -0.03880 -0.03965 0.39228 -0.06898 86 11 H 1S -0.43475 0.00265 -0.03725 -0.28151 -0.05734 87 2S -0.33045 0.06394 0.15438 -0.34538 -0.13417 88 12 C 1S 0.12518 -0.00035 -0.00846 -0.00080 -0.00965 89 2S 1.56376 0.14149 -0.14165 -0.27158 -0.08499 90 2PX 0.02244 0.05759 0.02208 0.12186 0.03198 91 2PY 0.06203 -0.22714 0.09263 0.00463 -0.05462 92 2PZ -0.12569 0.09400 0.00630 0.05124 0.02298 93 3S -5.60515 -0.22442 0.61784 0.87341 0.29313 94 3PX -0.03128 -0.14688 -0.25634 -1.41133 -0.02940 95 3PY 0.91707 0.24906 -0.20179 -0.29294 0.22997 96 3PZ 0.81735 0.02764 -0.31810 -0.05406 0.08191 97 4XX 0.02089 0.10455 -0.10915 -0.23054 0.11899 98 4YY -0.02762 -0.30977 -0.03434 -0.03630 -0.07209 99 4ZZ 0.05484 0.19217 0.16307 0.28340 -0.03570 100 4XY -0.00576 -0.11446 0.01440 0.26259 0.02212 101 4XZ 0.08593 0.09074 0.10702 0.01458 -0.06957 102 4YZ 0.13251 -0.16744 0.36424 0.03475 -0.02340 103 13 H 1S 0.40226 -0.04098 -0.08462 -0.20809 -0.09655 104 2S 0.24800 -0.03880 -0.03965 -0.39229 -0.06898 105 14 H 1S 0.43475 0.00265 -0.03725 0.28151 -0.05734 106 2S 0.33045 0.06394 0.15438 0.34538 -0.13417 107 15 C 1S 0.00000 -0.02977 0.01146 0.00000 -0.03006 108 2S 0.00000 -0.45855 0.14946 0.00000 -0.28463 109 2PX 0.00000 0.02921 -0.09250 0.00000 0.07303 110 2PY 0.10026 0.00000 0.00000 0.01890 0.00000 111 2PZ 0.00000 -0.06272 -0.04586 0.00000 0.02805 112 3S 0.00000 1.87797 0.00907 0.00000 0.93830 113 3PX 0.00000 -0.31815 0.12496 0.00000 -0.72136 114 3PY 0.19509 0.00001 0.00000 -0.01325 0.00000 115 3PZ 0.00000 -0.47318 0.13207 0.00000 0.04947 116 4XX 0.00000 0.03864 -0.15256 0.00000 0.15345 117 4YY 0.00000 0.15514 0.19580 0.00000 -0.39589 118 4ZZ 0.00000 -0.17950 -0.04513 0.00000 0.27177 119 4XY -0.09810 0.00000 0.00000 -0.03605 0.00000 120 4XZ 0.00000 0.05056 -0.12548 0.00000 0.20775 121 4YZ 0.00606 0.00001 0.00001 0.06808 -0.00001 122 16 C 1S -0.00438 0.00093 -0.01068 0.00721 0.01815 123 2S 0.02504 -0.01284 -0.11727 0.15408 0.34221 124 2PX -0.00480 -0.01380 -0.05845 -0.03455 0.09219 125 2PY 0.10178 -0.04660 -0.07240 0.00403 -0.02095 126 2PZ 0.09578 -0.03146 -0.02690 0.01809 0.19955 127 3S -0.55920 0.02083 -0.05552 -0.62423 -0.43690 128 3PX -0.66907 0.11326 0.00061 -0.02062 -0.01795 129 3PY -0.83875 0.08772 0.39886 -0.30281 0.01143 130 3PZ -0.98672 0.07772 0.28726 -0.09387 -0.18478 131 4XX 0.00615 0.01904 0.05968 0.01990 -0.08685 132 4YY 0.01853 0.02047 -0.03286 -0.00551 0.11507 133 4ZZ -0.08148 -0.05422 -0.03536 -0.03316 -0.06614 134 4XY -0.10620 0.07392 0.16389 -0.04422 -0.20440 135 4XZ 0.09135 0.07371 -0.11052 -0.00133 -0.13703 136 4YZ -0.02603 0.05060 0.00499 0.04265 -0.26331 137 17 C 1S 0.00438 0.00093 -0.01068 -0.00721 0.01815 138 2S -0.02504 -0.01284 -0.11727 -0.15408 0.34221 139 2PX 0.00480 -0.01380 -0.05845 0.03455 0.09219 140 2PY 0.10178 0.04660 0.07241 0.00403 0.02094 141 2PZ -0.09578 -0.03146 -0.02690 -0.01809 0.19955 142 3S 0.55920 0.02083 -0.05552 0.62423 -0.43690 143 3PX 0.66907 0.11326 0.00061 0.02062 -0.01795 144 3PY -0.83879 -0.08772 -0.39887 -0.30281 -0.01142 145 3PZ 0.98669 0.07772 0.28724 0.09385 -0.18477 146 4XX -0.00615 0.01904 0.05968 -0.01990 -0.08685 147 4YY -0.01853 0.02048 -0.03286 0.00551 0.11506 148 4ZZ 0.08148 -0.05423 -0.03536 0.03316 -0.06612 149 4XY -0.10619 -0.07392 -0.16389 -0.04422 0.20441 150 4XZ -0.09136 0.07370 -0.11053 0.00133 -0.13703 151 4YZ -0.02604 -0.05060 -0.00499 0.04265 0.26332 152 18 H 1S 0.00000 -0.20713 0.07896 0.00000 -0.03277 153 2S 0.00000 -0.14019 -0.06815 0.00000 0.20165 154 19 H 1S -0.17729 -0.04775 0.09548 0.00917 0.26070 155 2S -0.60114 0.10195 0.21682 -0.01288 -0.08182 156 20 H 1S 0.17729 -0.04775 0.09548 -0.00917 0.26070 157 2S 0.60113 0.10195 0.21682 0.01288 -0.08182 158 21 H 1S 0.00000 -0.00291 0.01403 0.00000 -0.36282 159 2S 0.00000 -0.09466 -0.09015 0.00000 -0.08663 160 22 O 1S 0.01605 0.02679 0.00078 0.00054 0.00939 161 2S 0.12762 0.43369 0.07309 -0.01532 0.12946 162 2PX 0.01721 0.01196 -0.05324 0.01837 0.00220 163 2PY 0.04208 -0.02618 -0.06272 0.00847 -0.03898 164 2PZ -0.02560 -0.01221 0.00889 -0.00862 0.05846 165 3S -0.74960 -1.41934 -0.10832 -0.04143 -0.41780 166 3PX 0.02000 -0.14219 -0.02436 0.00795 0.09683 167 3PY 0.13137 0.46514 0.19550 0.00534 0.16549 168 3PZ -0.02624 -0.09731 -0.15990 0.01420 -0.09812 169 4XX -0.00922 0.05153 -0.01736 0.02090 0.00733 170 4YY 0.16029 0.18225 -0.03387 -0.01702 0.08555 171 4ZZ -0.01575 0.03329 0.09925 -0.00424 0.00951 172 4XY 0.02330 0.06691 -0.12529 -0.00414 -0.02801 173 4XZ -0.13655 0.16405 0.01429 -0.05732 -0.07928 174 4YZ 0.05582 -0.10452 0.00212 0.01798 0.15679 175 23 O 1S -0.01605 0.02679 0.00078 -0.00054 0.00939 176 2S -0.12762 0.43369 0.07309 0.01532 0.12946 177 2PX -0.01721 0.01196 -0.05324 -0.01837 0.00220 178 2PY 0.04208 0.02618 0.06272 0.00846 0.03898 179 2PZ 0.02560 -0.01220 0.00889 0.00862 0.05846 180 3S 0.74959 -1.41934 -0.10833 0.04144 -0.41780 181 3PX -0.02000 -0.14220 -0.02436 -0.00795 0.09683 182 3PY 0.13137 -0.46514 -0.19549 0.00534 -0.16548 183 3PZ 0.02625 -0.09733 -0.15991 -0.01419 -0.09813 184 4XX 0.00922 0.05153 -0.01736 -0.02090 0.00733 185 4YY -0.16029 0.18224 -0.03387 0.01702 0.08556 186 4ZZ 0.01575 0.03330 0.09925 0.00424 0.00950 187 4XY 0.02329 -0.06691 0.12529 -0.00414 0.02801 188 4XZ 0.13656 0.16404 0.01429 0.05732 -0.07928 189 4YZ 0.05581 0.10453 -0.00213 0.01798 -0.15679 136 137 138 139 140 V V V V V Eigenvalues -- 1.88534 1.90842 1.93561 1.95824 1.97652 1 1 C 1S 0.00093 0.00089 -0.00047 0.02238 0.00855 2 2S -0.06233 -0.07420 -0.00401 0.45063 -0.14058 3 2PX -0.02045 0.03813 -0.06485 0.04127 0.10330 4 2PY 0.06496 0.02102 0.06627 0.15546 -0.12427 5 2PZ 0.04864 -0.01931 0.02262 0.05146 0.06905 6 3S 0.27082 -0.14515 0.11410 -1.31279 -0.14609 7 3PX 0.18401 0.20347 0.21455 0.07912 -0.23950 8 3PY -0.21506 -0.34601 0.24190 0.16944 0.17851 9 3PZ 0.03383 0.25693 -0.17265 -0.13915 -0.16022 10 4XX 0.03811 -0.09738 0.18831 0.25772 -0.00278 11 4YY -0.10529 -0.03104 -0.08181 -0.40738 0.00070 12 4ZZ 0.08163 0.07859 -0.04248 0.09326 -0.03742 13 4XY 0.04946 0.01423 0.29699 0.13396 -0.06838 14 4XZ -0.01284 0.25138 -0.00997 0.11375 0.09541 15 4YZ 0.07509 0.04736 -0.10414 -0.15466 -0.06263 16 2 H 1S 0.00726 -0.00959 0.16428 0.51594 0.04248 17 2S -0.15105 -0.14774 0.07188 0.05852 0.06092 18 3 C 1S -0.00129 -0.01173 0.00808 -0.00054 0.00031 19 2S 0.06133 -0.33204 -0.05921 -0.08530 0.04686 20 2PX 0.03100 -0.04515 0.02103 -0.05788 0.01283 21 2PY 0.04197 -0.10037 -0.08220 0.17758 0.07771 22 2PZ 0.02363 0.00541 0.01661 -0.05959 0.00764 23 3S 0.13803 0.61176 -0.13712 0.17759 -0.20487 24 3PX 0.05613 0.25410 -0.13884 0.34534 0.05868 25 3PY 0.15309 0.10515 0.10869 -0.33960 -0.04977 26 3PZ 0.19349 0.21516 -0.02355 0.46786 0.09407 27 4XX -0.01908 -0.15565 -0.20986 -0.10458 0.10928 28 4YY 0.03076 0.21573 0.20241 0.01480 -0.12287 29 4ZZ 0.00114 -0.14536 0.00754 0.05821 -0.00003 30 4XY -0.03811 -0.03265 0.01401 -0.09660 -0.19646 31 4XZ -0.06255 0.12713 -0.14356 -0.11622 0.04819 32 4YZ -0.01235 -0.14870 -0.00691 -0.15037 -0.20387 33 4 H 1S 0.10295 0.10255 0.07322 0.19710 0.17368 34 2S 0.07097 0.01802 -0.02618 0.03617 0.02151 35 5 C 1S 0.00129 -0.01173 0.00808 0.00054 0.00031 36 2S -0.06133 -0.33204 -0.05921 0.08530 0.04685 37 2PX -0.03100 -0.04515 0.02103 0.05789 0.01283 38 2PY 0.04197 0.10037 0.08220 0.17758 -0.07771 39 2PZ -0.02363 0.00542 0.01661 0.05960 0.00764 40 3S -0.13803 0.61176 -0.13712 -0.17760 -0.20487 41 3PX -0.05614 0.25410 -0.13884 -0.34534 0.05868 42 3PY 0.15310 -0.10516 -0.10869 -0.33958 0.04976 43 3PZ -0.19348 0.21516 -0.02355 -0.46787 0.09407 44 4XX 0.01908 -0.15565 -0.20986 0.10458 0.10928 45 4YY -0.03076 0.21572 0.20241 -0.01479 -0.12288 46 4ZZ -0.00114 -0.14535 0.00754 -0.05822 -0.00001 47 4XY -0.03811 0.03264 -0.01400 -0.09660 0.19646 48 4XZ 0.06255 0.12713 -0.14356 0.11622 0.04820 49 4YZ -0.01235 0.14871 0.00691 -0.15037 0.20387 50 6 H 1S -0.10295 0.10255 0.07322 -0.19710 0.17367 51 2S -0.07097 0.01802 -0.02618 -0.03617 0.02151 52 7 C 1S -0.00093 0.00089 -0.00047 -0.02238 0.00855 53 2S 0.06233 -0.07420 -0.00401 -0.45063 -0.14059 54 2PX 0.02045 0.03813 -0.06485 -0.04127 0.10329 55 2PY 0.06496 -0.02102 -0.06627 0.15546 0.12427 56 2PZ -0.04864 -0.01931 0.02262 -0.05146 0.06906 57 3S -0.27082 -0.14515 0.11409 1.31279 -0.14607 58 3PX -0.18401 0.20348 0.21455 -0.07912 -0.23949 59 3PY -0.21506 0.34600 -0.24189 0.16944 -0.17850 60 3PZ -0.03383 0.25694 -0.17266 0.13915 -0.16023 61 4XX -0.03811 -0.09738 0.18831 -0.25772 -0.00278 62 4YY 0.10529 -0.03103 -0.08181 0.40739 0.00070 63 4ZZ -0.08163 0.07858 -0.04247 -0.09327 -0.03742 64 4XY 0.04946 -0.01423 -0.29699 0.13396 0.06838 65 4XZ 0.01284 0.25138 -0.00998 -0.11375 0.09541 66 4YZ 0.07509 -0.04736 0.10414 -0.15464 0.06263 67 8 H 1S -0.00725 -0.00959 0.16428 -0.51594 0.04248 68 2S 0.15105 -0.14774 0.07188 -0.05853 0.06092 69 9 C 1S 0.03184 0.03101 0.00552 -0.00095 -0.01529 70 2S 0.31307 -0.12486 -0.24083 0.14944 -0.04542 71 2PX 0.03001 0.00926 -0.06669 0.02876 -0.05578 72 2PY 0.00274 -0.08246 -0.11088 0.10600 0.05541 73 2PZ -0.01178 0.02293 0.01412 -0.08720 0.03137 74 3S -1.12402 -0.29571 0.18969 -0.13731 0.32636 75 3PX -0.19262 -0.10234 -0.10180 -0.52028 0.16871 76 3PY -0.21092 0.29188 0.05763 -0.60682 -0.18188 77 3PZ 0.16976 -0.03765 0.05791 0.36517 -0.12842 78 4XX -0.01094 -0.29056 -0.00246 0.07564 0.10336 79 4YY -0.02395 0.32144 0.22705 0.05276 -0.18765 80 4ZZ 0.03323 -0.02363 -0.18631 -0.16032 0.08923 81 4XY 0.01934 0.13200 0.24605 -0.05121 0.00674 82 4XZ 0.06172 0.21214 -0.09436 -0.16625 -0.05263 83 4YZ 0.00766 0.04120 -0.01593 0.30073 0.03015 84 10 H 1S 0.09043 0.22363 -0.12164 -0.12724 -0.08423 85 2S -0.01337 -0.03390 -0.02113 -0.28872 0.07772 86 11 H 1S 0.12386 0.25385 0.17365 0.12589 -0.08076 87 2S 0.13144 -0.00156 -0.06386 -0.03142 -0.07969 88 12 C 1S -0.03184 0.03101 0.00552 0.00095 -0.01529 89 2S -0.31307 -0.12486 -0.24084 -0.14944 -0.04542 90 2PX -0.03001 0.00926 -0.06669 -0.02876 -0.05578 91 2PY 0.00274 0.08246 0.11088 0.10600 -0.05541 92 2PZ 0.01178 0.02293 0.01412 0.08720 0.03136 93 3S 1.12402 -0.29571 0.18970 0.13731 0.32637 94 3PX 0.19262 -0.10234 -0.10179 0.52028 0.16871 95 3PY -0.21092 -0.29188 -0.05763 -0.60681 0.18188 96 3PZ -0.16977 -0.03766 0.05791 -0.36519 -0.12841 97 4XX 0.01095 -0.29056 -0.00246 -0.07564 0.10336 98 4YY 0.02394 0.32144 0.22705 -0.05278 -0.18764 99 4ZZ -0.03323 -0.02363 -0.18631 0.16034 0.08923 100 4XY 0.01935 -0.13200 -0.24605 -0.05121 -0.00673 101 4XZ -0.06172 0.21213 -0.09437 0.16624 -0.05263 102 4YZ 0.00766 -0.04118 0.01595 0.30072 -0.03016 103 13 H 1S -0.09043 0.22363 -0.12164 0.12724 -0.08423 104 2S 0.01337 -0.03390 -0.02113 0.28872 0.07772 105 14 H 1S -0.12386 0.25385 0.17365 -0.12589 -0.08076 106 2S -0.13144 -0.00156 -0.06386 0.03142 -0.07969 107 15 C 1S 0.00000 -0.01995 0.01314 0.00000 -0.02277 108 2S 0.00000 -0.21822 0.13214 0.00000 -0.06184 109 2PX 0.00000 0.01872 0.04900 0.00000 -0.00809 110 2PY 0.04617 0.00000 0.00000 0.10076 0.00000 111 2PZ 0.00000 -0.00156 -0.00196 0.00000 -0.03358 112 3S 0.00000 0.83152 -0.80870 0.00000 0.47156 113 3PX 0.00000 -0.40629 0.51732 0.00000 0.37565 114 3PY 0.19170 0.00000 0.00000 -0.04592 0.00001 115 3PZ 0.00000 -0.04820 -0.11530 0.00000 -0.39530 116 4XX 0.00000 0.08994 0.10174 0.00000 0.28096 117 4YY 0.00000 -0.16363 -0.00984 0.00000 -0.30439 118 4ZZ 0.00000 0.09570 -0.09593 0.00000 0.02639 119 4XY -0.05573 0.00000 0.00000 0.16920 0.00000 120 4XZ 0.00000 0.10486 -0.11034 0.00000 -0.07875 121 4YZ -0.10778 -0.00001 0.00000 0.09153 -0.00001 122 16 C 1S 0.00835 0.01018 -0.00142 -0.01407 -0.00144 123 2S 0.12240 0.02902 0.13467 -0.13331 0.21262 124 2PX -0.01877 0.08764 -0.07046 0.06260 0.12017 125 2PY 0.18556 0.00127 -0.00901 0.04382 -0.02226 126 2PZ -0.02116 0.05422 -0.04893 -0.02415 0.07424 127 3S 0.22271 0.10011 -0.25629 0.61454 0.17062 128 3PX -0.07279 -0.01358 0.06503 0.08259 -0.17751 129 3PY 0.80631 -0.07328 -0.04019 -0.01431 -0.29353 130 3PZ 0.63138 0.06557 -0.25041 0.35355 -0.34385 131 4XX -0.00755 0.04177 -0.13782 -0.01658 -0.10778 132 4YY 0.04542 0.02475 0.08113 0.04658 0.10552 133 4ZZ -0.03297 -0.02751 0.00745 0.00818 -0.01179 134 4XY -0.27384 -0.03982 -0.00617 0.03153 0.09389 135 4XZ -0.17032 -0.17989 0.14914 -0.05889 -0.22167 136 4YZ -0.05622 -0.13135 0.22152 -0.02812 0.22533 137 17 C 1S -0.00835 0.01018 -0.00142 0.01407 -0.00144 138 2S -0.12240 0.02902 0.13466 0.13331 0.21263 139 2PX 0.01877 0.08764 -0.07046 -0.06260 0.12017 140 2PY 0.18556 -0.00127 0.00901 0.04382 0.02225 141 2PZ 0.02116 0.05422 -0.04893 0.02415 0.07424 142 3S -0.22271 0.10010 -0.25628 -0.61454 0.17060 143 3PX 0.07279 -0.01358 0.06503 -0.08259 -0.17751 144 3PY 0.80633 0.07328 0.04019 -0.01430 0.29354 145 3PZ -0.63135 0.06557 -0.25041 -0.35355 -0.34384 146 4XX 0.00755 0.04177 -0.13782 0.01658 -0.10778 147 4YY -0.04542 0.02474 0.08114 -0.04657 0.10553 148 4ZZ 0.03296 -0.02750 0.00743 -0.00818 -0.01180 149 4XY -0.27385 0.03982 0.00616 0.03153 -0.09388 150 4XZ 0.17031 -0.17989 0.14914 0.05889 -0.22167 151 4YZ -0.05622 0.13135 -0.22152 -0.02812 -0.22533 152 18 H 1S 0.00000 -0.05475 -0.13266 0.00000 -0.38088 153 2S 0.00000 0.06046 -0.06755 0.00000 -0.19193 154 19 H 1S 0.36614 0.12226 -0.22675 -0.01836 -0.25887 155 2S 0.35122 -0.04403 0.01586 0.05892 -0.19293 156 20 H 1S -0.36614 0.12226 -0.22676 0.01837 -0.25887 157 2S -0.35122 -0.04403 0.01586 -0.05892 -0.19293 158 21 H 1S 0.00000 -0.16466 0.21636 0.00000 0.02248 159 2S 0.00000 -0.10738 0.17348 0.00000 0.12473 160 22 O 1S 0.01508 0.01041 -0.01791 -0.01366 -0.01444 161 2S -0.01773 0.26986 -0.24374 0.03219 0.28885 162 2PX 0.00856 -0.05242 0.06140 0.03511 -0.05774 163 2PY 0.21167 -0.03269 0.02571 -0.07737 -0.09290 164 2PZ -0.05544 -0.00189 -0.07244 0.09212 -0.13617 165 3S -0.17658 -0.76155 0.83162 0.28196 -0.27689 166 3PX -0.05454 0.15220 -0.20870 -0.15321 -0.06852 167 3PY -0.29772 0.19188 -0.27847 0.07070 0.02793 168 3PZ 0.14137 -0.01414 0.20856 -0.18075 0.27656 169 4XX -0.07845 0.05579 -0.05238 -0.00808 -0.03657 170 4YY 0.44203 0.11111 -0.10663 -0.08119 0.07367 171 4ZZ -0.29940 -0.01672 0.01175 0.03816 0.05504 172 4XY 0.24520 -0.00656 0.11403 0.05717 0.15913 173 4XZ -0.17124 -0.00817 -0.07736 0.04330 -0.21506 174 4YZ 0.12699 0.06811 -0.13195 0.02412 -0.12391 175 23 O 1S -0.01508 0.01041 -0.01791 0.01366 -0.01444 176 2S 0.01773 0.26986 -0.24374 -0.03219 0.28885 177 2PX -0.00856 -0.05242 0.06140 -0.03511 -0.05774 178 2PY 0.21167 0.03269 -0.02571 -0.07736 0.09291 179 2PZ 0.05545 -0.00188 -0.07244 -0.09212 -0.13616 180 3S 0.17658 -0.76155 0.83163 -0.28196 -0.27690 181 3PX 0.05454 0.15220 -0.20870 0.15321 -0.06852 182 3PY -0.29771 -0.19188 0.27846 0.07069 -0.02794 183 3PZ -0.14138 -0.01415 0.20857 0.18075 0.27656 184 4XX 0.07845 0.05579 -0.05238 0.00808 -0.03657 185 4YY -0.44204 0.11111 -0.10664 0.08119 0.07366 186 4ZZ 0.29941 -0.01673 0.01176 -0.03816 0.05505 187 4XY 0.24519 0.00656 -0.11403 0.05717 -0.15912 188 4XZ 0.17124 -0.00817 -0.07736 -0.04329 -0.21507 189 4YZ 0.12696 -0.06811 0.13194 0.02413 0.12391 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98100 2.00053 2.01936 2.04161 1 1 C 1S -0.02230 -0.02595 -0.01443 -0.00221 -0.00016 2 2S -0.24271 -0.16094 -0.71206 0.00290 -0.31262 3 2PX -0.03023 0.00231 0.05456 0.04535 -0.01674 4 2PY -0.04142 0.00825 -0.15629 -0.01491 -0.08938 5 2PZ 0.06703 0.13082 0.08261 0.04349 -0.02948 6 3S 0.70944 0.77050 1.44883 -0.11350 0.58145 7 3PX 0.14780 0.12424 -0.01447 -0.00478 -0.12302 8 3PY -0.17856 0.01849 0.63525 -0.17836 0.64185 9 3PZ -0.23349 -0.47820 -0.12678 -0.17873 0.01693 10 4XX 0.02418 0.15918 0.02136 -0.03446 0.00174 11 4YY 0.19619 0.07385 -0.15622 0.05901 -0.07029 12 4ZZ -0.19991 -0.23589 0.14203 -0.05447 0.11679 13 4XY -0.03896 0.02467 -0.10303 0.07687 0.00344 14 4XZ -0.01649 -0.02119 0.03524 0.07355 -0.00936 15 4YZ -0.14592 -0.26612 -0.05089 -0.06666 -0.00897 16 2 H 1S -0.26678 -0.11509 0.07303 -0.05702 0.14409 17 2S -0.08904 -0.06309 0.06739 -0.07640 0.16290 18 3 C 1S 0.00028 0.00209 0.01314 -0.00284 0.01247 19 2S -0.16796 -0.20959 0.04724 -0.06062 0.08290 20 2PX -0.04690 -0.07248 -0.00712 -0.02301 0.00574 21 2PY -0.10004 -0.07529 0.11702 0.01904 0.06558 22 2PZ -0.04763 -0.07100 0.05054 0.02869 0.03876 23 3S 0.34268 0.16231 -0.65712 0.06075 -0.45306 24 3PX -0.01810 -0.05762 -0.13781 0.11145 -0.18135 25 3PY 0.37197 0.35497 -0.05234 0.05175 -0.10231 26 3PZ 0.00183 -0.00195 -0.09378 0.08007 -0.20339 27 4XX 0.05188 0.02196 0.08299 0.06099 0.03498 28 4YY -0.05918 -0.07523 -0.10640 -0.08431 -0.02091 29 4ZZ 0.01064 0.04646 0.05040 0.04572 0.01064 30 4XY 0.10891 0.11687 -0.24333 -0.02834 -0.07990 31 4XZ 0.10143 0.07894 -0.08636 0.00258 -0.14119 32 4YZ 0.01629 -0.05085 -0.32333 -0.08112 -0.12300 33 4 H 1S -0.09564 -0.05853 0.30284 0.06129 0.12977 34 2S 0.06149 0.04411 -0.07929 0.02732 -0.10686 35 5 C 1S -0.00028 -0.00209 0.01314 -0.00284 0.01247 36 2S 0.16796 0.20959 0.04723 -0.06062 0.08290 37 2PX 0.04690 0.07248 -0.00712 -0.02301 0.00574 38 2PY -0.10004 -0.07530 -0.11702 -0.01904 -0.06558 39 2PZ 0.04763 0.07100 0.05054 0.02869 0.03876 40 3S -0.34269 -0.16231 -0.65711 0.06074 -0.45305 41 3PX 0.01810 0.05762 -0.13781 0.11145 -0.18135 42 3PY 0.37198 0.35497 0.05234 -0.05175 0.10232 43 3PZ -0.00182 0.00197 -0.09378 0.08007 -0.20338 44 4XX -0.05187 -0.02195 0.08299 0.06099 0.03498 45 4YY 0.05917 0.07523 -0.10642 -0.08432 -0.02092 46 4ZZ -0.01064 -0.04647 0.05043 0.04572 0.01065 47 4XY 0.10892 0.11687 0.24333 0.02834 0.07990 48 4XZ -0.10142 -0.07893 -0.08635 0.00258 -0.14119 49 4YZ 0.01630 -0.05084 0.32333 0.08111 0.12300 50 6 H 1S 0.09564 0.05853 0.30284 0.06129 0.12977 51 2S -0.06149 -0.04411 -0.07929 0.02732 -0.10686 52 7 C 1S 0.02230 0.02595 -0.01443 -0.00221 -0.00016 53 2S 0.24270 0.16094 -0.71206 0.00290 -0.31262 54 2PX 0.03024 -0.00231 0.05457 0.04535 -0.01674 55 2PY -0.04142 0.00826 0.15629 0.01491 0.08938 56 2PZ -0.06703 -0.13082 0.08261 0.04349 -0.02947 57 3S -0.70944 -0.77049 1.44884 -0.11350 0.58145 58 3PX -0.14781 -0.12424 -0.01447 -0.00478 -0.12302 59 3PY -0.17857 0.01847 -0.63524 0.17837 -0.64184 60 3PZ 0.23348 0.47820 -0.12681 -0.17872 0.01690 61 4XX -0.02418 -0.15918 0.02136 -0.03446 0.00175 62 4YY -0.19618 -0.07383 -0.15622 0.05900 -0.07029 63 4ZZ 0.19991 0.23587 0.14204 -0.05447 0.11679 64 4XY -0.03896 0.02467 0.10303 -0.07687 -0.00344 65 4XZ 0.01650 0.02120 0.03524 0.07355 -0.00936 66 4YZ -0.14594 -0.26614 0.05088 0.06666 0.00897 67 8 H 1S 0.26678 0.11509 0.07303 -0.05702 0.14409 68 2S 0.08904 0.06309 0.06739 -0.07640 0.16290 69 9 C 1S -0.01808 -0.02107 0.01875 -0.00579 0.00656 70 2S 0.03418 0.17860 0.10119 -0.02130 -0.13109 71 2PX -0.02009 -0.00593 0.00916 -0.03796 0.01767 72 2PY -0.03377 -0.02582 0.06334 -0.02080 0.02104 73 2PZ -0.08579 -0.14553 0.05702 -0.00170 0.07405 74 3S 0.33494 0.09384 -0.61337 0.16367 -0.07778 75 3PX -0.13312 -0.39252 0.03464 -0.06052 0.12365 76 3PY 0.28677 0.07740 -0.01320 0.01469 -0.08599 77 3PZ 0.17646 0.39891 0.17282 -0.07512 0.00364 78 4XX -0.01359 0.06798 -0.03374 0.02154 -0.05661 79 4YY 0.04950 0.06914 -0.00805 -0.03811 0.05103 80 4ZZ -0.04401 -0.16863 0.06978 0.01607 0.03164 81 4XY -0.18350 -0.21495 0.05195 0.10339 -0.03723 82 4XZ -0.09320 -0.20593 0.01153 -0.03187 0.00577 83 4YZ -0.08438 0.00973 0.10401 -0.04267 0.13144 84 10 H 1S -0.08645 -0.16876 0.05733 -0.08965 0.07405 85 2S -0.02176 -0.12241 0.03645 0.02515 0.02164 86 11 H 1S -0.00115 0.01226 0.10613 0.03098 0.01853 87 2S -0.01108 0.11442 0.02927 0.04752 -0.10342 88 12 C 1S 0.01808 0.02107 0.01875 -0.00579 0.00656 89 2S -0.03418 -0.17860 0.10119 -0.02130 -0.13109 90 2PX 0.02008 0.00593 0.00916 -0.03796 0.01767 91 2PY -0.03377 -0.02582 -0.06334 0.02080 -0.02104 92 2PZ 0.08579 0.14553 0.05701 -0.00170 0.07405 93 3S -0.33494 -0.09384 -0.61337 0.16367 -0.07778 94 3PX 0.13313 0.39253 0.03464 -0.06052 0.12365 95 3PY 0.28678 0.07741 0.01319 -0.01469 0.08599 96 3PZ -0.17645 -0.39891 0.17282 -0.07512 0.00364 97 4XX 0.01359 -0.06798 -0.03374 0.02154 -0.05661 98 4YY -0.04950 -0.06914 -0.00804 -0.03812 0.05104 99 4ZZ 0.04401 0.16863 0.06977 0.01608 0.03163 100 4XY -0.18351 -0.21495 -0.05195 -0.10339 0.03723 101 4XZ 0.09319 0.20592 0.01153 -0.03187 0.00577 102 4YZ -0.08438 0.00972 -0.10402 0.04267 -0.13144 103 13 H 1S 0.08645 0.16876 0.05733 -0.08965 0.07405 104 2S 0.02176 0.12241 0.03645 0.02515 0.02164 105 14 H 1S 0.00115 -0.01226 0.10613 0.03098 0.01853 106 2S 0.01108 -0.11442 0.02927 0.04752 -0.10342 107 15 C 1S 0.00000 0.00000 0.03154 -0.02235 -0.03146 108 2S 0.00000 0.00000 0.08919 0.02833 -0.02696 109 2PX 0.00000 0.00000 0.09463 -0.04566 -0.12538 110 2PY 0.29485 -0.17771 0.00000 0.00000 0.00000 111 2PZ 0.00001 0.00000 0.03846 -0.15601 -0.01710 112 3S 0.00000 0.00000 -0.97378 0.82066 0.86564 113 3PX 0.00000 0.00000 0.03278 0.54387 -0.39835 114 3PY -0.16776 0.13942 0.00000 0.00001 -0.00001 115 3PZ -0.00001 0.00000 0.15116 -0.47335 0.46220 116 4XX 0.00000 0.00000 -0.04339 0.31216 -0.24932 117 4YY -0.00002 0.00001 0.15800 -0.06864 -0.06590 118 4ZZ 0.00001 -0.00001 -0.12886 -0.19921 0.34013 119 4XY 0.39407 -0.32188 0.00000 0.00000 0.00001 120 4XZ 0.00001 -0.00001 0.10998 -0.11673 -0.35838 121 4YZ 0.41357 -0.29998 0.00001 0.00000 -0.00001 122 16 C 1S 0.01320 0.01668 0.00849 0.00491 0.00219 123 2S 0.43666 0.27310 -0.04404 0.16488 0.30805 124 2PX -0.00904 -0.12700 -0.12061 -0.04872 -0.03440 125 2PY 0.04932 -0.03932 -0.09402 0.20069 0.19561 126 2PZ 0.08658 -0.02032 -0.04852 0.05658 -0.01689 127 3S -1.15804 -1.15819 -0.52509 -0.20962 -0.08173 128 3PX 0.05031 0.25883 0.27728 0.15641 0.01626 129 3PY -0.20579 0.00753 0.39399 -0.09590 -0.43794 130 3PZ -0.30745 -0.17048 0.07130 0.09124 -0.23707 131 4XX -0.08868 -0.08124 -0.09518 0.33025 0.02764 132 4YY 0.07853 -0.05437 0.18179 -0.35611 -0.29923 133 4ZZ 0.00885 0.07442 -0.14908 0.05711 0.28466 134 4XY -0.12894 -0.00564 -0.07233 -0.12478 0.02146 135 4XZ -0.08486 0.09626 0.23356 0.06521 0.17924 136 4YZ 0.01990 0.02357 -0.11064 -0.25484 0.18338 137 17 C 1S -0.01320 -0.01668 0.00849 0.00491 0.00219 138 2S -0.43666 -0.27311 -0.04404 0.16488 0.30805 139 2PX 0.00904 0.12700 -0.12061 -0.04872 -0.03440 140 2PY 0.04933 -0.03932 0.09403 -0.20070 -0.19561 141 2PZ -0.08658 0.02031 -0.04852 0.05657 -0.01690 142 3S 1.15804 1.15820 -0.52510 -0.20962 -0.08172 143 3PX -0.05032 -0.25883 0.27728 0.15641 0.01627 144 3PY -0.20580 0.00752 -0.39399 0.09590 0.43794 145 3PZ 0.30743 0.17049 0.07128 0.09124 -0.23705 146 4XX 0.08868 0.08124 -0.09518 0.33025 0.02764 147 4YY -0.07853 0.05437 0.18178 -0.35613 -0.29921 148 4ZZ -0.00885 -0.07442 -0.14907 0.05713 0.28464 149 4XY -0.12895 -0.00564 0.07233 0.12478 -0.02147 150 4XZ 0.08485 -0.09626 0.23356 0.06521 0.17924 151 4YZ 0.01989 0.02358 0.11066 0.25482 -0.18340 152 18 H 1S 0.00000 0.00000 0.16955 -0.50492 0.10694 153 2S 0.00000 0.00000 0.13287 -0.24566 0.04505 154 19 H 1S 0.09542 0.07603 0.16448 0.28137 -0.27933 155 2S -0.05023 0.07048 0.21021 -0.03578 -0.09316 156 20 H 1S -0.09543 -0.07603 0.16448 0.28137 -0.27933 157 2S 0.05023 -0.07047 0.21021 -0.03578 -0.09316 158 21 H 1S 0.00000 0.00000 0.21904 0.19763 -0.60096 159 2S 0.00000 0.00000 0.00904 0.03175 -0.13657 160 22 O 1S -0.00905 0.01996 -0.00315 0.02233 0.00280 161 2S 0.28696 0.06969 -0.39936 0.05197 0.17506 162 2PX 0.11841 -0.16846 0.06284 0.24745 0.05469 163 2PY -0.16590 0.14772 0.06931 -0.00237 -0.03520 164 2PZ 0.14196 -0.09005 0.01790 0.08272 0.12262 165 3S -0.50314 -0.48081 0.83425 -0.45856 -0.38147 166 3PX -0.01734 0.37154 -0.07072 -0.42622 -0.07596 167 3PY 0.19429 -0.08757 -0.17941 0.20342 0.08810 168 3PZ -0.14292 0.15416 0.01045 -0.01464 -0.29301 169 4XX 0.05320 -0.08541 0.01655 -0.09480 0.10441 170 4YY 0.00480 0.19264 -0.13280 -0.01320 0.09065 171 4ZZ 0.03991 -0.03376 -0.04856 0.18360 -0.14722 172 4XY 0.19200 -0.03902 -0.06285 0.26874 -0.02666 173 4XZ -0.04014 0.11372 0.08628 0.02813 -0.01746 174 4YZ 0.14799 -0.09427 -0.06433 -0.06513 0.22756 175 23 O 1S 0.00905 -0.01996 -0.00315 0.02233 0.00280 176 2S -0.28695 -0.06969 -0.39936 0.05197 0.17506 177 2PX -0.11841 0.16846 0.06284 0.24745 0.05469 178 2PY -0.16589 0.14772 -0.06931 0.00237 0.03519 179 2PZ -0.14197 0.09006 0.01790 0.08271 0.12262 180 3S 0.50314 0.48081 0.83425 -0.45856 -0.38147 181 3PX 0.01734 -0.37154 -0.07072 -0.42622 -0.07596 182 3PY 0.19428 -0.08757 0.17941 -0.20342 -0.08809 183 3PZ 0.14293 -0.15416 0.01045 -0.01464 -0.29301 184 4XX -0.05320 0.08541 0.01655 -0.09480 0.10441 185 4YY -0.00481 -0.19264 -0.13280 -0.01321 0.09066 186 4ZZ -0.03990 0.03375 -0.04856 0.18360 -0.14723 187 4XY 0.19200 -0.03902 0.06285 -0.26874 0.02667 188 4XZ 0.04014 -0.11372 0.08629 0.02812 -0.01746 189 4YZ 0.14800 -0.09428 0.06433 0.06512 -0.22755 146 147 148 149 150 V V V V V Eigenvalues -- 2.08890 2.12023 2.14082 2.16018 2.23013 1 1 C 1S -0.00633 -0.00565 -0.00622 0.00599 0.00036 2 2S -0.02737 -0.18577 0.02849 -0.13031 -0.16852 3 2PX 0.11304 -0.10394 0.02679 -0.00506 0.01199 4 2PY 0.01544 0.04338 0.03271 -0.07843 -0.03850 5 2PZ 0.21725 -0.01087 0.02862 -0.00451 -0.02002 6 3S -0.13328 0.69388 0.20421 -0.00852 0.26059 7 3PX 0.16402 0.42049 -0.44397 0.05236 -0.04419 8 3PY -0.18450 0.14836 0.35746 0.25352 0.29812 9 3PZ -0.09349 -0.06934 0.07508 -0.06427 0.18478 10 4XX 0.19722 0.22893 0.08155 0.02944 0.14376 11 4YY -0.02411 -0.09732 -0.17605 0.06598 -0.14414 12 4ZZ -0.20290 -0.06124 0.12671 -0.07185 0.00862 13 4XY 0.04155 0.27308 -0.16211 0.11539 -0.07005 14 4XZ 0.10177 -0.19420 -0.08321 0.06197 0.02308 15 4YZ -0.09037 0.06869 0.09289 -0.05997 0.00259 16 2 H 1S 0.01164 0.04469 0.16798 0.02307 0.12664 17 2S -0.10629 -0.06173 0.15017 0.08949 0.03823 18 3 C 1S -0.02419 0.00766 0.00694 0.00305 -0.00496 19 2S -0.50742 0.37216 -0.10815 0.03795 0.03590 20 2PX -0.05221 0.14155 -0.00790 0.00349 -0.00815 21 2PY -0.16456 0.05262 -0.06211 0.02747 0.07309 22 2PZ -0.06286 0.11548 -0.02159 0.00765 -0.03322 23 3S 0.61329 -0.94823 -0.34990 -0.08708 -0.28720 24 3PX 0.36102 -0.37276 -0.04507 -0.05101 0.09296 25 3PY 0.22664 -0.32685 0.19176 -0.08947 -0.22227 26 3PZ 0.36927 -0.32232 -0.14564 0.00208 -0.13499 27 4XX -0.07833 0.04203 0.05232 -0.01360 0.09959 28 4YY 0.24077 0.11405 0.18201 -0.03692 0.03300 29 4ZZ -0.22866 -0.11387 -0.25461 0.06723 -0.18379 30 4XY -0.17200 0.08369 -0.04910 -0.05173 0.09620 31 4XZ 0.21382 -0.18805 -0.15467 0.01424 0.06081 32 4YZ -0.07716 -0.08036 0.00156 -0.06114 -0.18873 33 4 H 1S 0.09192 0.09760 0.14131 0.02320 0.04706 34 2S 0.12195 -0.14750 -0.03590 -0.01534 -0.05366 35 5 C 1S -0.02419 -0.00766 0.00694 0.00305 0.00496 36 2S -0.50743 -0.37216 -0.10815 0.03795 -0.03590 37 2PX -0.05221 -0.14155 -0.00790 0.00349 0.00815 38 2PY 0.16457 0.05263 0.06211 -0.02747 0.07308 39 2PZ -0.06286 -0.11548 -0.02159 0.00765 0.03322 40 3S 0.61330 0.94823 -0.34989 -0.08707 0.28720 41 3PX 0.36102 0.37276 -0.04507 -0.05100 -0.09296 42 3PY -0.22666 -0.32686 -0.19176 0.08947 -0.22228 43 3PZ 0.36926 0.32231 -0.14565 0.00208 0.13498 44 4XX -0.07833 -0.04203 0.05232 -0.01360 -0.09959 45 4YY 0.24076 -0.11405 0.18201 -0.03693 -0.03299 46 4ZZ -0.22865 0.11386 -0.25461 0.06723 0.18378 47 4XY 0.17199 0.08368 0.04911 0.05173 0.09621 48 4XZ 0.21383 0.18805 -0.15467 0.01424 -0.06081 49 4YZ 0.07718 -0.08037 -0.00154 0.06114 -0.18874 50 6 H 1S 0.09192 -0.09760 0.14131 0.02320 -0.04706 51 2S 0.12195 0.14750 -0.03590 -0.01534 0.05366 52 7 C 1S -0.00633 0.00565 -0.00622 0.00599 -0.00036 53 2S -0.02737 0.18578 0.02850 -0.13031 0.16852 54 2PX 0.11304 0.10394 0.02679 -0.00506 -0.01199 55 2PY -0.01545 0.04338 -0.03271 0.07843 -0.03850 56 2PZ 0.21725 0.01087 0.02862 -0.00450 0.02001 57 3S -0.13329 -0.69389 0.20420 -0.00853 -0.26060 58 3PX 0.16402 -0.42049 -0.44397 0.05236 0.04419 59 3PY 0.18451 0.14836 -0.35746 -0.25351 0.29813 60 3PZ -0.09348 0.06935 0.07506 -0.06428 -0.18477 61 4XX 0.19722 -0.22893 0.08155 0.02944 -0.14376 62 4YY -0.02411 0.09732 -0.17604 0.06598 0.14414 63 4ZZ -0.20289 0.06125 0.12670 -0.07184 -0.00862 64 4XY -0.04156 0.27307 0.16211 -0.11539 -0.07005 65 4XZ 0.10177 0.19421 -0.08320 0.06196 -0.02308 66 4YZ 0.09038 0.06870 -0.09290 0.05998 0.00259 67 8 H 1S 0.01164 -0.04469 0.16798 0.02307 -0.12664 68 2S -0.10630 0.06173 0.15017 0.08949 -0.03823 69 9 C 1S -0.00783 -0.01015 0.01554 -0.01200 0.00445 70 2S 0.42786 -0.26081 -0.19534 -0.04656 0.11303 71 2PX -0.01440 0.00896 0.02597 -0.02388 0.03456 72 2PY 0.12059 -0.03423 -0.08261 0.03317 0.02767 73 2PZ -0.09782 0.05371 0.09489 0.00015 -0.00957 74 3S -0.16624 0.44309 -0.12614 0.24004 -0.51337 75 3PX 0.06199 -0.09136 0.57240 -0.00768 -0.04668 76 3PY -0.21699 0.15917 0.09724 -0.15056 -0.11296 77 3PZ 0.33241 -0.00015 -0.17829 0.01218 0.03832 78 4XX 0.41126 0.14024 0.15278 0.01576 -0.12126 79 4YY -0.21632 -0.07215 0.17033 -0.06570 0.01471 80 4ZZ -0.24211 -0.03000 -0.24557 0.02990 0.07164 81 4XY -0.00440 0.13828 -0.42627 0.10247 -0.10178 82 4XZ 0.03474 0.05560 0.17090 -0.01766 0.12123 83 4YZ -0.15236 -0.13880 0.07754 0.04708 0.00662 84 10 H 1S -0.10240 -0.12158 0.36350 -0.08165 0.12645 85 2S -0.02391 0.01787 0.17093 -0.01683 -0.05209 86 11 H 1S -0.21129 -0.04518 -0.40546 0.05434 0.05613 87 2S -0.06025 -0.05266 0.02611 -0.15342 0.00851 88 12 C 1S -0.00783 0.01015 0.01554 -0.01200 -0.00445 89 2S 0.42787 0.26081 -0.19534 -0.04656 -0.11303 90 2PX -0.01440 -0.00896 0.02597 -0.02388 -0.03456 91 2PY -0.12058 -0.03422 0.08260 -0.03317 0.02767 92 2PZ -0.09783 -0.05371 0.09490 0.00015 0.00957 93 3S -0.16624 -0.44308 -0.12614 0.24004 0.51337 94 3PX 0.06199 0.09136 0.57240 -0.00768 0.04668 95 3PY 0.21698 0.15917 -0.09724 0.15056 -0.11296 96 3PZ 0.33242 0.00015 -0.17829 0.01218 -0.03832 97 4XX 0.41126 -0.14024 0.15278 0.01576 0.12126 98 4YY -0.21633 0.07216 0.17034 -0.06570 -0.01471 99 4ZZ -0.24210 0.02999 -0.24558 0.02990 -0.07164 100 4XY 0.00440 0.13828 0.42626 -0.10247 -0.10177 101 4XZ 0.03474 -0.05559 0.17091 -0.01766 -0.12123 102 4YZ 0.15236 -0.13879 -0.07752 -0.04708 0.00662 103 13 H 1S -0.10240 0.12158 0.36350 -0.08165 -0.12645 104 2S -0.02391 -0.01787 0.17093 -0.01683 0.05209 105 14 H 1S -0.21129 0.04518 -0.40546 0.05434 -0.05613 106 2S -0.06025 0.05266 0.02611 -0.15342 -0.00851 107 15 C 1S 0.00180 0.00000 -0.00353 -0.02379 0.00000 108 2S -0.06291 0.00000 0.11864 -0.54527 0.00000 109 2PX 0.01951 0.00000 -0.08053 0.08814 0.00000 110 2PY 0.00000 0.09743 0.00000 0.00000 0.02690 111 2PZ 0.00598 0.00000 -0.03115 0.05961 0.00000 112 3S 0.19900 0.00000 -0.19468 0.89132 0.00000 113 3PX -0.36939 0.00000 0.56805 -0.79474 0.00000 114 3PY -0.00001 -0.07223 0.00001 0.00001 0.03458 115 3PZ 0.29285 0.00000 -0.40706 -0.46842 0.00000 116 4XX -0.07066 0.00000 0.01215 -0.37023 0.00000 117 4YY 0.05355 0.00000 0.04686 0.32818 -0.00001 118 4ZZ 0.04978 0.00000 -0.10218 0.04618 0.00001 119 4XY 0.00000 0.05180 0.00000 -0.00001 -0.49487 120 4XZ -0.07278 0.00000 0.18020 0.59061 -0.00001 121 4YZ 0.00000 0.11397 0.00000 0.00001 0.43026 122 16 C 1S 0.00261 0.00050 0.00372 0.02931 0.00925 123 2S 0.02986 0.33174 0.22735 0.49890 0.01137 124 2PX -0.07175 -0.14979 -0.01852 0.01354 -0.02894 125 2PY -0.00540 0.00770 0.11569 0.20713 -0.07006 126 2PZ -0.04594 0.02247 0.03374 0.07226 -0.00200 127 3S -0.18255 -1.23178 -0.07184 -0.52655 -0.67158 128 3PX 0.23760 0.15639 -0.08351 -0.35554 -0.19275 129 3PY 0.15420 -0.12910 -0.30740 -0.47153 -0.42103 130 3PZ 0.20148 -0.63357 -0.20193 -0.40936 -0.26721 131 4XX 0.01389 -0.06105 0.04917 -0.15267 0.09910 132 4YY -0.04356 0.01536 -0.10324 -0.22265 -0.06342 133 4ZZ 0.02233 -0.09787 0.03675 0.42236 -0.03409 134 4XY -0.05158 -0.05827 0.05421 0.03060 -0.19491 135 4XZ 0.02504 0.41784 -0.01227 -0.16803 -0.07734 136 4YZ -0.04529 0.00708 0.01936 0.00810 0.34121 137 17 C 1S 0.00261 -0.00050 0.00372 0.02931 -0.00925 138 2S 0.02986 -0.33174 0.22735 0.49890 -0.01137 139 2PX -0.07175 0.14979 -0.01852 0.01354 0.02894 140 2PY 0.00541 0.00770 -0.11569 -0.20713 -0.07006 141 2PZ -0.04594 -0.02247 0.03373 0.07225 0.00200 142 3S -0.18254 1.23178 -0.07184 -0.52655 0.67158 143 3PX 0.23760 -0.15639 -0.08351 -0.35554 0.19275 144 3PY -0.15421 -0.12912 0.30740 0.47154 -0.42104 145 3PZ 0.20147 0.63356 -0.20192 -0.40935 0.26719 146 4XX 0.01389 0.06105 0.04917 -0.15267 -0.09910 147 4YY -0.04357 -0.01536 -0.10324 -0.22265 0.06340 148 4ZZ 0.02233 0.09787 0.03675 0.42236 0.03412 149 4XY 0.05158 -0.05826 -0.05420 -0.03059 -0.19492 150 4XZ 0.02504 -0.41784 -0.01227 -0.16803 0.07734 151 4YZ 0.04529 0.00708 -0.01937 -0.00812 0.34121 152 18 H 1S 0.11011 0.00000 -0.08746 0.37363 0.00000 153 2S 0.14949 0.00000 -0.26591 0.05210 0.00000 154 19 H 1S 0.09716 -0.04064 -0.07802 -0.13448 -0.14450 155 2S 0.15449 -0.04301 -0.09119 -0.18503 -0.08745 156 20 H 1S 0.09716 0.04064 -0.07802 -0.13448 0.14451 157 2S 0.15449 0.04301 -0.09119 -0.18503 0.08745 158 21 H 1S -0.18803 0.00000 0.31885 0.05092 0.00000 159 2S -0.11899 0.00000 0.06770 0.04131 0.00000 160 22 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 161 2S 0.02727 0.40728 -0.09765 -0.16425 0.09727 162 2PX 0.02098 -0.12335 0.01850 -0.10026 -0.04297 163 2PY -0.00428 -0.11675 0.03763 0.13013 -0.01734 164 2PZ 0.04385 -0.05930 -0.05922 -0.07366 0.06358 165 3S -0.25990 -0.82599 0.30544 0.11057 -0.36322 166 3PX 0.03710 0.33796 -0.15691 -0.05100 0.24579 167 3PY 0.11362 0.20458 -0.14646 -0.09934 0.13453 168 3PZ -0.12576 0.09405 0.17302 -0.12518 -0.17419 169 4XX 0.13470 0.00350 -0.09131 -0.21679 0.11196 170 4YY 0.02523 0.08760 -0.06109 0.01738 0.00472 171 4ZZ -0.12158 0.04413 0.11963 0.19797 -0.08558 172 4XY -0.09786 0.02210 0.15996 -0.00520 -0.29772 173 4XZ 0.04816 -0.06931 -0.03873 0.05675 0.05771 174 4YZ 0.09332 0.01360 -0.10208 -0.01136 0.24721 175 23 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00637 176 2S 0.02727 -0.40728 -0.09765 -0.16425 -0.09727 177 2PX 0.02098 0.12335 0.01850 -0.10026 0.04297 178 2PY 0.00427 -0.11675 -0.03762 -0.13013 -0.01734 179 2PZ 0.04386 0.05929 -0.05922 -0.07367 -0.06358 180 3S -0.25989 0.82599 0.30544 0.11057 0.36321 181 3PX 0.03710 -0.33796 -0.15691 -0.05100 -0.24579 182 3PY -0.11361 0.20459 0.14646 0.09935 0.13452 183 3PZ -0.12576 -0.09404 0.17302 -0.12518 0.17420 184 4XX 0.13470 -0.00351 -0.09131 -0.21679 -0.11197 185 4YY 0.02523 -0.08760 -0.06110 0.01738 -0.00474 186 4ZZ -0.12159 -0.04413 0.11964 0.19797 0.08560 187 4XY 0.09786 0.02209 -0.15996 0.00520 -0.29772 188 4XZ 0.04816 0.06931 -0.03874 0.05675 -0.05772 189 4YZ -0.09331 0.01360 0.10207 0.01135 0.24721 151 152 153 154 155 V V V V V Eigenvalues -- 2.25487 2.26202 2.27992 2.29193 2.30960 1 1 C 1S -0.00560 0.03001 -0.00758 0.00579 0.01776 2 2S -0.15853 0.63356 -0.02569 0.14941 0.21061 3 2PX -0.02934 0.06889 0.00081 0.06012 0.14273 4 2PY -0.01443 0.11309 0.00626 -0.00794 -0.01614 5 2PZ -0.04412 0.04558 -0.00845 0.01416 0.14962 6 3S 0.43805 -2.75585 0.11671 -1.10512 -1.60982 7 3PX 0.19212 0.53713 0.00387 -0.18807 -0.05141 8 3PY -0.15382 -1.82987 0.18154 -0.50773 -0.87222 9 3PZ -0.23942 -0.43087 -0.01549 0.01500 -0.25094 10 4XX -0.18970 -0.06231 -0.12260 0.13262 0.09676 11 4YY 0.33466 0.21223 -0.07659 -0.03795 -0.09348 12 4ZZ -0.11984 -0.24619 0.19518 -0.14479 -0.08894 13 4XY 0.27581 0.29432 -0.03575 -0.05679 -0.13915 14 4XZ 0.10745 0.20837 -0.09796 0.04913 0.20222 15 4YZ -0.11969 -0.14944 -0.08358 0.22455 -0.12032 16 2 H 1S -0.24481 -0.21671 0.06734 -0.00605 0.01333 17 2S -0.10033 -0.41335 0.06027 -0.08671 -0.18091 18 3 C 1S 0.00533 -0.02239 0.00026 -0.01258 -0.02773 19 2S 0.29614 -0.28953 -0.03804 -0.16980 -0.54330 20 2PX 0.06238 0.02092 -0.01860 0.03332 -0.11271 21 2PY 0.06912 0.02390 -0.03764 0.04657 0.05123 22 2PZ 0.07944 -0.02842 0.01441 -0.04470 -0.11646 23 3S -0.32334 3.02107 -0.05370 1.28827 2.45110 24 3PX -0.23262 0.87991 -0.07260 0.80660 1.07160 25 3PY -0.03560 1.01098 0.01018 0.62312 0.85854 26 3PZ -0.03720 1.37669 -0.03868 0.43864 0.91837 27 4XX -0.14066 -0.20806 -0.13595 0.32769 0.16273 28 4YY -0.15658 0.06695 0.10492 0.06423 -0.03674 29 4ZZ 0.28943 0.20348 0.00994 -0.34035 -0.12971 30 4XY 0.02784 0.01992 0.03288 0.34214 0.02195 31 4XZ -0.10422 0.02017 -0.02593 0.00212 0.17963 32 4YZ -0.08140 -0.06063 -0.05744 -0.30635 -0.22911 33 4 H 1S 0.03566 0.08597 0.01520 0.16543 0.11656 34 2S -0.05434 0.44754 -0.03305 0.25736 0.33530 35 5 C 1S 0.00533 0.02239 0.00026 0.01258 0.02773 36 2S 0.29615 0.28952 -0.03803 0.16980 0.54329 37 2PX 0.06238 -0.02092 -0.01860 -0.03332 0.11271 38 2PY -0.06913 0.02390 0.03764 0.04657 0.05123 39 2PZ 0.07944 0.02842 0.01441 0.04470 0.11646 40 3S -0.32339 -3.02107 -0.05372 -1.28827 -2.45109 41 3PX -0.23263 -0.87990 -0.07261 -0.80660 -1.07160 42 3PY 0.03562 1.01103 -0.01017 0.62314 0.85857 43 3PZ -0.03722 -1.37665 -0.03869 -0.43861 -0.91834 44 4XX -0.14066 0.20806 -0.13595 -0.32769 -0.16274 45 4YY -0.15659 -0.06694 0.10492 -0.06421 0.03676 46 4ZZ 0.28943 -0.20349 0.00995 0.34033 0.12970 47 4XY -0.02783 0.01992 -0.03288 0.34214 0.02195 48 4XZ -0.10422 -0.02017 -0.02593 -0.00211 -0.17963 49 4YZ 0.08138 -0.06062 0.05744 -0.30637 -0.22911 50 6 H 1S 0.03565 -0.08597 0.01520 -0.16543 -0.11656 51 2S -0.05435 -0.44754 -0.03306 -0.25736 -0.33530 52 7 C 1S -0.00560 -0.03001 -0.00758 -0.00579 -0.01776 53 2S -0.15854 -0.63356 -0.02569 -0.14941 -0.21060 54 2PX -0.02934 -0.06888 0.00081 -0.06012 -0.14273 55 2PY 0.01444 0.11309 -0.00626 -0.00794 -0.01614 56 2PZ -0.04412 -0.04557 -0.00845 -0.01416 -0.14962 57 3S 0.43809 2.75585 0.11672 1.10512 1.60981 58 3PX 0.19212 -0.53713 0.00387 0.18807 0.05142 59 3PY 0.15380 -1.82989 -0.18154 -0.50772 -0.87222 60 3PZ -0.23941 0.43080 -0.01549 -0.01502 0.25090 61 4XX -0.18969 0.06231 -0.12260 -0.13262 -0.09677 62 4YY 0.33465 -0.21223 -0.07660 0.03794 0.09348 63 4ZZ -0.11983 0.24619 0.19519 0.14481 0.08894 64 4XY -0.27581 0.29433 0.03575 -0.05679 -0.13914 65 4XZ 0.10743 -0.20836 -0.09796 -0.04913 -0.20223 66 4YZ 0.11971 -0.14946 0.08357 0.22454 -0.12032 67 8 H 1S -0.24481 0.21672 0.06734 0.00605 -0.01333 68 2S -0.10032 0.41335 0.06028 0.08671 0.18091 69 9 C 1S -0.00902 -0.04518 -0.00308 -0.00478 0.00360 70 2S -0.01603 -0.23768 -0.13679 -0.32482 0.38957 71 2PX 0.04409 -0.02990 -0.02810 -0.03936 0.02855 72 2PY -0.02304 0.00246 0.01279 -0.05412 0.02506 73 2PZ -0.00965 -0.12405 0.05871 0.04417 -0.13813 74 3S 0.07804 2.46505 0.15428 0.95037 -0.09736 75 3PX -0.00323 -0.42901 0.12916 0.40360 -0.46772 76 3PY 0.03185 0.59303 -0.02650 0.00683 -0.10963 77 3PZ -0.13611 -0.41320 -0.03978 -0.34845 -0.10731 78 4XX 0.18300 0.12502 -0.03177 0.22142 -0.14613 79 4YY -0.02472 0.09676 -0.04747 -0.13084 0.09705 80 4ZZ -0.18515 -0.22750 0.11087 -0.00521 -0.02676 81 4XY -0.12622 0.41833 -0.00504 0.10462 0.03531 82 4XZ 0.45762 0.18558 -0.21443 0.01850 0.21787 83 4YZ 0.10124 -0.11235 -0.04531 0.03139 -0.12403 84 10 H 1S 0.26825 -0.19082 -0.11760 -0.03167 0.08328 85 2S -0.02703 -0.06613 0.08278 0.08558 -0.11632 86 11 H 1S -0.26137 -0.06707 0.05951 -0.20438 0.07132 87 2S 0.12499 0.01811 -0.17049 -0.13591 0.21279 88 12 C 1S -0.00902 0.04518 -0.00308 0.00478 -0.00360 89 2S -0.01602 0.23768 -0.13679 0.32483 -0.38957 90 2PX 0.04409 0.02990 -0.02810 0.03936 -0.02855 91 2PY 0.02304 0.00245 -0.01279 -0.05411 0.02505 92 2PZ -0.00964 0.12405 0.05871 -0.04417 0.13813 93 3S 0.07800 -2.46506 0.15428 -0.95037 0.09736 94 3PX -0.00322 0.42901 0.12915 -0.40360 0.46772 95 3PY -0.03184 0.59302 0.02650 0.00681 -0.10964 96 3PZ -0.13611 0.41323 -0.03977 0.34845 0.10731 97 4XX 0.18300 -0.12502 -0.03177 -0.22142 0.14613 98 4YY -0.02472 -0.09675 -0.04747 0.13084 -0.09704 99 4ZZ -0.18515 0.22750 0.11087 0.00521 0.02676 100 4XY 0.12621 0.41833 0.00504 0.10462 0.03532 101 4XZ 0.45763 -0.18557 -0.21443 -0.01850 -0.21787 102 4YZ -0.10123 -0.11236 0.04531 0.03140 -0.12403 103 13 H 1S 0.26825 0.19081 -0.11760 0.03167 -0.08328 104 2S -0.02703 0.06613 0.08278 -0.08558 0.11632 105 14 H 1S -0.26137 0.06708 0.05951 0.20437 -0.07132 106 2S 0.12499 -0.01811 -0.17049 0.13591 -0.21278 107 15 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00000 108 2S -0.02632 0.00000 -0.22521 0.00000 0.00000 109 2PX -0.01466 0.00000 -0.00264 0.00000 0.00000 110 2PY 0.00000 -0.02985 0.00000 -0.02849 -0.00330 111 2PZ -0.00714 0.00000 -0.00542 0.00000 0.00000 112 3S 0.14800 0.00000 0.59236 0.00000 0.00000 113 3PX -0.09920 0.00000 -0.38694 0.00000 0.00000 114 3PY 0.00000 0.00449 0.00000 0.05830 -0.00058 115 3PZ 0.03681 0.00000 -0.23914 0.00000 0.00000 116 4XX 0.05824 0.00000 0.22068 0.00000 0.00000 117 4YY 0.02477 0.00000 0.17278 0.00001 0.00000 118 4ZZ -0.08571 0.00000 -0.39343 -0.00001 0.00000 119 4XY 0.00000 -0.12321 -0.00001 0.11997 0.18073 120 4XZ 0.07827 0.00000 0.33391 0.00000 0.00000 121 4YZ 0.00000 0.11213 0.00001 -0.20538 -0.11531 122 16 C 1S 0.00916 -0.00588 0.01448 0.00442 -0.03591 123 2S 0.06241 -0.06755 0.41270 0.33358 -0.81763 124 2PX 0.03246 0.02025 0.01620 0.05094 -0.11568 125 2PY -0.01083 -0.02200 0.15948 -0.00251 0.05854 126 2PZ 0.00215 0.04068 0.03539 0.10903 -0.22814 127 3S -0.24777 0.58268 -0.42815 -0.88925 3.33683 128 3PX -0.02454 -0.12272 -0.08102 -0.32950 0.96834 129 3PY 0.10560 0.24430 -0.23381 -0.65769 1.54173 130 3PZ -0.16568 0.03490 -0.40233 -0.38018 1.83970 131 4XX 0.08582 0.02581 0.33007 -0.17216 0.14940 132 4YY 0.02633 -0.01458 -0.20866 0.01938 0.02537 133 4ZZ -0.10175 0.01311 -0.14997 0.10858 -0.07803 134 4XY -0.03435 -0.03349 -0.04763 0.01939 0.00141 135 4XZ 0.00419 -0.14629 -0.16193 -0.20590 0.20433 136 4YZ 0.08957 0.07227 0.14668 -0.02106 -0.06622 137 17 C 1S 0.00916 0.00588 0.01448 -0.00442 0.03591 138 2S 0.06241 0.06755 0.41270 -0.33358 0.81763 139 2PX 0.03246 -0.02025 0.01620 -0.05094 0.11568 140 2PY 0.01083 -0.02200 -0.15948 -0.00251 0.05853 141 2PZ 0.00215 -0.04068 0.03539 -0.10903 0.22814 142 3S -0.24778 -0.58268 -0.42815 0.88925 -3.33683 143 3PX -0.02454 0.12272 -0.08101 0.32950 -0.96834 144 3PY -0.10559 0.24430 0.23382 -0.65770 1.54180 145 3PZ -0.16568 -0.03489 -0.40232 0.38015 -1.83963 146 4XX 0.08582 -0.02581 0.33007 0.17216 -0.14940 147 4YY 0.02634 0.01458 -0.20865 -0.01938 -0.02537 148 4ZZ -0.10176 -0.01310 -0.14998 -0.10858 0.07802 149 4XY 0.03435 -0.03350 0.04764 0.01939 0.00141 150 4XZ 0.00420 0.14629 -0.16193 0.20590 -0.20433 151 4YZ -0.08957 0.07227 -0.14668 -0.02106 -0.06623 152 18 H 1S 0.00469 0.00000 -0.01860 0.00000 0.00000 153 2S 0.02713 0.00000 0.07717 0.00000 0.00000 154 19 H 1S -0.00905 -0.01742 -0.00115 -0.06409 0.22743 155 2S -0.01737 -0.05155 -0.15348 -0.23208 0.60874 156 20 H 1S -0.00905 0.01742 -0.00115 0.06409 -0.22743 157 2S -0.01737 0.05155 -0.15348 0.23208 -0.60874 158 21 H 1S 0.04243 0.00000 0.21636 0.00000 0.00000 159 2S -0.10817 0.00000 -0.07886 0.00000 0.00000 160 22 O 1S -0.00069 0.00381 0.01180 0.01388 -0.02468 161 2S -0.02153 -0.11116 -0.11461 -0.16125 -0.08553 162 2PX -0.01405 0.03723 0.00228 0.11132 -0.07190 163 2PY 0.00733 0.03271 0.05182 0.05846 -0.06706 164 2PZ 0.00968 0.02405 -0.05035 0.03616 -0.09270 165 3S 0.11262 0.14899 0.07818 -0.08925 1.26688 166 3PX -0.04674 -0.03961 -0.20899 -0.15647 -0.32704 167 3PY 0.01690 -0.08063 0.02034 0.01648 -0.15842 168 3PZ -0.04914 -0.03901 0.01839 0.01343 0.02199 169 4XX 0.15549 0.05813 0.44491 0.03005 -0.07604 170 4YY -0.03043 -0.00526 -0.04911 -0.04233 -0.07281 171 4ZZ -0.13742 -0.06475 -0.35879 0.02548 0.06391 172 4XY -0.02971 -0.06701 -0.10015 0.11038 0.04035 173 4XZ -0.03538 0.02313 -0.13968 0.11893 -0.32515 174 4YZ -0.01277 0.07515 0.01330 -0.13109 -0.08737 175 23 O 1S -0.00069 -0.00381 0.01180 -0.01388 0.02468 176 2S -0.02152 0.11116 -0.11461 0.16125 0.08553 177 2PX -0.01405 -0.03723 0.00228 -0.11132 0.07190 178 2PY -0.00733 0.03272 -0.05182 0.05846 -0.06706 179 2PZ 0.00968 -0.02405 -0.05036 -0.03616 0.09270 180 3S 0.11262 -0.14899 0.07818 0.08925 -1.26689 181 3PX -0.04674 0.03961 -0.20899 0.15647 0.32704 182 3PY -0.01690 -0.08063 -0.02034 0.01648 -0.15842 183 3PZ -0.04914 0.03900 0.01839 -0.01343 -0.02200 184 4XX 0.15549 -0.05813 0.44491 -0.03005 0.07604 185 4YY -0.03044 0.00525 -0.04910 0.04234 0.07282 186 4ZZ -0.13741 0.06476 -0.35879 -0.02549 -0.06391 187 4XY 0.02971 -0.06701 0.10016 0.11039 0.04034 188 4XZ -0.03538 -0.02313 -0.13968 -0.11893 0.32515 189 4YZ 0.01277 0.07515 -0.01329 -0.13108 -0.08736 156 157 158 159 160 V V V V V Eigenvalues -- 2.31855 2.37116 2.40151 2.43435 2.44808 1 1 C 1S -0.01283 -0.00980 0.01345 -0.05963 -0.02215 2 2S -0.11705 -0.49843 -0.39346 -1.20357 -0.07144 3 2PX -0.04367 -0.06014 -0.08593 0.02547 0.00559 4 2PY -0.03141 -0.14165 -0.11425 -0.20232 0.03011 5 2PZ -0.01821 -0.05724 -0.20368 0.13366 0.04876 6 3S 0.57078 0.59663 0.55184 3.64544 0.75243 7 3PX -0.12461 0.09682 0.11131 0.00995 -0.11020 8 3PY 0.33323 0.76940 0.42855 1.91282 0.19432 9 3PZ 0.10545 -0.00654 -0.15127 0.47518 0.09156 10 4XX 0.39081 0.17610 -0.12078 0.05180 -0.25132 11 4YY -0.00081 -0.20288 0.13987 0.05693 0.21174 12 4ZZ -0.38185 0.08512 0.12899 0.08235 0.04069 13 4XY -0.03374 -0.06823 0.11109 0.02398 -0.08579 14 4XZ 0.19115 -0.00699 -0.08923 0.23907 0.05724 15 4YZ 0.31883 -0.21518 -0.07684 0.14045 0.09934 16 2 H 1S -0.02992 0.21467 -0.02767 0.01696 -0.15578 17 2S 0.11517 0.17117 0.11873 0.36932 0.05446 18 3 C 1S 0.01657 0.00557 0.00278 -0.03284 0.01158 19 2S 0.20371 0.04834 0.02191 -0.20620 0.07411 20 2PX 0.04270 -0.07423 0.03288 -0.12596 0.00408 21 2PY 0.14729 0.04619 -0.07463 0.16088 -0.02589 22 2PZ -0.05279 -0.04209 0.00969 -0.08319 0.00889 23 3S -0.48681 -1.15320 -0.53306 -0.60533 -0.43377 24 3PX -0.10928 -0.29310 -0.32161 -0.39628 -0.15599 25 3PY -0.08633 -0.70939 -0.16968 0.16599 0.10217 26 3PZ -0.24523 -0.28086 -0.36033 -0.42455 -0.10977 27 4XX 0.43968 -0.02166 -0.22373 -0.14439 -0.07995 28 4YY -0.22123 -0.03268 -0.03909 0.25341 0.08809 29 4ZZ -0.16257 -0.01991 0.27728 -0.13174 -0.01205 30 4XY -0.06899 -0.17703 0.44802 -0.15914 -0.02552 31 4XZ -0.12287 0.08338 0.11310 0.29238 -0.14903 32 4YZ 0.15351 -0.04238 -0.19934 0.12969 -0.07024 33 4 H 1S 0.02361 -0.00512 -0.18323 -0.13565 0.11049 34 2S -0.04908 -0.19332 -0.09154 -0.02032 -0.03304 35 5 C 1S 0.01657 -0.00557 -0.00278 0.03284 0.01158 36 2S 0.20373 -0.04834 -0.02191 0.20620 0.07411 37 2PX 0.04270 0.07423 -0.03288 0.12597 0.00408 38 2PY -0.14729 0.04619 -0.07463 0.16087 0.02589 39 2PZ -0.05279 0.04210 -0.00969 0.08319 0.00890 40 3S -0.48686 1.15321 0.53306 0.60534 -0.43377 41 3PX -0.10930 0.29310 0.32161 0.39629 -0.15599 42 3PY 0.08636 -0.70940 -0.16969 0.16598 -0.10217 43 3PZ -0.24525 0.28083 0.36032 0.42456 -0.10978 44 4XX 0.43968 0.02166 0.22373 0.14439 -0.07995 45 4YY -0.22122 0.03269 0.03911 -0.25342 0.08809 46 4ZZ -0.16258 0.01990 -0.27729 0.13175 -0.01204 47 4XY 0.06899 -0.17703 0.44803 -0.15913 0.02553 48 4XZ -0.12287 -0.08339 -0.11309 -0.29238 -0.14903 49 4YZ -0.15352 -0.04238 -0.19932 0.12967 0.07024 50 6 H 1S 0.02361 0.00512 0.18323 0.13565 0.11049 51 2S -0.04909 0.19332 0.09154 0.02032 -0.03304 52 7 C 1S -0.01283 0.00980 -0.01345 0.05963 -0.02215 53 2S -0.11705 0.49843 0.39346 1.20357 -0.07144 54 2PX -0.04367 0.06014 0.08593 -0.02547 0.00559 55 2PY 0.03141 -0.14165 -0.11426 -0.20231 -0.03011 56 2PZ -0.01822 0.05724 0.20367 -0.13366 0.04876 57 3S 0.57082 -0.59664 -0.55185 -3.64547 0.75242 58 3PX -0.12461 -0.09682 -0.11131 -0.00994 -0.11020 59 3PY -0.33325 0.76940 0.42854 1.91284 -0.19433 60 3PZ 0.10544 0.00657 0.15129 -0.47511 0.09155 61 4XX 0.39080 -0.17611 0.12078 -0.05180 -0.25132 62 4YY -0.00078 0.20290 -0.13986 -0.05694 0.21175 63 4ZZ -0.38187 -0.08514 -0.12899 -0.08234 0.04068 64 4XY 0.03373 -0.06823 0.11108 0.02399 0.08579 65 4XZ 0.19115 0.00699 0.08924 -0.23907 0.05725 66 4YZ -0.31881 -0.21517 -0.07684 0.14045 -0.09933 67 8 H 1S -0.02992 -0.21467 0.02767 -0.01695 -0.15578 68 2S 0.11518 -0.17117 -0.11873 -0.36932 0.05446 69 9 C 1S 0.00908 -0.03634 -0.01019 0.08725 0.01630 70 2S -0.14248 -0.30673 -0.04530 0.54265 0.09257 71 2PX 0.00443 -0.07040 0.01124 -0.00266 0.01842 72 2PY -0.05591 0.08808 0.06828 -0.06174 0.01344 73 2PZ 0.02264 0.08781 0.01362 0.13747 0.05356 74 3S -0.08266 0.74534 0.00274 -4.01296 -0.50274 75 3PX -0.06757 0.12548 -0.19947 0.77280 0.05963 76 3PY 0.01934 0.46703 -0.08526 -0.99673 0.07671 77 3PZ 0.13272 -0.51241 -0.12042 1.13489 0.18658 78 4XX 0.00200 -0.41703 -0.31067 0.37332 0.08989 79 4YY 0.18370 0.17474 0.12080 -0.21780 0.05227 80 4ZZ -0.13454 0.23386 0.15810 -0.14926 -0.13843 81 4XY 0.13977 0.32198 0.11033 0.11687 -0.03280 82 4XZ 0.02849 -0.05777 0.08460 0.01659 -0.14631 83 4YZ 0.06192 -0.28814 0.41439 0.14893 -0.03402 84 10 H 1S -0.00841 -0.12707 0.10415 0.23194 -0.01621 85 2S -0.08646 0.28068 -0.06003 0.08816 0.02000 86 11 H 1S 0.09811 0.23944 0.21530 0.05893 -0.02844 87 2S -0.04169 -0.08096 -0.02159 -0.20923 0.13077 88 12 C 1S 0.00908 0.03634 0.01019 -0.08725 0.01630 89 2S -0.14248 0.30673 0.04530 -0.54265 0.09257 90 2PX 0.00443 0.07040 -0.01124 0.00266 0.01842 91 2PY 0.05591 0.08809 0.06828 -0.06174 -0.01344 92 2PZ 0.02264 -0.08781 -0.01361 -0.13747 0.05356 93 3S -0.08267 -0.74534 -0.00274 4.01297 -0.50273 94 3PX -0.06756 -0.12548 0.19947 -0.77280 0.05963 95 3PY -0.01935 0.46701 -0.08527 -0.99668 -0.07671 96 3PZ 0.13272 0.51242 0.12042 -1.13494 0.18658 97 4XX 0.00200 0.41703 0.31067 -0.37332 0.08989 98 4YY 0.18370 -0.17472 -0.12083 0.21779 0.05227 99 4ZZ -0.13455 -0.23388 -0.15807 0.14927 -0.13842 100 4XY -0.13977 0.32197 0.11034 0.11687 0.03280 101 4XZ 0.02847 0.05779 -0.08460 -0.01658 -0.14631 102 4YZ -0.06191 -0.28814 0.41439 0.14893 0.03403 103 13 H 1S -0.00842 0.12707 -0.10415 -0.23194 -0.01621 104 2S -0.08646 -0.28068 0.06003 -0.08816 0.02000 105 14 H 1S 0.09811 -0.23944 -0.21530 -0.05893 -0.02844 106 2S -0.04170 0.08096 0.02159 0.20923 0.13077 107 15 C 1S -0.00230 0.00000 0.00000 0.00000 0.00404 108 2S -0.17437 0.00000 0.00000 0.00000 -0.01195 109 2PX 0.05154 0.00000 0.00000 0.00000 0.03017 110 2PY 0.00000 0.00369 0.01964 -0.01621 0.00000 111 2PZ 0.02231 0.00000 0.00000 0.00000 -0.00132 112 3S 0.19978 0.00000 0.00000 0.00000 -0.14552 113 3PX -0.24729 0.00000 0.00000 0.00000 0.04785 114 3PY 0.00000 0.03443 -0.01721 -0.10845 0.00000 115 3PZ 0.02389 0.00000 0.00000 0.00000 0.23892 116 4XX 0.14744 0.00000 0.00000 0.00000 0.64502 117 4YY 0.08183 0.00000 0.00000 0.00000 0.01968 118 4ZZ -0.19893 0.00000 0.00000 0.00000 -0.64623 119 4XY 0.00000 0.06844 0.09079 0.15300 0.00000 120 4XZ 0.06421 0.00000 0.00000 0.00000 -0.10422 121 4YZ 0.00000 -0.12402 -0.08204 -0.03670 0.00001 122 16 C 1S 0.00623 0.02961 0.01474 0.03474 0.00275 123 2S 0.11103 0.67422 0.06279 0.35722 -0.06154 124 2PX -0.00152 0.02419 -0.06267 0.00332 -0.01803 125 2PY 0.04716 -0.04966 -0.03669 -0.07568 0.00735 126 2PZ -0.00424 0.14790 -0.03062 0.01439 -0.01522 127 3S -0.18702 -2.73271 -0.64378 -1.86840 -0.02123 128 3PX -0.07594 -0.45845 0.12513 0.26825 -0.16576 129 3PY -0.06605 -1.25596 -0.13845 -0.59191 -0.04441 130 3PZ -0.14926 -1.20145 -0.05219 -0.40843 0.02837 131 4XX 0.09655 -0.22689 -0.02315 0.08759 -0.28044 132 4YY -0.05352 -0.02313 -0.04599 -0.07922 0.03294 133 4ZZ -0.04824 0.14136 0.06389 -0.03198 0.26991 134 4XY -0.01202 -0.07976 -0.09016 -0.17188 0.04705 135 4XZ -0.07030 -0.02414 0.06040 0.10252 0.01957 136 4YZ 0.05578 0.06469 0.06178 0.15491 0.00572 137 17 C 1S 0.00623 -0.02961 -0.01474 -0.03474 0.00275 138 2S 0.11105 -0.67422 -0.06279 -0.35722 -0.06154 139 2PX -0.00152 -0.02419 0.06267 -0.00332 -0.01803 140 2PY -0.04716 -0.04965 -0.03669 -0.07568 -0.00735 141 2PZ -0.00424 -0.14790 0.03061 -0.01439 -0.01522 142 3S -0.18709 2.73271 0.64378 1.86840 -0.02123 143 3PX -0.07597 0.45845 -0.12513 -0.26825 -0.16576 144 3PY 0.06609 -1.25601 -0.13845 -0.59193 0.04441 145 3PZ -0.14930 1.20141 0.05219 0.40841 0.02837 146 4XX 0.09655 0.22689 0.02315 -0.08759 -0.28045 147 4YY -0.05352 0.02312 0.04599 0.07921 0.03294 148 4ZZ -0.04824 -0.14136 -0.06389 0.03199 0.26991 149 4XY 0.01203 -0.07976 -0.09016 -0.17188 -0.04706 150 4XZ -0.07031 0.02413 -0.06040 -0.10253 0.01957 151 4YZ -0.05578 0.06469 0.06179 0.15491 -0.00573 152 18 H 1S -0.02664 0.00000 0.00000 0.00000 -0.34751 153 2S 0.11132 0.00000 0.00000 0.00000 0.17198 154 19 H 1S -0.01165 -0.15670 0.01290 0.00707 -0.11080 155 2S -0.03609 -0.40350 0.02579 -0.00606 0.03427 156 20 H 1S -0.01165 0.15670 -0.01290 -0.00707 -0.11080 157 2S -0.03610 0.40350 -0.02579 0.00606 0.03427 158 21 H 1S 0.07232 0.00000 0.00000 0.00000 0.33276 159 2S -0.08991 0.00000 0.00000 0.00000 -0.28913 160 22 O 1S -0.00066 0.01629 0.00067 -0.01017 -0.01358 161 2S -0.09062 0.07090 0.09542 0.11033 -0.05391 162 2PX -0.00607 0.05276 -0.02079 -0.05450 -0.04952 163 2PY 0.02231 0.02576 -0.02713 -0.03275 0.00411 164 2PZ -0.01244 0.02569 -0.02205 0.01991 0.03766 165 3S 0.17926 -0.84508 -0.19585 -0.22103 0.34009 166 3PX -0.06598 0.13222 0.06450 0.21245 0.13754 167 3PY -0.04564 0.16207 0.07935 0.05645 -0.15557 168 3PZ -0.04359 0.05409 0.06387 -0.05580 -0.23241 169 4XX 0.15036 0.03307 -0.03751 -0.22029 -0.18479 170 4YY 0.01111 0.01455 -0.00469 0.03523 0.04268 171 4ZZ -0.17885 0.02771 0.06719 0.15275 0.07295 172 4XY -0.08737 0.09223 0.03307 0.02672 -0.24412 173 4XZ -0.02549 0.17210 -0.04475 0.16063 0.10060 174 4YZ 0.04773 -0.10950 -0.07844 -0.03250 0.35418 175 23 O 1S -0.00066 -0.01629 -0.00067 0.01017 -0.01358 176 2S -0.09061 -0.07090 -0.09542 -0.11033 -0.05391 177 2PX -0.00607 -0.05276 0.02079 0.05450 -0.04952 178 2PY -0.02231 0.02577 -0.02713 -0.03275 -0.00412 179 2PZ -0.01244 -0.02569 0.02205 -0.01992 0.03766 180 3S 0.17923 0.84508 0.19585 0.22102 0.34009 181 3PX -0.06597 -0.13222 -0.06450 -0.21245 0.13754 182 3PY 0.04563 0.16207 0.07935 0.05645 0.15558 183 3PZ -0.04359 -0.05408 -0.06387 0.05580 -0.23241 184 4XX 0.15036 -0.03307 0.03751 0.22029 -0.18479 185 4YY 0.01111 -0.01454 0.00469 -0.03522 0.04271 186 4ZZ -0.17886 -0.02772 -0.06719 -0.15275 0.07293 187 4XY 0.08737 0.09224 0.03307 0.02673 0.24412 188 4XZ -0.02548 -0.17209 0.04475 -0.16063 0.10061 189 4YZ -0.04772 -0.10950 -0.07844 -0.03249 -0.35418 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48407 2.52224 2.54538 2.59889 1 1 C 1S -0.05674 -0.01408 0.02280 0.01260 -0.00751 2 2S -0.15187 -0.27687 0.29629 0.67663 -0.01988 3 2PX -0.01062 -0.03314 -0.00382 -0.00818 -0.03731 4 2PY 0.07945 -0.03910 0.06422 0.15928 0.00595 5 2PZ 0.07214 -0.04804 -0.08619 0.03367 -0.02233 6 3S 1.68617 0.51885 -0.92648 -1.33198 0.15547 7 3PX -0.09756 0.08486 -0.32151 0.36674 -0.06654 8 3PY 0.42783 0.12713 -0.48825 -0.98461 0.15563 9 3PZ 0.16949 -0.24182 -0.24967 0.14867 -0.07565 10 4XX -0.37551 0.05328 0.01638 -0.11724 0.03210 11 4YY 0.36618 -0.02816 -0.03787 0.00353 -0.18676 12 4ZZ -0.02305 0.01892 0.00725 -0.07044 0.15726 13 4XY -0.17745 -0.01731 0.06977 -0.04214 0.02847 14 4XZ 0.17504 -0.02675 -0.10184 -0.03904 0.09888 15 4YZ 0.21359 -0.08790 -0.12821 0.10914 -0.05452 16 2 H 1S -0.32054 -0.03200 0.05152 -0.09863 0.11053 17 2S 0.12307 0.03055 -0.11491 -0.25486 0.02786 18 3 C 1S 0.02265 0.00318 0.00735 0.00398 0.00821 19 2S 0.09619 -0.06928 0.30707 0.10878 0.07332 20 2PX -0.01344 -0.02445 0.06992 0.07490 -0.03989 21 2PY -0.00948 0.00224 -0.00298 -0.03047 0.07363 22 2PZ -0.00578 -0.00904 0.05349 0.03731 -0.03024 23 3S -0.79998 -0.16799 -0.41280 0.71847 -0.26768 24 3PX -0.29682 -0.11882 -0.28544 0.31744 -0.12907 25 3PY 0.16635 0.05134 -0.02285 -0.10358 -0.01887 26 3PZ -0.25907 -0.17661 -0.13638 0.37572 -0.06726 27 4XX -0.06640 0.00704 -0.09886 0.04652 -0.02800 28 4YY 0.12617 -0.01319 0.00119 -0.04097 -0.06570 29 4ZZ -0.05635 0.02219 0.01878 -0.00885 0.08422 30 4XY -0.02821 0.08753 -0.08448 0.05406 0.08153 31 4XZ -0.32000 -0.02703 -0.11489 -0.08581 -0.00746 32 4YZ -0.07913 -0.10161 0.01051 0.01101 0.03906 33 4 H 1S 0.19046 0.00541 0.05268 0.03157 -0.03710 34 2S -0.08713 -0.06931 -0.08889 0.07048 -0.00641 35 5 C 1S 0.02265 -0.00318 -0.00735 -0.00398 0.00821 36 2S 0.09619 0.06928 -0.30707 -0.10878 0.07332 37 2PX -0.01344 0.02445 -0.06992 -0.07490 -0.03989 38 2PY 0.00948 0.00224 -0.00298 -0.03047 -0.07363 39 2PZ -0.00578 0.00904 -0.05349 -0.03731 -0.03025 40 3S -0.79998 0.16799 0.41280 -0.71847 -0.26768 41 3PX -0.29681 0.11882 0.28544 -0.31744 -0.12907 42 3PY -0.16634 0.05133 -0.02285 -0.10357 0.01887 43 3PZ -0.25907 0.17661 0.13638 -0.37572 -0.06726 44 4XX -0.06639 -0.00704 0.09886 -0.04652 -0.02800 45 4YY 0.12616 0.01320 -0.00119 0.04097 -0.06570 46 4ZZ -0.05635 -0.02220 -0.01878 0.00885 0.08422 47 4XY 0.02822 0.08753 -0.08448 0.05406 -0.08153 48 4XZ -0.32001 0.02703 0.11489 0.08581 -0.00746 49 4YZ 0.07914 -0.10161 0.01051 0.01101 -0.03907 50 6 H 1S 0.19046 -0.00541 -0.05268 -0.03157 -0.03710 51 2S -0.08713 0.06931 0.08889 -0.07048 -0.00641 52 7 C 1S -0.05674 0.01408 -0.02280 -0.01260 -0.00751 53 2S -0.15185 0.27687 -0.29629 -0.67663 -0.01988 54 2PX -0.01062 0.03314 0.00382 0.00818 -0.03731 55 2PY -0.07945 -0.03911 0.06422 0.15928 -0.00595 56 2PZ 0.07214 0.04804 0.08620 -0.03367 -0.02233 57 3S 1.68611 -0.51886 0.92648 1.33198 0.15547 58 3PX -0.09756 -0.08486 0.32151 -0.36674 -0.06654 59 3PY -0.42781 0.12712 -0.48826 -0.98460 -0.15563 60 3PZ 0.16947 0.24183 0.24965 -0.14871 -0.07565 61 4XX -0.37551 -0.05328 -0.01638 0.11724 0.03210 62 4YY 0.36620 0.02817 0.03788 -0.00354 -0.18676 63 4ZZ -0.02306 -0.01892 -0.00726 0.07045 0.15726 64 4XY 0.17744 -0.01731 0.06977 -0.04214 -0.02847 65 4XZ 0.17505 0.02675 0.10185 0.03904 0.09887 66 4YZ -0.21357 -0.08790 -0.12821 0.10913 0.05450 67 8 H 1S -0.32055 0.03200 -0.05152 0.09864 0.11053 68 2S 0.12306 -0.03055 0.11491 0.25486 0.02786 69 9 C 1S 0.02643 -0.01999 -0.05256 0.00482 0.00355 70 2S 0.16752 -0.23782 -0.42382 0.09523 -0.24076 71 2PX 0.05140 -0.01961 -0.03152 0.04954 -0.03303 72 2PY 0.04569 0.03118 0.05658 -0.04511 -0.03160 73 2PZ 0.07000 0.02880 0.01270 -0.09537 0.10859 74 3S -0.78676 0.74761 2.12664 0.32399 0.06825 75 3PX 0.02822 0.09962 0.48340 -0.90827 0.19654 76 3PY 0.06999 0.27908 0.64356 0.11158 0.08515 77 3PZ 0.54487 -0.24629 -0.90323 0.32878 -0.21697 78 4XX 0.16206 -0.09305 -0.01372 -0.04856 0.08431 79 4YY 0.09008 0.09083 0.18748 -0.10951 0.01265 80 4ZZ -0.25601 0.03806 -0.15184 0.14386 -0.00202 81 4XY 0.03651 0.02012 -0.32908 0.16402 -0.06086 82 4XZ -0.31671 0.09030 0.40994 -0.42660 0.02384 83 4YZ -0.10881 -0.03785 -0.06751 -0.10374 -0.03729 84 10 H 1S -0.13323 0.02077 0.28837 -0.42939 0.03839 85 2S -0.06032 0.07880 0.13392 -0.20613 0.15175 86 11 H 1S 0.07927 -0.01594 -0.46440 0.31683 -0.11704 87 2S -0.05444 -0.09438 0.07211 0.10225 0.06660 88 12 C 1S 0.02643 0.01998 0.05256 -0.00482 0.00355 89 2S 0.16751 0.23782 0.42382 -0.09523 -0.24076 90 2PX 0.05140 0.01961 0.03152 -0.04954 -0.03303 91 2PY -0.04569 0.03118 0.05658 -0.04512 0.03159 92 2PZ 0.06999 -0.02880 -0.01269 0.09537 0.10859 93 3S -0.78669 -0.74761 -2.12664 -0.32398 0.06825 94 3PX 0.02821 -0.09962 -0.48340 0.90827 0.19654 95 3PY -0.07003 0.27907 0.64352 0.11159 -0.08514 96 3PZ 0.54485 0.24630 0.90325 -0.32878 -0.21697 97 4XX 0.16205 0.09305 0.01372 0.04856 0.08431 98 4YY 0.09007 -0.09083 -0.18747 0.10952 0.01265 99 4ZZ -0.25600 -0.03806 0.15183 -0.14387 -0.00201 100 4XY -0.03650 0.02012 -0.32907 0.16401 0.06085 101 4XZ -0.31671 -0.09030 -0.40995 0.42660 0.02384 102 4YZ 0.10882 -0.03785 -0.06752 -0.10373 0.03729 103 13 H 1S -0.13323 -0.02077 -0.28837 0.42939 0.03839 104 2S -0.06033 -0.07880 -0.13392 0.20613 0.15175 105 14 H 1S 0.07927 0.01594 0.46440 -0.31683 -0.11704 106 2S -0.05444 0.09438 -0.07211 -0.10225 0.06660 107 15 C 1S 0.01004 0.00000 0.00000 0.00000 0.07428 108 2S -0.17438 0.00000 0.00000 0.00000 -0.43897 109 2PX 0.08384 0.00000 0.00000 0.00000 0.37889 110 2PY 0.00000 -0.08066 0.00676 0.02807 -0.00001 111 2PZ 0.05890 0.00000 0.00000 0.00000 0.41719 112 3S -0.06279 0.00000 0.00000 0.00000 -2.14700 113 3PX -0.11050 0.00000 0.00000 0.00000 0.79010 114 3PY 0.00000 -0.05020 0.12137 0.02706 -0.00001 115 3PZ 0.03623 0.00000 0.00000 0.00000 0.57055 116 4XX -0.36866 0.00000 0.00000 0.00000 0.10365 117 4YY 0.01286 0.00000 0.00001 0.00001 0.02702 118 4ZZ 0.41613 0.00000 -0.00001 -0.00001 0.04160 119 4XY 0.00000 0.03658 0.16062 0.09173 0.00001 120 4XZ -0.04261 0.00000 0.00000 0.00000 -0.56707 121 4YZ -0.00001 0.00437 -0.31424 -0.17747 0.00000 122 16 C 1S 0.00841 -0.01127 0.00394 -0.01698 0.03374 123 2S -0.12549 0.51012 0.11086 -0.54569 0.01605 124 2PX 0.03147 0.09575 0.00966 -0.06935 -0.22954 125 2PY -0.02414 0.16255 -0.01934 -0.01109 0.15523 126 2PZ -0.03396 0.09470 0.07564 -0.10303 -0.09651 127 3S -0.04881 -0.01764 -0.83476 1.62262 -0.72269 128 3PX 0.02371 0.66291 -0.75494 -0.05482 -0.40332 129 3PY 0.07958 0.40206 -0.73920 0.67742 -0.21204 130 3PZ 0.01311 -0.27170 -0.74633 0.52687 -0.53826 131 4XX 0.10251 0.29377 0.01519 0.30043 -0.09030 132 4YY 0.04523 0.23432 -0.00372 -0.03085 0.09028 133 4ZZ -0.07572 -0.62802 -0.04109 -0.17389 0.03607 134 4XY -0.03106 0.29751 -0.31649 -0.32419 -0.04148 135 4XZ -0.03646 -0.02313 -0.13627 -0.14560 -0.39511 136 4YZ -0.02695 -0.11515 0.23720 0.26316 0.00605 137 17 C 1S 0.00841 0.01127 -0.00394 0.01698 0.03374 138 2S -0.12550 -0.51012 -0.11086 0.54569 0.01605 139 2PX 0.03147 -0.09575 -0.00966 0.06935 -0.22954 140 2PY 0.02414 0.16255 -0.01933 -0.01110 -0.15522 141 2PZ -0.03396 -0.09470 -0.07564 0.10303 -0.09651 142 3S -0.04878 0.01764 0.83476 -1.62262 -0.72269 143 3PX 0.02370 -0.66291 0.75494 0.05482 -0.40332 144 3PY -0.07959 0.40205 -0.73923 0.67744 0.21207 145 3PZ 0.01311 0.27171 0.74630 -0.52685 -0.53825 146 4XX 0.10251 -0.29377 -0.01519 -0.30043 -0.09030 147 4YY 0.04523 -0.23432 0.00371 0.03083 0.09028 148 4ZZ -0.07571 0.62802 0.04111 0.17391 0.03607 149 4XY 0.03106 0.29751 -0.31650 -0.32420 0.04149 150 4XZ -0.03647 0.02314 0.13626 0.14559 -0.39511 151 4YZ 0.02696 -0.11519 0.23720 0.26315 -0.00605 152 18 H 1S 0.21960 0.00000 0.00000 0.00000 -0.01724 153 2S -0.01274 0.00000 0.00000 0.00000 0.04487 154 19 H 1S 0.05348 0.23427 -0.20470 0.01254 0.01941 155 2S 0.02917 0.00314 -0.36672 0.13970 -0.19925 156 20 H 1S 0.05348 -0.23428 0.20470 -0.01254 0.01941 157 2S 0.02917 -0.00314 0.36672 -0.13970 -0.19925 158 21 H 1S -0.23284 0.00000 0.00000 0.00000 0.09792 159 2S 0.09415 0.00000 0.00000 0.00000 0.06375 160 22 O 1S 0.00139 -0.00300 0.02144 -0.00520 -0.06144 161 2S -0.08097 -0.21701 0.01893 0.11442 -0.92390 162 2PX 0.02051 -0.00671 0.06426 -0.05074 -0.01494 163 2PY 0.01418 0.08675 0.00862 -0.02706 0.08657 164 2PZ -0.02204 0.05663 -0.02612 -0.01072 -0.02237 165 3S 0.11534 0.43915 -0.63154 0.06611 3.05719 166 3PX -0.05079 0.10931 -0.04514 0.01805 -0.25908 167 3PY -0.05145 -0.32735 0.19755 0.05718 -1.28060 168 3PZ 0.09507 -0.24640 0.10314 -0.03735 -0.01297 169 4XX 0.02449 -0.38470 -0.11894 -0.26091 -0.22173 170 4YY 0.04355 0.12827 -0.07776 -0.08042 0.37413 171 4ZZ -0.06002 0.21917 0.31347 0.30753 -0.42542 172 4XY 0.11121 0.02708 0.05744 -0.04566 0.09103 173 4XZ -0.00758 0.23577 0.06005 -0.03262 0.31719 174 4YZ -0.20500 0.24647 -0.16014 -0.04144 -0.09798 175 23 O 1S 0.00139 0.00300 -0.02144 0.00520 -0.06144 176 2S -0.08097 0.21701 -0.01893 -0.11442 -0.92390 177 2PX 0.02051 0.00671 -0.06426 0.05074 -0.01494 178 2PY -0.01418 0.08675 0.00862 -0.02706 -0.08657 179 2PZ -0.02204 -0.05663 0.02612 0.01071 -0.02237 180 3S 0.11535 -0.43915 0.63154 -0.06611 3.05719 181 3PX -0.05079 -0.10931 0.04514 -0.01805 -0.25908 182 3PY 0.05145 -0.32736 0.19756 0.05718 1.28060 183 3PZ 0.09507 0.24639 -0.10313 0.03735 -0.01292 184 4XX 0.02450 0.38470 0.11894 0.26091 -0.22173 185 4YY 0.04354 -0.12829 0.07777 0.08043 0.37413 186 4ZZ -0.06001 -0.21916 -0.31348 -0.30753 -0.42541 187 4XY -0.11121 0.02709 0.05744 -0.04566 -0.09105 188 4XZ -0.00758 -0.23576 -0.06004 0.03262 0.31719 189 4YZ 0.20500 0.24648 -0.16013 -0.04142 0.09802 166 167 168 169 170 V V V V V Eigenvalues -- 2.62741 2.64518 2.67568 2.69296 2.69442 1 1 C 1S -0.05663 0.05183 0.01608 -0.00467 -0.00418 2 2S 0.00742 0.62634 0.01425 0.19419 -0.06860 3 2PX -0.18048 0.13247 0.07442 0.14128 0.18612 4 2PY 0.15220 0.03960 -0.04989 0.03530 -0.06818 5 2PZ -0.10573 0.11434 0.06740 0.12063 0.26130 6 3S 1.49280 -3.28216 -0.56746 -0.85075 -0.12656 7 3PX -0.29007 0.49609 0.24076 0.09475 0.61695 8 3PY 0.66665 -1.76847 -0.22736 -0.50845 -0.01979 9 3PZ -0.09906 0.14110 -0.18603 0.10351 0.86594 10 4XX 0.03662 0.08734 -0.19038 -0.30131 -0.21265 11 4YY -0.39025 -0.18183 -0.02142 -0.13755 -0.24549 12 4ZZ 0.29641 0.00324 0.14580 0.34171 0.39774 13 4XY -0.19809 0.21182 0.07140 0.08827 0.43625 14 4XZ 0.63503 -0.23504 -0.05598 -0.08734 -0.03710 15 4YZ -0.18476 0.10318 -0.17756 -0.02676 0.52138 16 2 H 1S 0.20370 0.05724 0.01464 0.06919 0.12386 17 2S 0.03402 -0.33776 -0.13680 -0.13051 -0.05834 18 3 C 1S 0.03650 -0.09125 0.00238 -0.05528 -0.02282 19 2S -0.07586 -0.29579 0.03104 -0.06267 0.08142 20 2PX -0.27694 0.11493 0.01124 0.02844 0.16202 21 2PY 0.27532 0.18518 -0.12228 0.22605 -0.03365 22 2PZ -0.20689 0.07064 0.02521 0.04491 0.16274 23 3S -0.96114 4.83466 -0.18218 2.08459 0.94892 24 3PX -0.41344 1.32183 0.09886 0.44700 0.33621 25 3PY 0.05244 1.45810 -0.45493 0.74553 -0.40552 26 3PZ -0.39098 1.40737 0.32147 0.36518 0.28655 27 4XX -0.07546 -0.19371 -0.09694 -0.37223 0.13077 28 4YY -0.08986 0.44856 -0.24069 0.44502 -0.20941 29 4ZZ 0.16419 -0.23925 0.26487 -0.09817 0.19691 30 4XY 0.31768 0.10294 -0.11042 0.11583 -0.10451 31 4XZ -0.24106 0.46370 0.11134 0.17438 0.39528 32 4YZ 0.24365 0.23612 -0.32451 -0.27872 -0.13753 33 4 H 1S -0.09978 -0.20981 0.07974 -0.00837 -0.11823 34 2S -0.07859 0.56183 -0.02354 0.12813 0.10433 35 5 C 1S 0.03650 0.09125 -0.00238 0.05528 -0.02282 36 2S -0.07586 0.29579 -0.03104 0.06267 0.08142 37 2PX -0.27694 -0.11493 -0.01124 -0.02843 0.16203 38 2PY -0.27531 0.18518 -0.12228 0.22605 0.03364 39 2PZ -0.20690 -0.07064 -0.02522 -0.04489 0.16274 40 3S -0.96115 -4.83466 0.18217 -2.08455 0.94899 41 3PX -0.41344 -1.32182 -0.09886 -0.44699 0.33623 42 3PY -0.05242 1.45816 -0.45492 0.74556 0.40548 43 3PZ -0.39098 -1.40731 -0.32148 -0.36514 0.28657 44 4XX -0.07546 0.19371 0.09694 0.37224 0.13076 45 4YY -0.08985 -0.44857 0.24071 -0.44500 -0.20940 46 4ZZ 0.16417 0.23927 -0.26489 0.09816 0.19692 47 4XY -0.31767 0.10296 -0.11042 0.11584 0.10449 48 4XZ -0.24108 -0.46370 -0.11135 -0.17436 0.39529 49 4YZ -0.24366 0.23609 -0.32448 -0.27873 0.13753 50 6 H 1S -0.09978 0.20981 -0.07974 0.00836 -0.11823 51 2S -0.07860 -0.56183 0.02354 -0.12813 0.10433 52 7 C 1S -0.05663 -0.05183 -0.01608 0.00467 -0.00418 53 2S 0.00742 -0.62634 -0.01425 -0.19419 -0.06860 54 2PX -0.18048 -0.13247 -0.07442 -0.14128 0.18613 55 2PY -0.15220 0.03961 -0.04989 0.03530 0.06816 56 2PZ -0.10574 -0.11434 -0.06740 -0.12062 0.26130 57 3S 1.49281 3.28216 0.56746 0.85074 -0.12659 58 3PX -0.29007 -0.49609 -0.24076 -0.09472 0.61696 59 3PY -0.66665 -1.76846 -0.22737 -0.50844 0.01977 60 3PZ -0.09909 -0.14117 0.18602 -0.10350 0.86595 61 4XX 0.03662 -0.08734 0.19038 0.30130 -0.21267 62 4YY -0.39026 0.18182 0.02143 0.13755 -0.24546 63 4ZZ 0.29642 -0.00323 -0.14581 -0.34170 0.39772 64 4XY 0.19807 0.21181 0.07140 0.08825 -0.43625 65 4XZ 0.63503 0.23504 0.05599 0.08735 -0.03712 66 4YZ 0.18473 0.10318 -0.17755 -0.02676 -0.52141 67 8 H 1S 0.20370 -0.05724 -0.01464 -0.06919 0.12386 68 2S 0.03402 0.33776 0.13680 0.13050 -0.05835 69 9 C 1S 0.02345 -0.02592 0.04805 -0.00106 0.04183 70 2S 0.03995 0.03619 0.01576 -0.29001 -0.04166 71 2PX 0.04960 -0.01445 0.02163 -0.00919 0.06559 72 2PY 0.11855 0.01560 -0.20945 0.01937 0.08282 73 2PZ 0.11413 -0.11239 -0.02057 0.06944 0.18419 74 3S -0.48971 1.44612 -0.82996 0.89301 -0.80753 75 3PX -0.03160 -0.28932 -0.31652 0.25733 0.07086 76 3PY -0.04165 0.42387 -0.69441 0.43237 0.19982 77 3PZ 0.33175 -0.32346 -0.11509 -0.21764 0.46158 78 4XX 0.20396 -0.12021 0.36923 0.12703 0.22688 79 4YY -0.04504 0.07534 -0.65237 0.02250 0.13083 80 4ZZ -0.11236 -0.03901 0.40728 -0.03361 -0.29291 81 4XY 0.00312 -0.01515 -0.08524 -0.16111 -0.07722 82 4XZ 0.00032 -0.04233 0.02748 -0.13532 -0.16268 83 4YZ -0.20609 -0.04406 -0.11856 -0.33097 -0.25405 84 10 H 1S -0.06357 -0.07367 -0.10677 -0.08914 -0.03579 85 2S -0.05822 -0.03254 -0.01694 0.15813 -0.03146 86 11 H 1S -0.02362 -0.01141 -0.07779 -0.16916 -0.03531 87 2S 0.04285 0.05051 0.15061 -0.06243 -0.04626 88 12 C 1S 0.02345 0.02592 -0.04805 0.00106 0.04183 89 2S 0.03995 -0.03619 -0.01576 0.29001 -0.04167 90 2PX 0.04960 0.01445 -0.02163 0.00919 0.06559 91 2PY -0.11855 0.01560 -0.20945 0.01937 -0.08283 92 2PZ 0.11412 0.11239 0.02056 -0.06943 0.18419 93 3S -0.48972 -1.44612 0.82996 -0.89304 -0.80750 94 3PX -0.03160 0.28932 0.31652 -0.25733 0.07087 95 3PY 0.04164 0.42386 -0.69441 0.43235 -0.19985 96 3PZ 0.33175 0.32347 0.11506 0.21767 0.46157 97 4XX 0.20396 0.12021 -0.36923 -0.12702 0.22688 98 4YY -0.04505 -0.07534 0.65238 -0.02248 0.13082 99 4ZZ -0.11234 0.03901 -0.40729 0.03358 -0.29290 100 4XY -0.00312 -0.01515 -0.08524 -0.16112 0.07723 101 4XZ 0.00032 0.04233 -0.02748 0.13531 -0.16268 102 4YZ 0.20610 -0.04407 -0.11851 -0.33097 0.25408 103 13 H 1S -0.06357 0.07367 0.10677 0.08914 -0.03579 104 2S -0.05822 0.03254 0.01694 -0.15813 -0.03145 105 14 H 1S -0.02362 0.01141 0.07779 0.16916 -0.03532 106 2S 0.04285 -0.05051 -0.15061 0.06243 -0.04626 107 15 C 1S -0.01677 0.00000 0.00000 0.00000 -0.01206 108 2S 0.00898 0.00000 0.00000 0.00000 -0.01434 109 2PX -0.06133 0.00000 0.00000 0.00000 -0.03734 110 2PY 0.00000 0.25149 0.17477 -0.26575 0.00001 111 2PZ -0.08975 0.00001 0.00000 -0.00001 -0.06564 112 3S 0.59965 0.00000 0.00000 0.00001 0.41518 113 3PX -0.27696 0.00000 0.00000 0.00000 -0.24205 114 3PY 0.00000 0.35144 0.23154 -0.32590 0.00001 115 3PZ -0.12399 0.00001 0.00000 -0.00001 -0.04760 116 4XX 0.00332 0.00000 0.00000 0.00000 -0.02296 117 4YY -0.01662 0.00001 0.00001 -0.00001 0.00873 118 4ZZ 0.00412 -0.00001 -0.00001 0.00001 0.03943 119 4XY 0.00000 -0.26235 -0.17507 0.26199 -0.00001 120 4XZ 0.14430 -0.00001 0.00000 0.00001 0.09201 121 4YZ 0.00000 -0.26599 -0.18253 0.26987 -0.00001 122 16 C 1S -0.00063 -0.03922 -0.02974 0.03026 0.00185 123 2S -0.05827 -0.17739 -0.08305 0.10944 0.00271 124 2PX 0.10506 -0.08483 -0.01832 0.00634 -0.00620 125 2PY -0.02335 0.24128 0.18958 -0.23522 -0.00045 126 2PZ 0.02047 -0.06662 -0.03226 0.03749 -0.02234 127 3S 0.22443 1.67158 1.23714 -1.21693 -0.07772 128 3PX 0.08609 0.03265 0.12161 0.01679 -0.00559 129 3PY -0.04075 0.89123 0.76106 -0.74893 0.05241 130 3PZ 0.09798 0.46073 0.27558 -0.09569 0.01974 131 4XX 0.01279 -0.21781 -0.22585 0.23838 -0.01030 132 4YY -0.00204 0.43712 0.37426 -0.48170 0.00671 133 4ZZ 0.05122 -0.17942 -0.11281 0.16607 -0.00897 134 4XY 0.01041 0.10109 0.03287 0.02049 0.03004 135 4XZ 0.14137 -0.13135 0.01455 -0.02463 0.00829 136 4YZ 0.00164 0.05108 0.13365 -0.15486 0.02668 137 17 C 1S -0.00063 0.03922 0.02974 -0.03026 0.00185 138 2S -0.05827 0.17739 0.08305 -0.10943 0.00272 139 2PX 0.10506 0.08483 0.01832 -0.00634 -0.00620 140 2PY 0.02334 0.24128 0.18958 -0.23522 0.00046 141 2PZ 0.02047 0.06663 0.03227 -0.03750 -0.02234 142 3S 0.22443 -1.67158 -1.23714 1.21693 -0.07777 143 3PX 0.08609 -0.03265 -0.12161 -0.01679 -0.00559 144 3PY 0.04075 0.89125 0.76107 -0.74893 -0.05238 145 3PZ 0.09798 -0.46069 -0.27555 0.09566 0.01974 146 4XX 0.01279 0.21781 0.22585 -0.23838 -0.01029 147 4YY -0.00204 -0.43713 -0.37427 0.48171 0.00670 148 4ZZ 0.05122 0.17942 0.11282 -0.16608 -0.00897 149 4XY -0.01042 0.10108 0.03287 0.02049 -0.03004 150 4XZ 0.14137 0.13135 -0.01455 0.02463 0.00829 151 4YZ -0.00165 0.05105 0.13363 -0.15483 -0.02668 152 18 H 1S -0.00072 0.00000 0.00000 0.00000 0.02312 153 2S 0.02564 0.00000 0.00000 0.00000 0.04223 154 19 H 1S -0.05738 0.00430 -0.07117 0.11215 -0.00940 155 2S 0.02613 0.19605 0.19770 -0.15478 0.06704 156 20 H 1S -0.05738 -0.00430 0.07117 -0.11215 -0.00940 157 2S 0.02613 -0.19605 -0.19770 0.15478 0.06704 158 21 H 1S -0.03131 0.00000 0.00000 0.00000 -0.05777 159 2S -0.06396 0.00000 0.00000 0.00000 -0.03433 160 22 O 1S 0.01854 0.02776 0.01417 -0.01326 0.00097 161 2S 0.21358 0.11734 0.06530 -0.19101 0.10075 162 2PX 0.00912 0.04494 0.02454 -0.00806 -0.01144 163 2PY -0.01351 0.02123 0.01435 -0.01863 -0.00595 164 2PZ -0.00169 0.01136 0.01156 -0.01808 0.00427 165 3S -0.78554 -0.39788 -0.19340 0.51081 -0.27592 166 3PX 0.09435 -0.18570 -0.13889 0.10522 -0.02426 167 3PY 0.29190 0.22045 0.11368 -0.21852 0.15038 168 3PZ 0.03308 -0.07106 -0.08067 0.13580 -0.08475 169 4XX 0.04062 0.11737 0.07683 -0.05968 0.04824 170 4YY -0.06712 -0.13531 -0.09229 0.16090 -0.09946 171 4ZZ 0.11393 0.10237 0.04308 -0.08559 0.04310 172 4XY -0.05757 0.05742 0.08109 -0.10471 0.03425 173 4XZ -0.08962 -0.21057 -0.10421 0.09134 0.02047 174 4YZ 0.01688 0.08578 0.06951 -0.10015 0.04006 175 23 O 1S 0.01854 -0.02776 -0.01417 0.01326 0.00097 176 2S 0.21358 -0.11734 -0.06530 0.19101 0.10074 177 2PX 0.00912 -0.04494 -0.02454 0.00806 -0.01144 178 2PY 0.01351 0.02123 0.01435 -0.01863 0.00595 179 2PZ -0.00168 -0.01136 -0.01156 0.01808 0.00427 180 3S -0.78554 0.39789 0.19340 -0.51082 -0.27591 181 3PX 0.09435 0.18570 0.13889 -0.10522 -0.02426 182 3PY -0.29190 0.22045 0.11368 -0.21852 -0.15037 183 3PZ 0.03307 0.07107 0.08068 -0.13582 -0.08475 184 4XX 0.04062 -0.11737 -0.07683 0.05968 0.04824 185 4YY -0.06712 0.13530 0.09228 -0.16089 -0.09945 186 4ZZ 0.11393 -0.10237 -0.04307 0.08558 0.04310 187 4XY 0.05758 0.05741 0.08108 -0.10471 -0.03425 188 4XZ -0.08962 0.21058 0.10421 -0.09134 0.02047 189 4YZ -0.01689 0.08579 0.06952 -0.10016 -0.04006 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76591 2.80389 2.86686 2.87995 1 1 C 1S -0.07982 -0.00422 -0.01699 -0.00219 -0.01092 2 2S -0.83714 -0.03455 -0.48230 -0.16651 -0.07343 3 2PX -0.12906 -0.01675 -0.04249 0.00101 -0.02465 4 2PY 0.01612 0.00266 -0.08053 -0.02810 0.00837 5 2PZ 0.01716 -0.01863 -0.09845 0.04598 -0.02222 6 3S 4.27732 0.16144 1.05779 0.35945 0.44511 7 3PX -0.17234 -0.02298 -0.05192 0.08361 -0.04700 8 3PY 1.92017 0.03064 0.68722 0.18303 0.15630 9 3PZ 0.39716 -0.11330 -0.18544 0.05305 -0.17439 10 4XX -0.23990 0.02705 0.18558 -0.01997 0.03293 11 4YY 0.16949 0.01128 0.00204 0.02502 0.00308 12 4ZZ 0.29016 -0.03069 -0.05341 0.06298 -0.02618 13 4XY -0.19868 -0.03008 0.03041 0.01937 -0.04585 14 4XZ 0.28939 0.00063 -0.04615 0.01701 0.03653 15 4YZ 0.07347 -0.02828 -0.12958 0.04421 -0.04026 16 2 H 1S -0.11624 -0.02564 0.04147 -0.01883 -0.02168 17 2S 0.44606 0.01667 0.11991 0.05357 0.03661 18 3 C 1S 0.03643 0.00323 0.00784 0.00508 0.00694 19 2S 0.29405 0.05992 0.04152 -0.01532 0.13545 20 2PX -0.12048 -0.00291 -0.03305 -0.00524 -0.01192 21 2PY 0.19057 0.00780 0.00860 -0.03250 0.04018 22 2PZ -0.08425 -0.01760 -0.01752 0.00477 -0.02913 23 3S -3.14519 -0.20794 -1.03514 -0.26962 -0.42643 24 3PX -1.22974 -0.08265 -0.40700 -0.03830 -0.19539 25 3PY -0.53631 0.05178 -0.22283 -0.14427 0.04299 26 3PZ -1.31400 -0.02255 -0.38903 -0.03343 -0.09447 27 4XX -0.22845 -0.02246 0.00535 0.01803 -0.04928 28 4YY 0.29252 0.00204 -0.00565 -0.04838 -0.01558 29 4ZZ -0.05816 -0.00929 -0.01547 0.05294 0.00266 30 4XY 0.06446 0.00881 -0.03096 -0.01533 0.02449 31 4XZ -0.34518 -0.03737 -0.02878 0.03095 -0.06111 32 4YZ -0.20040 0.00519 0.01934 -0.04911 0.01941 33 4 H 1S 0.12366 0.02203 -0.01169 0.00244 0.02007 34 2S -0.42541 -0.00039 -0.13486 -0.01617 -0.02757 35 5 C 1S -0.03643 0.00323 -0.00784 -0.00508 0.00694 36 2S -0.29405 0.05992 -0.04152 0.01532 0.13545 37 2PX 0.12048 -0.00291 0.03305 0.00524 -0.01192 38 2PY 0.19057 -0.00780 0.00860 -0.03250 -0.04018 39 2PZ 0.08425 -0.01760 0.01752 -0.00477 -0.02913 40 3S 3.14519 -0.20795 1.03514 0.26962 -0.42643 41 3PX 1.22974 -0.08265 0.40700 0.03830 -0.19539 42 3PY -0.53636 -0.05178 -0.22284 -0.14427 -0.04298 43 3PZ 1.31398 -0.02255 0.38902 0.03342 -0.09447 44 4XX 0.22845 -0.02246 -0.00535 -0.01803 -0.04928 45 4YY -0.29251 0.00204 0.00565 0.04838 -0.01558 46 4ZZ 0.05815 -0.00929 0.01547 -0.05294 0.00266 47 4XY 0.06444 -0.00881 -0.03096 -0.01532 -0.02448 48 4XZ 0.34518 -0.03737 0.02878 -0.03095 -0.06111 49 4YZ -0.20041 -0.00519 0.01934 -0.04911 -0.01941 50 6 H 1S -0.12366 0.02203 0.01169 -0.00244 0.02007 51 2S 0.42541 -0.00039 0.13486 0.01617 -0.02757 52 7 C 1S 0.07982 -0.00422 0.01699 0.00219 -0.01092 53 2S 0.83714 -0.03455 0.48230 0.16651 -0.07343 54 2PX 0.12906 -0.01675 0.04249 -0.00101 -0.02465 55 2PY 0.01612 -0.00266 -0.08053 -0.02810 -0.00837 56 2PZ -0.01716 -0.01863 0.09844 -0.04598 -0.02222 57 3S -4.27732 0.16145 -1.05780 -0.35945 0.44511 58 3PX 0.17234 -0.02298 0.05192 -0.08361 -0.04700 59 3PY 1.92019 -0.03064 0.68721 0.18304 -0.15629 60 3PZ -0.39709 -0.11330 0.18546 -0.05304 -0.17439 61 4XX 0.23990 0.02705 -0.18558 0.01997 0.03293 62 4YY -0.16950 0.01128 -0.00204 -0.02502 0.00308 63 4ZZ -0.29016 -0.03068 0.05340 -0.06297 -0.02618 64 4XY -0.19867 0.03008 0.03041 0.01938 0.04585 65 4XZ -0.28940 0.00064 0.04615 -0.01701 0.03653 66 4YZ 0.07348 0.02828 -0.12959 0.04422 0.04026 67 8 H 1S 0.11624 -0.02564 -0.04147 0.01883 -0.02168 68 2S -0.44606 0.01667 -0.11991 -0.05357 0.03661 69 9 C 1S 0.03530 -0.00445 -0.01176 0.00772 -0.00607 70 2S 0.21545 -0.04665 -0.27635 0.03907 0.02170 71 2PX 0.06099 -0.00918 -0.05048 0.01276 0.01709 72 2PY 0.12105 -0.01044 -0.04003 0.01734 0.00856 73 2PZ 0.20588 -0.00095 0.06668 0.02579 -0.00322 74 3S -2.28326 0.12448 0.19920 -0.33578 0.04002 75 3PX 0.34303 0.03078 0.49663 -0.02454 -0.05188 76 3PY 0.21074 -0.01824 -0.04623 -0.02018 -0.04529 77 3PZ 0.97269 -0.04578 -0.40374 0.15963 0.01750 78 4XX 0.01235 -0.00316 0.06135 0.01237 -0.01492 79 4YY 0.35546 -0.00825 -0.13328 0.04037 -0.02523 80 4ZZ -0.36192 0.01977 0.14065 -0.04831 0.00309 81 4XY -0.04692 0.00771 0.04526 -0.00379 0.02317 82 4XZ -0.17542 -0.00247 0.08612 -0.02021 -0.01351 83 4YZ -0.15773 0.01570 0.03241 -0.01508 0.01006 84 10 H 1S 0.08220 -0.00730 0.06372 0.00166 -0.02116 85 2S 0.07225 0.01782 0.22400 -0.01484 -0.02809 86 11 H 1S 0.09126 0.00556 -0.11181 0.02476 0.02014 87 2S 0.08267 -0.05642 -0.10171 0.00537 0.00225 88 12 C 1S -0.03530 -0.00445 0.01176 -0.00772 -0.00607 89 2S -0.21545 -0.04664 0.27635 -0.03907 0.02170 90 2PX -0.06099 -0.00918 0.05048 -0.01276 0.01709 91 2PY 0.12106 0.01044 -0.04003 0.01734 -0.00856 92 2PZ -0.20588 -0.00095 -0.06668 -0.02579 -0.00322 93 3S 2.28326 0.12448 -0.19920 0.33578 0.04002 94 3PX -0.34303 0.03078 -0.49663 0.02454 -0.05188 95 3PY 0.21077 0.01824 -0.04624 -0.02018 0.04529 96 3PZ -0.97268 -0.04577 0.40374 -0.15963 0.01751 97 4XX -0.01235 -0.00316 -0.06135 -0.01237 -0.01492 98 4YY -0.35545 -0.00825 0.13328 -0.04037 -0.02523 99 4ZZ 0.36191 0.01977 -0.14064 0.04830 0.00308 100 4XY -0.04693 -0.00771 0.04526 -0.00379 -0.02317 101 4XZ 0.17541 -0.00247 -0.08612 0.02021 -0.01352 102 4YZ -0.15776 -0.01570 0.03242 -0.01508 -0.01006 103 13 H 1S -0.08220 -0.00730 -0.06372 -0.00166 -0.02116 104 2S -0.07225 0.01782 -0.22400 0.01484 -0.02809 105 14 H 1S -0.09126 0.00556 0.11181 -0.02476 0.02014 106 2S -0.08267 -0.05642 0.10171 -0.00537 0.00225 107 15 C 1S 0.00000 0.02773 0.00000 0.00000 -0.07867 108 2S 0.00000 -0.01875 0.00000 0.00000 0.25243 109 2PX 0.00000 0.05927 0.00000 0.00000 -0.29563 110 2PY 0.39083 0.00000 0.51832 -0.34019 0.00001 111 2PZ 0.00001 0.07564 0.00001 -0.00001 -0.32734 112 3S 0.00000 -0.75691 0.00000 0.00000 2.15263 113 3PX 0.00000 0.00933 0.00000 0.00000 -0.37834 114 3PY 0.38419 0.00000 0.28912 -0.32208 0.00001 115 3PZ 0.00001 -0.03199 0.00001 -0.00001 -0.35552 116 4XX 0.00000 0.39411 0.00000 0.00000 -0.35335 117 4YY 0.00001 -0.74233 0.00001 -0.00001 0.56668 118 4ZZ -0.00001 0.40250 -0.00001 0.00001 -0.24784 119 4XY -0.35231 0.00000 -0.39846 0.12337 0.00000 120 4XZ -0.00001 0.14356 -0.00001 0.00000 0.16513 121 4YZ -0.31674 -0.00003 -0.32483 0.27979 0.00002 122 16 C 1S 0.02040 0.02612 0.10187 -0.01586 0.02803 123 2S 0.15112 -0.09141 0.64202 0.06178 -0.18665 124 2PX -0.04673 -0.25701 -0.27625 -0.09545 -0.32201 125 2PY 0.13905 0.17846 -0.23353 0.28264 0.08269 126 2PZ -0.05913 -0.16148 -0.03075 -0.07271 -0.22878 127 3S -1.07822 -0.60958 -5.68234 0.43015 -0.97023 128 3PX -0.11835 -0.18940 -0.75612 -0.02191 -0.37014 129 3PY -0.02872 0.16184 -2.30580 0.29543 0.32763 130 3PZ -0.50478 -0.19709 -1.89537 -0.01340 -0.33071 131 4XX -0.21064 -0.03748 0.18625 -0.23078 -0.22109 132 4YY 0.32780 -0.04498 -0.47818 0.55699 0.21560 133 4ZZ -0.03549 0.09116 0.11935 -0.30816 -0.07964 134 4XY 0.04320 0.25628 0.00803 -0.44737 0.13246 135 4XZ -0.00895 -0.18772 -0.42152 -0.10651 -0.37876 136 4YZ 0.05477 0.18864 -0.38951 -0.50473 0.10498 137 17 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 138 2S -0.15113 -0.09141 -0.64202 -0.06178 -0.18665 139 2PX 0.04673 -0.25701 0.27625 0.09545 -0.32201 140 2PY 0.13905 -0.17845 -0.23353 0.28263 -0.08268 141 2PZ 0.05914 -0.16148 0.03074 0.07272 -0.22879 142 3S 1.07822 -0.60958 5.68235 -0.43015 -0.97023 143 3PX 0.11835 -0.18940 0.75612 0.02191 -0.37014 144 3PY -0.02874 -0.16184 -2.30588 0.29543 -0.32762 145 3PZ 0.50478 -0.19710 1.89528 0.01341 -0.33072 146 4XX 0.21064 -0.03749 -0.18625 0.23078 -0.22109 147 4YY -0.32780 -0.04497 0.47821 -0.55696 0.21561 148 4ZZ 0.03549 0.09115 -0.11938 0.30813 -0.07965 149 4XY 0.04320 -0.25628 0.00801 -0.44737 -0.13245 150 4XZ 0.00895 -0.18773 0.42152 0.10650 -0.37877 151 4YZ 0.05475 -0.18865 -0.38948 -0.50476 -0.10497 152 18 H 1S 0.00000 -0.07778 0.00000 0.00000 0.00249 153 2S 0.00000 0.16849 0.00000 0.00000 -0.15177 154 19 H 1S -0.04898 -0.02768 0.25011 0.27606 0.05036 155 2S 0.04068 0.05111 -0.71653 -0.10445 0.01789 156 20 H 1S 0.04898 -0.02768 -0.25011 -0.27606 0.05036 157 2S -0.04068 0.05111 0.71653 0.10445 0.01789 158 21 H 1S 0.00000 -0.09324 0.00000 0.00000 -0.05902 159 2S 0.00000 0.22036 0.00000 0.00000 -0.15263 160 22 O 1S 0.02198 -0.04852 0.03128 -0.03037 0.00136 161 2S 0.42700 -0.32930 0.85420 -0.04168 0.00695 162 2PX -0.00656 0.00128 -0.05071 -0.02991 0.04383 163 2PY 0.00616 -0.07698 -0.04191 -0.02985 -0.05007 164 2PZ 0.01053 0.00313 -0.01563 -0.02245 0.03257 165 3S -1.35543 1.35343 -2.86363 0.44194 -0.02054 166 3PX 0.11318 -0.25808 0.65495 0.18013 -1.07641 167 3PY 0.45650 -0.17199 0.96878 -0.06258 0.44104 168 3PZ -0.05632 -0.12544 0.17159 0.15485 -0.86907 169 4XX 0.07411 0.23273 -0.02379 0.04084 0.31490 170 4YY -0.17109 -0.51153 -0.23120 -0.15080 -0.30412 171 4ZZ 0.09891 0.06926 0.25482 -0.07248 0.05388 172 4XY 0.11083 -0.11500 -0.06525 -0.43298 0.64992 173 4XZ -0.16071 0.60832 -0.24013 0.17637 0.18672 174 4YZ 0.13755 -0.14052 0.13004 -0.28900 0.54311 175 23 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00136 176 2S -0.42700 -0.32929 -0.85420 0.04168 0.00695 177 2PX 0.00656 0.00128 0.05071 0.02991 0.04383 178 2PY 0.00616 0.07698 -0.04191 -0.02985 0.05007 179 2PZ -0.01053 0.00313 0.01563 0.02245 0.03257 180 3S 1.35543 1.35342 2.86363 -0.44194 -0.02054 181 3PX -0.11318 -0.25808 -0.65495 -0.18013 -1.07641 182 3PY 0.45650 0.17199 0.96878 -0.06257 -0.44101 183 3PZ 0.05633 -0.12543 -0.17155 -0.15485 -0.86908 184 4XX -0.07411 0.23273 0.02379 -0.04084 0.31490 185 4YY 0.17108 -0.51154 0.23119 0.15082 -0.30408 186 4ZZ -0.09890 0.06927 -0.25481 0.07246 0.05385 187 4XY 0.11082 0.11497 -0.06526 -0.43298 -0.64993 188 4XZ 0.16072 0.60832 0.24013 -0.17639 0.18670 189 4YZ 0.13756 0.14049 0.13006 -0.28900 -0.54313 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10576 3.13119 4.00621 4.10575 1 1 C 1S -0.00270 -0.00737 0.05161 0.01872 -0.02612 2 2S 0.22325 -0.37733 0.09988 -0.25465 0.58059 3 2PX -0.21132 -0.01241 0.17929 -0.02142 0.05977 4 2PY 0.14419 -0.05423 -0.05560 -0.00595 0.00030 5 2PZ -0.24009 -0.02624 0.11043 -0.02751 0.03781 6 3S 0.36158 0.85281 -1.91451 0.29236 -1.23092 7 3PX -0.85912 0.08788 0.11731 -0.05157 -0.09006 8 3PY -0.03526 0.47502 -0.86064 0.18169 -0.81109 9 3PZ -1.12976 0.03590 -0.21912 -0.07148 -0.20539 10 4XX 0.15723 0.07174 -0.09819 0.13838 -0.26065 11 4YY 0.04305 0.11036 0.46048 0.10323 -0.20085 12 4ZZ -0.17128 -0.02601 -0.34372 0.09647 -0.23213 13 4XY -0.39088 0.01013 -0.01685 -0.03131 0.01395 14 4XZ 0.17250 -0.07727 -0.44751 0.01483 -0.08639 15 4YZ -0.46129 0.01154 0.00066 -0.04410 -0.00809 16 2 H 1S -0.03106 -0.04413 -0.20524 -0.01768 0.00165 17 2S -0.00283 0.14005 -0.04752 0.08714 -0.23778 18 3 C 1S 0.00099 0.00437 -0.05714 -0.03379 0.00891 19 2S -0.02736 0.22677 0.08210 0.31080 -0.39547 20 2PX -0.17679 0.01768 0.08613 -0.02376 0.02796 21 2PY 0.40580 -0.01752 0.07880 0.03270 0.02158 22 2PZ -0.16367 -0.00507 0.04918 -0.03625 0.03557 23 3S 0.11097 -1.02811 2.10578 -0.18962 1.45243 24 3PX -0.68054 -0.37075 0.61972 -0.12022 0.55495 25 3PY 1.46895 -0.34325 0.58816 0.03481 0.60838 26 3PZ -0.46011 -0.21246 0.71482 -0.05092 0.45539 27 4XX -0.35291 -0.04134 -0.14037 -0.18801 0.14995 28 4YY 0.64466 -0.00445 0.38788 -0.14225 0.22117 29 4ZZ -0.26145 -0.05607 -0.35629 -0.15354 0.10011 30 4XY 0.27744 -0.13525 -0.55065 0.01525 -0.01980 31 4XZ -0.38721 -0.03621 0.02799 -0.03909 0.07220 32 4YZ 0.31026 -0.08207 -0.45046 0.01224 -0.04286 33 4 H 1S 0.00031 0.07450 0.29571 0.03219 0.00484 34 2S 0.02803 -0.12661 0.07924 -0.03813 0.21909 35 5 C 1S -0.00099 -0.00437 0.05714 -0.03379 -0.00891 36 2S 0.02736 -0.22677 -0.08210 0.31080 0.39548 37 2PX 0.17679 -0.01768 -0.08613 -0.02376 -0.02796 38 2PY 0.40580 -0.01752 0.07880 -0.03270 0.02158 39 2PZ 0.16369 0.00507 -0.04917 -0.03625 -0.03557 40 3S -0.11097 1.02812 -2.10578 -0.18962 -1.45243 41 3PX 0.68054 0.37075 -0.61971 -0.12022 -0.55495 42 3PY 1.46893 -0.34326 0.58818 -0.03481 0.60840 43 3PZ 0.46016 0.21245 -0.71479 -0.05092 -0.45537 44 4XX 0.35291 0.04134 0.14037 -0.18801 -0.14995 45 4YY -0.64468 0.00445 -0.38785 -0.14225 -0.22117 46 4ZZ 0.26147 0.05607 0.35626 -0.15354 -0.10012 47 4XY 0.27742 -0.13525 -0.55065 -0.01525 -0.01980 48 4XZ 0.38722 0.03621 -0.02801 -0.03909 -0.07220 49 4YZ 0.31022 -0.08208 -0.45049 -0.01224 -0.04286 50 6 H 1S -0.00031 -0.07450 -0.29571 0.03219 -0.00483 51 2S -0.02803 0.12661 -0.07924 -0.03813 -0.21909 52 7 C 1S 0.00270 0.00737 -0.05161 0.01872 0.02612 53 2S -0.22325 0.37733 -0.09988 -0.25465 -0.58058 54 2PX 0.21132 0.01241 -0.17929 -0.02142 -0.05977 55 2PY 0.14418 -0.05423 -0.05559 0.00596 0.00030 56 2PZ 0.24010 0.02624 -0.11044 -0.02751 -0.03781 57 3S -0.36158 -0.85281 1.91450 0.29237 1.23093 58 3PX 0.85912 -0.08788 -0.11731 -0.05157 0.09006 59 3PY -0.03530 0.47502 -0.86065 -0.18169 -0.81110 60 3PZ 1.12976 -0.03589 0.21908 -0.07149 0.20536 61 4XX -0.15723 -0.07174 0.09819 0.13838 0.26064 62 4YY -0.04301 -0.11036 -0.46048 0.10323 0.20085 63 4ZZ 0.17125 0.02601 0.34372 0.09647 0.23213 64 4XY -0.39087 0.01012 -0.01687 0.03131 0.01394 65 4XZ -0.17252 0.07727 0.44751 0.01483 0.08639 66 4YZ -0.46130 0.01154 0.00062 0.04410 -0.00809 67 8 H 1S 0.03106 0.04413 0.20524 -0.01768 -0.00165 68 2S 0.00283 -0.14005 0.04752 0.08714 0.23778 69 9 C 1S -0.00107 -0.00688 -0.03691 0.06653 -0.01617 70 2S 0.06637 -0.19564 0.02986 -0.46104 -0.06831 71 2PX -0.03444 -0.02766 -0.02570 -0.01905 -0.03804 72 2PY -0.12629 0.00899 -0.05810 -0.02753 -0.01920 73 2PZ -0.12791 0.05878 -0.14380 0.00922 -0.03087 74 3S 0.24494 0.11434 1.19792 -0.20582 0.86971 75 3PX -0.09387 0.34143 -0.16162 0.12599 -0.03453 76 3PY -0.72617 0.15679 0.02067 0.03486 0.17300 77 3PZ -0.55367 -0.09801 -0.32377 0.00222 -0.47717 78 4XX 0.01177 0.01198 -0.20102 0.28889 -0.05227 79 4YY -0.36524 0.06424 -0.00091 0.24091 -0.00121 80 4ZZ 0.34535 0.00598 0.07852 0.24874 0.04221 81 4XY 0.04030 0.02391 0.06245 0.00048 -0.00707 82 4XZ 0.11567 0.00297 -0.01334 -0.02081 0.06515 83 4YZ 0.10578 0.03770 0.31211 -0.00150 0.01852 84 10 H 1S -0.00178 0.03760 -0.01599 -0.02332 0.01833 85 2S -0.00279 0.13850 -0.07819 0.11747 0.06012 86 11 H 1S -0.01114 -0.03982 0.04580 -0.01862 -0.10073 87 2S 0.00858 -0.10169 -0.09748 -0.03428 0.14548 88 12 C 1S 0.00107 0.00688 0.03691 0.06653 0.01617 89 2S -0.06637 0.19564 -0.02986 -0.46104 0.06832 90 2PX 0.03444 0.02766 0.02570 -0.01905 0.03804 91 2PY -0.12630 0.00899 -0.05811 0.02753 -0.01920 92 2PZ 0.12790 -0.05878 0.14380 0.00922 0.03087 93 3S -0.24494 -0.11434 -1.19792 -0.20582 -0.86970 94 3PX 0.09386 -0.34143 0.16162 0.12599 0.03453 95 3PY -0.72619 0.15679 0.02066 -0.03486 0.17298 96 3PZ 0.55364 0.09801 0.32377 0.00222 0.47718 97 4XX -0.01177 -0.01198 0.20102 0.28889 0.05226 98 4YY 0.36523 -0.06425 0.00089 0.24091 0.00120 99 4ZZ -0.34534 -0.00598 -0.07850 0.24874 -0.04221 100 4XY 0.04030 0.02391 0.06245 -0.00048 -0.00707 101 4XZ -0.11567 -0.00297 0.01334 -0.02081 -0.06515 102 4YZ 0.10581 0.03770 0.31212 0.00150 0.01852 103 13 H 1S 0.00178 -0.03760 0.01599 -0.02332 -0.01833 104 2S 0.00279 -0.13850 0.07819 0.11747 -0.06012 105 14 H 1S 0.01114 0.03982 -0.04580 -0.01862 0.10073 106 2S -0.00858 0.10169 0.09748 -0.03428 -0.14548 107 15 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00000 108 2S 0.00000 0.00000 0.00000 0.95151 0.00000 109 2PX 0.00000 0.00000 0.00000 0.13752 0.00000 110 2PY -0.14721 -0.36052 0.02385 0.00000 -0.06093 111 2PZ 0.00000 -0.00001 0.00000 0.11879 0.00000 112 3S 0.00000 0.00000 0.00000 -2.06033 0.00000 113 3PX 0.00000 0.00000 0.00000 0.55600 0.00000 114 3PY -0.11067 -0.80259 0.11803 -0.00001 -0.41056 115 3PZ 0.00000 -0.00002 0.00000 0.60170 -0.00001 116 4XX 0.00000 0.00000 0.00000 -0.55713 0.00000 117 4YY 0.00000 -0.00001 0.00000 -0.37552 0.00000 118 4ZZ 0.00000 0.00001 0.00000 -0.55297 0.00000 119 4XY 0.09550 0.36565 -0.03343 0.00000 -0.04177 120 4XZ 0.00000 0.00001 0.00000 -0.05093 0.00000 121 4YZ 0.09449 0.34659 -0.03846 0.00000 -0.11136 122 16 C 1S -0.01522 0.05496 -0.02321 -0.01587 0.08292 123 2S -0.20092 0.14353 -0.05594 0.24707 -0.77033 124 2PX 0.01440 -0.40497 0.06174 -0.05284 0.15496 125 2PY 0.06655 0.23588 -0.03992 0.04193 0.10383 126 2PZ -0.03111 -0.19924 0.03805 -0.00441 0.06218 127 3S 1.13267 -2.85753 1.07598 -0.87278 2.53947 128 3PX 0.19106 -1.00646 0.26718 -0.33959 1.11914 129 3PY 0.48972 -0.28834 0.34376 0.07259 0.49201 130 3PZ 0.48588 -1.49291 0.47214 -0.33695 1.34337 131 4XX -0.03892 -0.30789 0.04763 -0.04392 0.40575 132 4YY 0.12586 0.24506 -0.03998 -0.07699 0.50488 133 4ZZ -0.00489 0.00966 -0.03495 -0.05314 0.37536 134 4XY -0.02562 0.44146 -0.06488 -0.08594 0.01245 135 4XZ 0.03147 -0.47077 0.07863 -0.05437 0.12129 136 4YZ -0.01450 0.33451 -0.07141 -0.06455 0.03971 137 17 C 1S 0.01522 -0.05496 0.02321 -0.01587 -0.08292 138 2S 0.20092 -0.14353 0.05594 0.24707 0.77034 139 2PX -0.01440 0.40497 -0.06174 -0.05284 -0.15496 140 2PY 0.06654 0.23587 -0.03991 -0.04193 0.10383 141 2PZ 0.03111 0.19925 -0.03805 -0.00441 -0.06217 142 3S -1.13267 2.85753 -1.07598 -0.87278 -2.53947 143 3PX -0.19106 1.00646 -0.26718 -0.33959 -1.11914 144 3PY 0.48974 -0.28840 0.34378 -0.07258 0.49206 145 3PZ -0.48586 1.49290 -0.47213 -0.33695 -1.34335 146 4XX 0.03892 0.30789 -0.04763 -0.04392 -0.40576 147 4YY -0.12586 -0.24508 0.03998 -0.07699 -0.50488 148 4ZZ 0.00489 -0.00964 0.03494 -0.05314 -0.37536 149 4XY -0.02562 0.44144 -0.06487 0.08594 0.01245 150 4XZ -0.03147 0.47079 -0.07863 -0.05437 -0.12129 151 4YZ -0.01451 0.33450 -0.07141 0.06454 0.03970 152 18 H 1S 0.00000 0.00000 0.00000 0.22760 0.00000 153 2S 0.00000 0.00000 0.00000 0.00610 0.00000 154 19 H 1S 0.01791 -0.14805 0.05656 0.08758 -0.07018 155 2S 0.14515 -0.20832 0.09786 -0.04062 0.40000 156 20 H 1S -0.01791 0.14805 -0.05656 0.08758 0.07018 157 2S -0.14515 0.20832 -0.09786 -0.04062 -0.40000 158 21 H 1S 0.00000 0.00000 0.00000 0.22973 0.00000 159 2S 0.00000 0.00000 0.00000 -0.03671 0.00000 160 22 O 1S -0.00778 -0.00147 0.00816 -0.38220 -0.40004 161 2S -0.14687 0.41006 -0.13659 -0.38931 -0.57620 162 2PX -0.00761 0.00747 0.00147 0.05583 0.07600 163 2PY 0.00948 0.02955 -0.00258 0.13500 0.17065 164 2PZ -0.00771 0.00940 -0.00616 0.02057 0.00398 165 3S 0.59133 -1.45537 0.40937 4.65326 5.24249 166 3PX -0.06261 1.36953 -0.28267 -0.18049 -0.81934 167 3PY -0.20475 -0.03402 -0.06796 -0.95524 -0.82542 168 3PZ 0.02829 0.98150 -0.16645 -0.01583 -0.39206 169 4XX 0.00149 -0.50056 0.12340 -1.23307 -1.20347 170 4YY 0.04090 0.38771 -0.02776 -1.13384 -1.25948 171 4ZZ -0.04664 -0.13363 0.04520 -1.29787 -1.35577 172 4XY -0.04402 -0.42484 0.07217 -0.03974 0.14550 173 4XZ 0.02099 -0.40044 0.06589 0.08293 0.23280 174 4YZ -0.07276 -0.38082 0.05782 -0.08590 0.07046 175 23 O 1S 0.00778 0.00147 -0.00816 -0.38220 0.40004 176 2S 0.14687 -0.41006 0.13659 -0.38931 0.57620 177 2PX 0.00761 -0.00747 -0.00147 0.05583 -0.07600 178 2PY 0.00948 0.02955 -0.00258 -0.13500 0.17065 179 2PZ 0.00771 -0.00940 0.00616 0.02056 -0.00398 180 3S -0.59133 1.45537 -0.40937 4.65327 -5.24249 181 3PX 0.06261 -1.36953 0.28267 -0.18049 0.81934 182 3PY -0.20474 -0.03398 -0.06796 0.95524 -0.82543 183 3PZ -0.02830 -0.98150 0.16644 -0.01580 0.39202 184 4XX -0.00149 0.50056 -0.12340 -1.23307 1.20347 185 4YY -0.04090 -0.38768 0.02776 -1.13385 1.25948 186 4ZZ 0.04664 0.13360 -0.04519 -1.29786 1.35578 187 4XY -0.04402 -0.42485 0.07217 0.03974 0.14551 188 4XZ -0.02099 0.40042 -0.06588 0.08293 -0.23279 189 4YZ -0.07276 -0.38084 0.05783 0.08591 0.07046 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25203 4.26809 4.36206 4.37018 1 1 C 1S -0.10991 -0.06750 -0.02797 -0.12708 -0.19384 2 2S 0.69615 0.34296 0.06221 0.55857 0.67731 3 2PX -0.05141 0.09098 -0.03158 -0.00725 -0.09422 4 2PY 0.04693 -0.05455 0.00658 -0.02418 -0.04397 5 2PZ -0.00560 0.10238 -0.00155 0.01737 -0.02712 6 3S 0.23768 0.50315 0.05702 0.67992 1.49643 7 3PX -0.03896 -0.16176 0.10917 0.07503 -0.08011 8 3PY 0.00497 0.15511 0.10792 0.10220 0.70494 9 3PZ -0.03951 -0.19920 0.06667 -0.13905 0.01787 10 4XX -0.38371 -0.31950 -0.04963 -0.40209 -0.61316 11 4YY -0.43502 -0.27953 -0.10324 -0.49493 -0.60516 12 4ZZ -0.33223 -0.22098 -0.01354 -0.40651 -0.54939 13 4XY -0.03497 0.07466 0.01678 0.03141 -0.05352 14 4XZ 0.07329 -0.04742 0.02947 -0.03617 0.13772 15 4YZ 0.00685 0.09565 0.01761 0.00654 -0.01179 16 2 H 1S 0.06190 0.03235 0.03186 0.04767 0.07622 17 2S -0.09576 -0.01853 0.01563 -0.11207 0.06930 18 3 C 1S -0.19907 0.26089 -0.08460 -0.04540 -0.23407 19 2S 1.36018 -1.42302 0.52574 0.30995 1.44017 20 2PX -0.01081 0.10547 -0.01642 0.01671 -0.05131 21 2PY 0.05856 -0.05466 0.03044 -0.00792 -0.17044 22 2PZ 0.00893 0.06996 0.00807 0.04122 -0.01012 23 3S 0.35632 -1.12985 0.30805 -0.08070 0.43243 24 3PX -0.04304 -0.24740 0.00224 -0.07930 -0.22249 25 3PY -0.02079 0.03255 -0.08952 0.01355 0.12380 26 3PZ -0.07002 -0.16174 -0.04672 -0.08661 -0.35812 27 4XX -0.78721 1.01434 -0.31981 -0.15061 -0.89775 28 4YY -0.73405 0.88722 -0.30691 -0.16343 -1.13782 29 4ZZ -0.78827 1.02344 -0.33941 -0.17310 -0.89949 30 4XY 0.00316 -0.02561 0.00046 -0.02792 0.02962 31 4XZ -0.01737 0.02811 -0.01100 0.00843 -0.00806 32 4YZ -0.00185 -0.03114 -0.00867 -0.04187 -0.00221 33 4 H 1S 0.08719 -0.09944 0.02932 0.04029 0.06156 34 2S -0.18577 0.14601 -0.12020 -0.09049 -0.28247 35 5 C 1S -0.19907 0.26089 -0.08460 -0.04540 0.23407 36 2S 1.36017 -1.42302 0.52573 0.30995 -1.44017 37 2PX -0.01080 0.10547 -0.01642 0.01671 0.05131 38 2PY -0.05856 0.05466 -0.03044 0.00792 -0.17044 39 2PZ 0.00893 0.06996 0.00807 0.04122 0.01012 40 3S 0.35633 -1.12985 0.30805 -0.08070 -0.43243 41 3PX -0.04304 -0.24740 0.00224 -0.07930 0.22249 42 3PY 0.02079 -0.03254 0.08952 -0.01354 0.12378 43 3PZ -0.07002 -0.16174 -0.04672 -0.08661 0.35812 44 4XX -0.78721 1.01434 -0.31981 -0.15061 0.89776 45 4YY -0.73405 0.88721 -0.30691 -0.16343 1.13782 46 4ZZ -0.78827 1.02344 -0.33941 -0.17310 0.89949 47 4XY -0.00316 0.02561 -0.00046 0.02792 0.02962 48 4XZ -0.01737 0.02811 -0.01100 0.00843 0.00806 49 4YZ 0.00185 0.03113 0.00868 0.04187 -0.00220 50 6 H 1S 0.08719 -0.09944 0.02932 0.04029 -0.06156 51 2S -0.18576 0.14601 -0.12020 -0.09048 0.28247 52 7 C 1S -0.10991 -0.06750 -0.02797 -0.12708 0.19384 53 2S 0.69616 0.34296 0.06221 0.55856 -0.67731 54 2PX -0.05141 0.09098 -0.03158 -0.00725 0.09422 55 2PY -0.04692 0.05454 -0.00658 0.02418 -0.04397 56 2PZ -0.00560 0.10239 -0.00155 0.01738 0.02712 57 3S 0.23767 0.50315 0.05702 0.67992 -1.49643 58 3PX -0.03896 -0.16176 0.10917 0.07503 0.08011 59 3PY -0.00496 -0.15511 -0.10792 -0.10219 0.70494 60 3PZ -0.03951 -0.19921 0.06666 -0.13906 -0.01785 61 4XX -0.38371 -0.31950 -0.04963 -0.40209 0.61316 62 4YY -0.43502 -0.27953 -0.10324 -0.49492 0.60516 63 4ZZ -0.33223 -0.22099 -0.01354 -0.40651 0.54939 64 4XY 0.03497 -0.07466 -0.01679 -0.03141 -0.05351 65 4XZ 0.07329 -0.04742 0.02947 -0.03617 -0.13773 66 4YZ -0.00686 -0.09565 -0.01762 -0.00654 -0.01178 67 8 H 1S 0.06190 0.03235 0.03186 0.04767 -0.07622 68 2S -0.09576 -0.01853 0.01563 -0.11207 -0.06930 69 9 C 1S -0.14561 -0.21557 -0.11469 -0.13169 -0.11915 70 2S 0.90784 1.08855 0.64713 0.60510 0.82001 71 2PX -0.00340 0.01852 -0.01041 -0.04726 -0.01355 72 2PY 0.02243 0.00013 0.01532 -0.01490 -0.03980 73 2PZ -0.01942 0.03381 0.03516 0.03760 0.02207 74 3S 0.48738 0.94700 0.35305 0.53370 -0.07875 75 3PX 0.01736 -0.02335 0.07101 0.18573 0.21851 76 3PY -0.06770 -0.06734 -0.01879 -0.02670 -0.13383 77 3PZ 0.08593 -0.04604 0.02133 -0.07456 0.30254 78 4XX -0.57847 -0.82329 -0.44143 -0.48417 -0.48339 79 4YY -0.50052 -0.70370 -0.39407 -0.42638 -0.56236 80 4ZZ -0.56882 -0.80156 -0.46359 -0.45552 -0.46909 81 4XY 0.00709 -0.00234 -0.00011 -0.00630 0.01886 82 4XZ 0.00277 0.01461 -0.01213 0.01370 0.02760 83 4YZ 0.01476 0.01446 0.00123 0.04841 0.03770 84 10 H 1S 0.05448 0.05965 0.04197 0.05722 0.08179 85 2S -0.17674 -0.22840 -0.07682 -0.01556 -0.14863 86 11 H 1S 0.06194 0.06902 0.03397 0.02826 0.03716 87 2S -0.18201 -0.21814 -0.14851 -0.26752 -0.21408 88 12 C 1S -0.14562 -0.21557 -0.11469 -0.13169 0.11915 89 2S 0.90784 1.08855 0.64713 0.60510 -0.82001 90 2PX -0.00340 0.01852 -0.01041 -0.04726 0.01355 91 2PY -0.02243 -0.00013 -0.01533 0.01490 -0.03980 92 2PZ -0.01942 0.03381 0.03516 0.03760 -0.02207 93 3S 0.48739 0.94700 0.35305 0.53370 0.07874 94 3PX 0.01736 -0.02335 0.07101 0.18573 -0.21851 95 3PY 0.06770 0.06734 0.01879 0.02670 -0.13381 96 3PZ 0.08593 -0.04604 0.02133 -0.07456 -0.30254 97 4XX -0.57847 -0.82329 -0.44143 -0.48416 0.48339 98 4YY -0.50052 -0.70370 -0.39407 -0.42638 0.56236 99 4ZZ -0.56882 -0.80156 -0.46359 -0.45553 0.46909 100 4XY -0.00709 0.00234 0.00011 0.00630 0.01886 101 4XZ 0.00277 0.01461 -0.01213 0.01370 -0.02760 102 4YZ -0.01476 -0.01445 -0.00122 -0.04841 0.03770 103 13 H 1S 0.05449 0.05965 0.04197 0.05722 -0.08179 104 2S -0.17674 -0.22840 -0.07682 -0.01556 0.14863 105 14 H 1S 0.06194 0.06902 0.03397 0.02826 -0.03716 106 2S -0.18201 -0.21814 -0.14851 -0.26752 0.21408 107 15 C 1S 0.06724 -0.05282 -0.40592 0.21153 0.00000 108 2S -0.25831 0.37115 2.24815 -1.34962 0.00000 109 2PX 0.00837 0.05117 0.11161 -0.04492 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00150 111 2PZ 0.00504 0.06355 0.10704 -0.04134 0.00000 112 3S -0.67835 -0.51184 2.05283 -1.32868 0.00000 113 3PX 0.13193 0.20290 -0.09317 -0.02952 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.14476 115 3PZ 0.09210 0.13861 -0.02571 -0.04791 0.00000 116 4XX 0.21283 -0.22465 -1.53737 0.88464 0.00000 117 4YY 0.23197 -0.21334 -1.73828 0.98687 0.00000 118 4ZZ 0.22388 -0.24401 -1.56213 0.85071 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00710 120 4XZ -0.03895 -0.03610 -0.03269 0.07873 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00642 122 16 C 1S -0.19128 -0.07297 0.14515 0.25574 -0.11795 123 2S 1.23012 0.54256 -0.63422 -1.30939 0.92776 124 2PX -0.05215 -0.01534 0.00532 0.01098 -0.03725 125 2PY 0.06974 0.06631 0.00608 -0.03771 -0.08656 126 2PZ -0.03585 -0.00411 0.04881 0.08642 -0.03192 127 3S 0.46732 -0.12373 -0.41161 -1.23922 0.31616 128 3PX 0.05190 -0.27416 0.01900 0.02013 0.32891 129 3PY -0.03772 -0.04788 -0.18473 0.09215 -0.03822 130 3PZ -0.00226 -0.29389 -0.16508 -0.24565 -0.02353 131 4XX -0.77667 -0.32343 0.50713 0.99708 -0.55962 132 4YY -0.69152 -0.27498 0.44733 0.87275 -0.64060 133 4ZZ -0.76246 -0.32067 0.52729 0.98210 -0.51959 134 4XY 0.01169 0.00350 -0.02672 -0.04985 0.03220 135 4XZ -0.01768 -0.06142 -0.00855 0.06508 -0.00593 136 4YZ -0.00492 0.02030 0.00692 0.00400 -0.00790 137 17 C 1S -0.19128 -0.07297 0.14515 0.25574 0.11795 138 2S 1.23011 0.54256 -0.63422 -1.30939 -0.92775 139 2PX -0.05215 -0.01534 0.00532 0.01098 0.03725 140 2PY -0.06974 -0.06631 -0.00608 0.03771 -0.08656 141 2PZ -0.03586 -0.00412 0.04881 0.08642 0.03191 142 3S 0.46734 -0.12373 -0.41162 -1.23922 -0.31616 143 3PX 0.05191 -0.27416 0.01900 0.02013 -0.32891 144 3PY 0.03772 0.04789 0.18473 -0.09214 -0.03822 145 3PZ -0.00224 -0.29388 -0.16507 -0.24565 0.02353 146 4XX -0.77667 -0.32342 0.50713 0.99708 0.55961 147 4YY -0.69152 -0.27498 0.44733 0.87275 0.64059 148 4ZZ -0.76245 -0.32067 0.52729 0.98210 0.51959 149 4XY -0.01169 -0.00349 0.02672 0.04984 0.03220 150 4XZ -0.01768 -0.06142 -0.00855 0.06509 0.00593 151 4YZ 0.00492 -0.02030 -0.00693 -0.00400 -0.00789 152 18 H 1S 0.00423 0.05875 0.08711 -0.02327 0.00000 153 2S 0.07079 -0.04080 -0.42367 0.27737 0.00000 154 19 H 1S 0.09945 0.01252 -0.08137 -0.07090 0.08960 155 2S -0.18691 -0.17307 0.01697 0.20806 -0.13721 156 20 H 1S 0.09945 0.01252 -0.08137 -0.07090 -0.08960 157 2S -0.18690 -0.17307 0.01697 0.20806 0.13721 158 21 H 1S 0.00038 0.06945 0.08060 -0.02108 0.00000 159 2S 0.13001 0.03731 -0.44945 0.33236 0.00000 160 22 O 1S -0.01897 -0.09694 0.06219 -0.11349 -0.05526 161 2S -0.04201 -0.20537 -0.03585 -0.09094 -0.03459 162 2PX -0.03446 -0.00225 0.04231 0.04605 0.02270 163 2PY 0.00361 0.02741 -0.05074 0.07973 0.03102 164 2PZ -0.03322 -0.00118 0.03427 0.01602 0.02039 165 3S 0.27712 1.47837 -0.67570 1.52542 0.68518 166 3PX -0.02117 -0.14841 0.04669 -0.11363 0.04064 167 3PY -0.10417 -0.36497 -0.07355 -0.10067 -0.06050 168 3PZ 0.01860 -0.05680 0.08287 0.00383 -0.00982 169 4XX -0.00417 -0.26615 0.16931 -0.44034 -0.23251 170 4YY -0.07112 -0.25328 0.41482 -0.46459 -0.18869 171 4ZZ -0.03520 -0.31329 0.17575 -0.43531 -0.19910 172 4XY 0.04943 0.01879 -0.14322 0.02005 -0.03238 173 4XZ 0.06883 0.07569 0.01340 -0.13458 -0.04372 174 4YZ 0.02818 -0.01155 -0.14877 0.02489 -0.02478 175 23 O 1S -0.01897 -0.09694 0.06219 -0.11349 0.05526 176 2S -0.04202 -0.20537 -0.03585 -0.09094 0.03459 177 2PX -0.03446 -0.00225 0.04231 0.04605 -0.02270 178 2PY -0.00361 -0.02741 0.05073 -0.07974 0.03102 179 2PZ -0.03322 -0.00118 0.03427 0.01602 -0.02039 180 3S 0.27716 1.47838 -0.67570 1.52542 -0.68519 181 3PX -0.02117 -0.14841 0.04669 -0.11363 -0.04064 182 3PY 0.10418 0.36497 0.07355 0.10067 -0.06050 183 3PZ 0.01860 -0.05678 0.08288 0.00384 0.00981 184 4XX -0.00418 -0.26615 0.16931 -0.44034 0.23252 185 4YY -0.07112 -0.25328 0.41481 -0.46459 0.18869 186 4ZZ -0.03521 -0.31329 0.17576 -0.43531 0.19910 187 4XY -0.04944 -0.01880 0.14322 -0.02005 -0.03238 188 4XZ 0.06883 0.07569 0.01341 -0.13458 0.04372 189 4YZ -0.02818 0.01156 0.14878 -0.02490 -0.02478 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64965 4.87449 1 1 C 1S -0.31019 -0.01767 -0.06330 0.39729 2 2S 1.68116 0.20886 0.63543 -0.86942 3 2PX 0.01697 0.06182 0.02304 0.03927 4 2PY -0.09743 -0.04326 -0.02359 0.23823 5 2PZ 0.00165 0.06096 0.02871 -0.00258 6 3S 2.08458 0.18117 0.58299 -5.57568 7 3PX 0.10552 -0.23121 -0.07557 -0.02225 8 3PY 0.20668 0.16622 0.01745 -2.17147 9 3PZ 0.09640 -0.15242 0.18172 -0.16678 10 4XX -1.20503 -0.20745 -0.35224 1.24844 11 4YY -1.18910 -0.11228 -0.29725 1.23880 12 4ZZ -1.30357 -0.06085 -0.44323 1.26345 13 4XY 0.03524 0.04980 -0.04074 -0.05451 14 4XZ -0.10807 -0.04976 -0.03871 0.08152 15 4YZ -0.01142 0.09008 -0.02057 -0.02981 16 2 H 1S 0.05467 0.03349 0.00482 -0.08320 17 2S -0.29990 0.04597 -0.07285 -0.13426 18 3 C 1S 0.04280 0.24217 0.03737 -0.11023 19 2S -0.21215 -1.19024 -0.29999 0.33660 20 2PX 0.09757 0.08943 0.01815 -0.05852 21 2PY -0.08020 0.11208 0.02021 0.02657 22 2PZ 0.08308 0.06553 0.01300 -0.07667 23 3S -0.59544 -2.23762 -0.13878 3.99599 24 3PX -0.15488 -0.42202 0.08790 1.25043 25 3PY 0.05353 -0.47943 0.09227 0.81450 26 3PZ -0.11880 -0.33624 0.07153 1.24683 27 4XX 0.21907 0.88231 0.17575 -0.40026 28 4YY 0.18357 1.09651 0.25488 -0.47314 29 4ZZ 0.22464 0.90364 0.16786 -0.40659 30 4XY -0.10511 -0.05596 -0.05226 0.12982 31 4XZ 0.07639 0.02439 0.04122 -0.07580 32 4YZ -0.07636 -0.05263 0.00126 0.11045 33 4 H 1S 0.00537 -0.07286 -0.00564 0.04270 34 2S 0.02407 0.06615 0.11385 0.30473 35 5 C 1S 0.04280 -0.24217 -0.03737 0.11023 36 2S -0.21214 1.19024 0.29999 -0.33660 37 2PX 0.09757 -0.08943 -0.01815 0.05852 38 2PY 0.08019 0.11209 0.02021 0.02656 39 2PZ 0.08308 -0.06553 -0.01300 0.07667 40 3S -0.59543 2.23762 0.13879 -3.99599 41 3PX -0.15488 0.42202 -0.08790 -1.25042 42 3PY -0.05353 -0.47944 0.09227 0.81454 43 3PZ -0.11881 0.33622 -0.07153 -1.24680 44 4XX 0.21907 -0.88231 -0.17575 0.40026 45 4YY 0.18356 -1.09650 -0.25489 0.47313 46 4ZZ 0.22464 -0.90365 -0.16786 0.40660 47 4XY 0.10511 -0.05596 -0.05226 0.12982 48 4XZ 0.07639 -0.02440 -0.04122 0.07581 49 4YZ 0.07636 -0.05263 0.00126 0.11045 50 6 H 1S 0.00537 0.07286 0.00564 -0.04270 51 2S 0.02407 -0.06615 -0.11385 -0.30473 52 7 C 1S -0.31019 0.01767 0.06330 -0.39729 53 2S 1.68116 -0.20886 -0.63544 0.86942 54 2PX 0.01697 -0.06182 -0.02304 -0.03927 55 2PY 0.09743 -0.04326 -0.02358 0.23823 56 2PZ 0.00165 -0.06096 -0.02871 0.00259 57 3S 2.08459 -0.18118 -0.58299 5.57569 58 3PX 0.10552 0.23121 0.07557 0.02225 59 3PY -0.20669 0.16622 0.01746 -2.17148 60 3PZ 0.09639 0.15243 -0.18172 0.16670 61 4XX -1.20503 0.20745 0.35224 -1.24844 62 4YY -1.18910 0.11228 0.29725 -1.23880 63 4ZZ -1.30357 0.06086 0.44323 -1.26345 64 4XY -0.03524 0.04980 -0.04074 -0.05451 65 4XZ -0.10807 0.04977 0.03871 -0.08152 66 4YZ 0.01142 0.09008 -0.02057 -0.02981 67 8 H 1S 0.05467 -0.03349 -0.00482 0.08320 68 2S -0.29990 -0.04597 0.07285 0.13426 69 9 C 1S 0.16798 -0.21053 0.29789 -0.02103 70 2S -0.86757 1.00767 -1.24072 0.07128 71 2PX -0.01012 0.02444 0.02140 0.03682 72 2PY -0.02350 -0.03248 0.02924 0.01344 73 2PZ -0.07698 0.03356 -0.10518 -0.09486 74 3S -1.27575 1.69263 -2.92582 2.19370 75 3PX 0.00799 -0.11098 -0.25116 -0.69995 76 3PY 0.12523 0.16534 -0.45999 0.12989 77 3PZ 0.23330 -0.09183 0.38993 -0.65227 78 4XX 0.64204 -0.75621 1.00221 -0.04238 79 4YY 0.57647 -0.86670 1.18724 -0.08412 80 4ZZ 0.75187 -0.74114 1.07431 -0.10627 81 4XY 0.02899 -0.02893 0.00100 -0.03453 82 4XZ 0.05157 0.00088 0.01517 -0.05015 83 4YZ 0.09800 -0.01053 0.07549 -0.09365 84 10 H 1S -0.01389 -0.00437 -0.00313 -0.14580 85 2S 0.13793 -0.27344 0.14864 -0.16922 86 11 H 1S -0.01870 0.00393 0.06363 -0.04794 87 2S 0.21773 -0.17506 0.41160 0.18191 88 12 C 1S 0.16798 0.21053 -0.29789 0.02103 89 2S -0.86756 -1.00766 1.24072 -0.07128 90 2PX -0.01012 -0.02444 -0.02140 -0.03682 91 2PY 0.02350 -0.03248 0.02923 0.01344 92 2PZ -0.07698 -0.03357 0.10518 0.09486 93 3S -1.27575 -1.69262 2.92582 -2.19370 94 3PX 0.00799 0.11098 0.25116 0.69995 95 3PY -0.12523 0.16533 -0.45997 0.12987 96 3PZ 0.23330 0.09183 -0.38995 0.65228 97 4XX 0.64204 0.75620 -1.00221 0.04238 98 4YY 0.57647 0.86670 -1.18725 0.08413 99 4ZZ 0.75186 0.74113 -1.07431 0.10627 100 4XY -0.02899 -0.02893 0.00100 -0.03453 101 4XZ 0.05157 -0.00088 -0.01517 0.05015 102 4YZ -0.09801 -0.01052 0.07548 -0.09365 103 13 H 1S -0.01389 0.00437 0.00313 0.14580 104 2S 0.13793 0.27344 -0.14865 0.16922 105 14 H 1S -0.01870 -0.00393 -0.06363 0.04794 106 2S 0.21773 0.17506 -0.41160 -0.18191 107 15 C 1S -0.08865 0.00000 0.00000 0.00000 108 2S 0.39750 0.00000 0.00000 0.00000 109 2PX 0.04051 0.00000 0.00000 0.00000 110 2PY 0.00000 -0.01241 -0.02390 -0.07390 111 2PZ -0.00770 0.00000 0.00000 0.00000 112 3S 0.79398 0.00000 0.00000 0.00000 113 3PX -0.21555 0.00000 0.00000 0.00000 114 3PY 0.00000 -0.15140 -0.07408 -0.10265 115 3PZ 0.06602 0.00000 0.00000 0.00000 116 4XX -0.33208 0.00000 0.00000 0.00000 117 4YY -0.33348 0.00000 0.00000 0.00000 118 4ZZ -0.31768 0.00000 0.00000 0.00000 119 4XY 0.00000 0.01475 -0.01885 0.00690 120 4XZ 0.00227 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00054 -0.02228 -0.04361 122 16 C 1S 0.00633 -0.17834 -0.24161 -0.21137 123 2S 0.16523 0.98152 0.91675 0.15203 124 2PX -0.00813 -0.01938 0.00520 0.08698 125 2PY -0.00338 -0.09664 -0.10305 -0.04914 126 2PZ -0.01511 -0.02679 -0.11075 -0.04975 127 3S -0.34571 1.01616 3.28322 5.19185 128 3PX 0.09569 -0.41270 0.36043 0.33781 129 3PY 0.12757 0.07951 1.05943 1.23579 130 3PZ -0.04666 -0.34429 0.93864 1.67709 131 4XX -0.07568 -0.72296 -0.85733 -0.48358 132 4YY -0.01734 -0.85063 -0.97510 -0.67532 133 4ZZ -0.02158 -0.68691 -0.83962 -0.56738 134 4XY -0.01692 0.02066 -0.00859 -0.00884 135 4XZ 0.01704 -0.07022 0.00945 0.01514 136 4YZ 0.00893 0.04286 0.04806 0.04246 137 17 C 1S 0.00633 0.17834 0.24161 0.21137 138 2S 0.16523 -0.98152 -0.91675 -0.15203 139 2PX -0.00813 0.01938 -0.00520 -0.08698 140 2PY 0.00338 -0.09664 -0.10305 -0.04914 141 2PZ -0.01511 0.02679 0.11074 0.04974 142 3S -0.34572 -1.01617 -3.28323 -5.19185 143 3PX 0.09569 0.41270 -0.36043 -0.33781 144 3PY -0.12757 0.07950 1.05947 1.23586 145 3PZ -0.04666 0.34429 -0.93860 -1.67705 146 4XX -0.07568 0.72297 0.85733 0.48358 147 4YY -0.01734 0.85063 0.97510 0.67532 148 4ZZ -0.02158 0.68692 0.83962 0.56738 149 4XY 0.01692 0.02066 -0.00859 -0.00884 150 4XZ 0.01704 0.07022 -0.00945 -0.01514 151 4YZ -0.00893 0.04286 0.04807 0.04247 152 18 H 1S 0.02022 0.00000 0.00000 0.00000 153 2S -0.02663 0.00000 0.00000 0.00000 154 19 H 1S 0.03105 -0.03384 0.07911 -0.01537 155 2S 0.07584 -0.31712 0.14415 0.19376 156 20 H 1S 0.03105 0.03384 -0.07911 0.01537 157 2S 0.07584 0.31712 -0.14415 -0.19376 158 21 H 1S -0.02611 0.00000 0.00000 0.00000 159 2S -0.23886 0.00000 0.00000 0.00000 160 22 O 1S 0.02248 -0.02131 -0.07046 -0.15857 161 2S 0.01413 0.04384 -0.12989 -0.41042 162 2PX 0.00745 0.03175 0.02760 0.06403 163 2PY -0.01810 0.02827 0.03199 0.06994 164 2PZ 0.01785 0.00969 0.01485 0.00947 165 3S -0.30193 0.07637 1.41386 3.01478 166 3PX -0.05694 0.15156 -0.21138 -0.68382 167 3PY 0.08103 0.00406 -0.18131 -0.45748 168 3PZ -0.09217 0.14396 -0.03795 -0.20508 169 4XX 0.09222 -0.15360 -0.24682 -0.44275 170 4YY 0.09753 -0.07909 -0.24804 -0.51734 171 4ZZ 0.06837 -0.10320 -0.25742 -0.55333 172 4XY -0.02039 -0.06394 -0.02899 0.03263 173 4XZ 0.02571 -0.09105 -0.09142 0.00222 174 4YZ -0.01583 -0.05792 -0.02231 -0.00449 175 23 O 1S 0.02248 0.02131 0.07046 0.15857 176 2S 0.01413 -0.04384 0.12989 0.41042 177 2PX 0.00745 -0.03175 -0.02760 -0.06403 178 2PY 0.01810 0.02827 0.03199 0.06994 179 2PZ 0.01785 -0.00969 -0.01485 -0.00947 180 3S -0.30193 -0.07637 -1.41386 -3.01478 181 3PX -0.05695 -0.15156 0.21138 0.68382 182 3PY -0.08103 0.00407 -0.18131 -0.45749 183 3PZ -0.09217 -0.14396 0.03794 0.20506 184 4XX 0.09222 0.15360 0.24682 0.44275 185 4YY 0.09752 0.07909 0.24804 0.51734 186 4ZZ 0.06838 0.10319 0.25742 0.55333 187 4XY 0.02039 -0.06395 -0.02900 0.03263 188 4XZ 0.02571 0.09104 0.09142 -0.00221 189 4YZ 0.01583 -0.05792 -0.02231 -0.00450 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05499 2 2S -0.06133 0.32633 3 2PX 0.00315 -0.00483 0.35439 4 2PY 0.00191 0.00376 -0.02302 0.41151 5 2PZ 0.00214 0.00093 0.04001 0.00391 0.38400 6 3S -0.19781 0.29069 0.01224 -0.00350 -0.02807 7 3PX -0.00758 0.01604 0.19638 0.01982 -0.03217 8 3PY -0.00758 -0.00820 -0.00467 0.13002 -0.01758 9 3PZ 0.00297 -0.00462 -0.04853 -0.01430 0.17019 10 4XX -0.01132 -0.01296 -0.00889 0.00494 -0.00137 11 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 12 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 13 4XY 0.00161 -0.00345 0.00762 0.00005 0.00415 14 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00115 15 4YZ -0.00081 0.00153 0.00335 -0.00230 0.01081 16 2 H 1S -0.05969 0.11295 0.02941 -0.26415 -0.02265 17 2S -0.01311 0.02597 0.00927 -0.24493 -0.02199 18 3 C 1S 0.01788 -0.03384 0.05515 -0.03905 0.04364 19 2S -0.03602 0.06176 -0.11749 0.07546 -0.08981 20 2PX -0.05991 0.12166 0.00710 0.13786 -0.21175 21 2PY 0.03621 -0.07535 0.13525 -0.05073 0.08011 22 2PZ -0.04301 0.08348 -0.24259 0.06403 -0.01514 23 3S 0.01167 0.01681 -0.04581 0.10481 -0.05016 24 3PX -0.00739 0.03363 0.07528 0.06145 -0.08999 25 3PY 0.00604 -0.00949 0.09236 0.00968 0.03204 26 3PZ 0.00475 0.00613 -0.09987 0.00561 0.03877 27 4XX -0.00160 0.00278 0.00836 0.00424 -0.00521 28 4YY 0.00118 -0.00344 0.00219 -0.01331 0.00246 29 4ZZ -0.00024 0.00008 -0.00219 0.00190 0.01017 30 4XY 0.00373 -0.00671 0.00235 0.00163 0.00838 31 4XZ -0.00330 0.00637 -0.00296 0.00724 0.00074 32 4YZ 0.00332 -0.00626 0.00857 0.00162 0.00096 33 4 H 1S 0.01338 -0.02791 0.03270 -0.00421 0.03215 34 2S 0.01887 -0.03229 0.07741 0.00142 0.06794 35 5 C 1S -0.00340 0.00823 -0.00832 0.01167 -0.00446 36 2S 0.00831 -0.01879 0.02655 -0.02675 0.01369 37 2PX 0.00083 -0.00174 -0.00638 -0.00246 0.02038 38 2PY -0.01224 0.03290 -0.03169 0.03374 -0.01505 39 2PZ 0.00587 -0.01501 0.02711 -0.00710 -0.00551 40 3S -0.00303 -0.01977 -0.05035 -0.09132 -0.01050 41 3PX -0.00672 0.00622 -0.04990 -0.00084 0.00962 42 3PY -0.00510 0.01885 0.02124 0.05080 -0.00766 43 3PZ -0.00511 -0.00130 -0.00967 0.00107 -0.02947 44 4XX 0.00018 -0.00040 -0.00314 -0.00096 0.00187 45 4YY -0.00096 0.00214 -0.00147 0.00422 -0.00324 46 4ZZ -0.00025 0.00080 0.00075 0.00076 -0.00147 47 4XY 0.00180 -0.00376 -0.00179 -0.00591 0.00819 48 4XZ -0.00008 0.00016 -0.00173 -0.00001 -0.00049 49 4YZ 0.00116 -0.00224 0.01077 -0.00219 -0.00079 50 6 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 51 2S -0.01234 0.02410 -0.06563 0.03044 -0.02984 52 7 C 1S -0.00468 0.00678 0.00443 0.01024 -0.00218 53 2S 0.00678 -0.01943 -0.01494 -0.02846 0.00306 54 2PX 0.00443 -0.01494 -0.09410 -0.02688 0.03865 55 2PY -0.01024 0.02846 0.02687 0.03618 -0.01452 56 2PZ -0.00218 0.00306 0.03865 0.01453 -0.06997 57 3S 0.02825 -0.03182 0.02300 -0.03183 0.02406 58 3PX 0.00346 -0.01217 -0.08553 -0.02906 0.03407 59 3PY -0.01062 0.00751 -0.01954 -0.01164 -0.01762 60 3PZ -0.00234 0.00645 0.04464 0.01710 -0.05610 61 4XX -0.00045 -0.00045 0.00092 -0.00052 -0.00105 62 4YY -0.00084 0.00068 0.00196 0.00122 -0.00053 63 4ZZ -0.00046 0.00014 -0.00232 -0.00074 0.00066 64 4XY 0.00044 -0.00070 0.00076 -0.00097 0.00146 65 4XZ 0.00005 0.00038 0.00001 0.00024 0.00002 66 4YZ -0.00001 0.00004 0.00161 0.00042 0.00128 67 8 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 68 2S -0.00361 0.01394 0.03433 0.02541 -0.00578 69 9 C 1S 0.01252 -0.02297 -0.02143 -0.02956 -0.05185 70 2S -0.02336 0.03914 0.04299 0.05547 0.10797 71 2PX 0.01708 -0.03374 0.00050 -0.02748 -0.08301 72 2PY 0.02349 -0.04867 -0.02056 -0.03154 -0.11039 73 2PZ 0.06432 -0.13741 -0.10108 -0.12205 -0.23454 74 3S 0.00258 0.02396 0.09360 0.11180 0.08684 75 3PX 0.00271 -0.01329 -0.00003 -0.01603 -0.03736 76 3PY 0.00571 -0.01147 -0.01358 0.00262 -0.05338 77 3PZ 0.01309 -0.04403 -0.04351 -0.05773 -0.11716 78 4XX 0.00197 -0.00450 -0.00736 -0.00167 -0.00375 79 4YY 0.00081 -0.00222 -0.00072 -0.00983 -0.00224 80 4ZZ -0.00456 0.00848 0.00573 0.00739 0.00104 81 4XY -0.00115 0.00204 -0.00143 -0.00103 0.00361 82 4XZ -0.00264 0.00524 -0.00785 0.00344 0.00571 83 4YZ -0.00410 0.00767 0.00393 -0.00341 0.00869 84 10 H 1S 0.00810 -0.02346 -0.00302 -0.00514 -0.02613 85 2S 0.01254 -0.02988 0.00775 -0.01031 -0.05902 86 11 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02345 87 2S 0.01421 -0.02688 -0.08200 -0.01218 -0.02898 88 12 C 1S -0.00202 0.00420 0.00310 0.00914 0.00490 89 2S 0.00459 -0.00918 -0.00431 -0.01813 -0.01663 90 2PX -0.00180 0.00337 0.00565 0.00361 0.00160 91 2PY -0.01024 0.02611 0.00236 0.03528 0.03068 92 2PZ -0.00336 0.01374 0.00369 0.00754 0.02388 93 3S -0.00082 -0.01381 -0.04769 -0.07650 0.00218 94 3PX 0.00044 0.00408 0.00897 0.00860 -0.00185 95 3PY -0.00685 0.01928 0.00922 0.05188 0.01857 96 3PZ 0.00016 0.00716 0.01326 0.00332 0.01589 97 4XX -0.00043 0.00105 0.00160 0.00085 -0.00003 98 4YY -0.00057 0.00088 0.00257 0.00192 0.00053 99 4ZZ 0.00018 -0.00091 -0.00295 -0.00150 0.00092 100 4XY -0.00034 0.00060 -0.00054 0.00070 0.00295 101 4XZ -0.00007 0.00013 0.00227 0.00068 -0.00232 102 4YZ -0.00151 0.00341 0.00257 0.00453 0.00723 103 13 H 1S -0.00194 0.00810 -0.00892 0.00399 0.02444 104 2S -0.00257 0.00829 -0.01197 0.01246 0.03387 105 14 H 1S -0.00421 0.01109 0.01223 0.01109 0.01092 106 2S -0.00628 0.01443 0.02776 0.02015 0.01335 107 15 C 1S 0.00031 0.00016 -0.00230 -0.00028 0.00028 108 2S -0.00014 0.00012 0.00528 0.00125 -0.00036 109 2PX 0.00106 -0.00104 -0.00789 -0.00129 0.00106 110 2PY 0.00028 -0.00035 -0.00361 0.00069 -0.00187 111 2PZ -0.00089 0.00172 -0.00116 -0.00103 0.00274 112 3S -0.00167 -0.00067 0.01412 0.00313 -0.00049 113 3PX 0.00070 0.00067 -0.00054 0.00011 0.00161 114 3PY -0.00010 0.00080 0.00121 -0.00034 -0.00116 115 3PZ -0.00012 0.00145 -0.01062 -0.00170 0.00866 116 4XX 0.00047 -0.00028 -0.00260 -0.00032 0.00062 117 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 118 4ZZ -0.00034 0.00032 0.00261 0.00051 -0.00089 119 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 120 4XZ -0.00011 0.00015 0.00004 -0.00017 -0.00005 121 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 122 16 C 1S -0.00195 0.00260 -0.00843 -0.00428 0.00244 123 2S 0.00085 -0.01172 0.01025 0.00287 -0.00672 124 2PX 0.00438 -0.00253 -0.10007 -0.03473 0.05650 125 2PY -0.00057 0.00518 -0.02520 -0.01767 0.00962 126 2PZ -0.00771 0.01090 0.08812 0.02312 -0.05946 127 3S 0.01939 -0.00898 0.03369 0.03756 0.01772 128 3PX -0.00116 0.00241 -0.06898 -0.02649 0.05826 129 3PY 0.00042 0.00593 -0.01876 0.00967 0.01997 130 3PZ 0.00289 0.00279 0.07191 0.01844 -0.02544 131 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 132 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 133 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 134 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 135 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 136 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 137 17 C 1S -0.00096 0.00324 0.00345 0.00441 -0.00066 138 2S 0.00309 -0.00397 -0.00801 -0.00650 0.00422 139 2PX -0.00602 0.01970 0.00550 0.00668 -0.00167 140 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 141 2PZ 0.00542 -0.01608 -0.01141 -0.00645 0.00572 142 3S -0.00390 -0.01547 -0.01235 -0.04106 -0.01991 143 3PX -0.00525 0.01582 0.01447 0.00810 -0.01702 144 3PY 0.00344 -0.00096 0.00299 0.01500 0.01066 145 3PZ 0.00095 -0.01385 -0.02188 -0.00944 -0.00461 146 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 147 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 148 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 149 4XY -0.00037 0.00017 0.00560 0.00230 -0.00325 150 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 151 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 152 18 H 1S 0.00142 -0.00087 -0.01076 -0.00153 0.00282 153 2S 0.00191 -0.00083 -0.02156 -0.00370 0.00565 154 19 H 1S 0.00600 -0.01492 -0.02504 -0.00207 0.02148 155 2S 0.00674 -0.01323 -0.02736 -0.00707 0.02821 156 20 H 1S -0.00217 0.00570 0.01886 0.00820 -0.01269 157 2S -0.00428 0.00822 0.02244 0.01240 -0.02171 158 21 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 159 2S -0.00191 0.00050 0.01930 0.00327 -0.01360 160 22 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00038 161 2S -0.00032 0.00189 0.00260 0.00159 -0.00241 162 2PX 0.00196 -0.01053 -0.00511 -0.00636 0.00385 163 2PY 0.00012 -0.00069 -0.00505 -0.00592 0.00207 164 2PZ -0.00038 0.00618 -0.01085 -0.00505 0.00366 165 3S 0.00417 0.00260 -0.00468 0.00354 0.01629 166 3PX 0.00087 -0.00950 -0.00800 -0.00668 0.00037 167 3PY -0.00084 -0.00063 -0.00068 -0.00534 -0.00212 168 3PZ -0.00100 0.00695 -0.00652 -0.00313 0.00013 169 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 170 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 171 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 172 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 173 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 174 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 175 23 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 176 2S 0.00144 -0.00357 -0.00922 -0.00011 0.00159 177 2PX -0.00871 0.01381 0.06018 0.01144 -0.01992 178 2PY -0.00185 0.00158 0.00861 -0.00100 -0.00434 179 2PZ 0.00815 -0.00917 -0.05232 -0.01312 0.02773 180 3S -0.00560 -0.00092 -0.01760 -0.00057 -0.01792 181 3PX -0.00393 0.01001 0.05169 0.01067 -0.01445 182 3PY -0.00167 0.00082 0.00515 -0.00137 -0.00722 183 3PZ 0.00724 -0.00760 -0.04912 -0.01409 0.03125 184 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 185 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 186 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 187 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 188 4XZ 0.00009 -0.00043 -0.00078 -0.00004 0.00006 189 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 6 7 8 9 10 6 3S 0.30061 7 3PX 0.02129 0.12488 8 3PY 0.00563 0.00624 0.05321 9 3PZ -0.02581 -0.05271 -0.01514 0.09658 10 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 11 4YY 0.00386 0.00114 -0.00652 -0.00038 -0.00052 12 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 13 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 14 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 15 4YZ 0.00060 0.00006 -0.00162 0.00357 -0.00014 16 2 H 1S 0.11235 0.00498 -0.08410 -0.00406 -0.00852 17 2S 0.03320 -0.01110 -0.07232 0.00216 -0.00501 18 3 C 1S -0.00917 0.01230 -0.00984 0.00436 -0.00196 19 2S 0.03347 -0.03508 0.02573 -0.01208 0.00317 20 2PX 0.13110 0.04976 0.05357 -0.09571 -0.01090 21 2PY -0.05000 0.06232 -0.00539 0.03267 -0.00515 22 2PZ 0.09080 -0.12908 0.02377 0.02877 0.00700 23 3S -0.02631 0.00784 0.01880 -0.00661 0.00431 24 3PX 0.02878 0.06574 0.01760 -0.05088 -0.00751 25 3PY -0.00108 0.05178 0.00217 -0.00023 -0.00330 26 3PZ 0.00198 -0.06093 -0.00261 0.03336 0.00592 27 4XX 0.00396 0.00568 0.00159 -0.00484 -0.00025 28 4YY -0.00287 -0.00025 -0.00408 0.00198 -0.00020 29 4ZZ -0.00161 -0.00269 -0.00056 0.00448 0.00012 30 4XY -0.00854 -0.00001 0.00027 0.00454 0.00005 31 4XZ 0.00402 -0.00054 0.00162 0.00042 0.00004 32 4YZ -0.00762 0.00548 0.00013 -0.00162 0.00034 33 4 H 1S -0.05772 0.01770 -0.01041 0.00730 0.00307 34 2S -0.05898 0.03768 -0.01146 0.01283 0.00157 35 5 C 1S 0.00597 -0.00436 0.00283 -0.00411 0.00055 36 2S -0.02039 0.01395 -0.01068 0.00852 -0.00122 37 2PX -0.03770 -0.00491 -0.00153 0.03958 -0.00654 38 2PY 0.02416 -0.01849 -0.00564 -0.02545 0.00245 39 2PZ -0.04546 0.03621 -0.01117 -0.01414 0.00489 40 3S -0.00893 -0.03723 -0.02368 0.01302 -0.00039 41 3PX -0.00720 -0.03354 0.00135 0.03090 -0.00408 42 3PY 0.01227 0.01961 0.00591 -0.01855 0.00039 43 3PZ -0.00387 0.00655 -0.00062 -0.02248 0.00387 44 4XX 0.00001 -0.00305 0.00037 0.00163 0.00008 45 4YY 0.00135 0.00079 0.00088 -0.00087 0.00005 46 4ZZ 0.00112 0.00046 -0.00001 -0.00208 -0.00004 47 4XY -0.00563 -0.00236 -0.00276 0.00457 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 0.04153 -0.02563 0.00659 -0.01358 0.00034 51 2S 0.04888 -0.04372 0.01573 -0.01523 0.00109 52 7 C 1S 0.02825 0.00346 0.01062 -0.00234 -0.00045 53 2S -0.03182 -0.01217 -0.00751 0.00645 -0.00045 54 2PX 0.02300 -0.08553 0.01954 0.04464 0.00092 55 2PY 0.03182 0.02905 -0.01164 -0.01710 0.00052 56 2PZ 0.02406 0.03407 0.01762 -0.05610 -0.00105 57 3S -0.04410 0.00580 -0.00615 0.01062 0.00048 58 3PX 0.00580 -0.07056 0.00673 0.04023 0.00074 59 3PY 0.00615 -0.00673 -0.01300 -0.00672 0.00022 60 3PZ 0.01062 0.04023 0.00672 -0.04212 -0.00188 61 4XX 0.00048 0.00074 -0.00022 -0.00188 0.00045 62 4YY 0.00050 0.00168 -0.00039 -0.00021 -0.00016 63 4ZZ 0.00055 -0.00204 0.00018 0.00145 -0.00017 64 4XY -0.00203 0.00098 -0.00099 0.00105 -0.00001 65 4XZ -0.00018 -0.00004 -0.00026 -0.00010 -0.00019 66 4YZ -0.00050 0.00116 0.00007 0.00136 -0.00007 67 8 H 1S 0.00542 0.01174 -0.00990 -0.00326 -0.00021 68 2S 0.01443 0.02815 -0.00401 -0.00905 -0.00090 69 9 C 1S -0.00158 -0.00447 -0.00707 -0.00574 0.00165 70 2S 0.01520 0.01064 0.01663 0.02430 -0.00383 71 2PX -0.03857 0.00011 -0.00297 -0.01550 0.00730 72 2PY -0.03619 -0.00743 -0.01297 -0.05084 0.00065 73 2PZ -0.11064 -0.03885 -0.01883 -0.09077 0.00545 74 3S 0.00025 0.04852 0.02853 -0.00063 -0.00365 75 3PX -0.01153 -0.00165 0.00036 -0.00754 0.00317 76 3PY -0.00988 -0.00132 -0.00475 -0.02377 0.00081 77 3PZ -0.02320 -0.01622 -0.00275 -0.04787 0.00129 78 4XX -0.00464 -0.00411 0.00008 0.00010 0.00055 79 4YY -0.00177 -0.00125 -0.00342 -0.00014 -0.00011 80 4ZZ 0.00861 0.00456 0.00229 -0.00148 -0.00043 81 4XY 0.00249 -0.00119 -0.00060 0.00105 -0.00026 82 4XZ 0.00331 -0.00506 0.00034 0.00512 0.00024 83 4YZ 0.00612 0.00155 -0.00276 0.00415 -0.00030 84 10 H 1S -0.01620 0.00408 0.00732 -0.02954 -0.00244 85 2S -0.01438 0.01446 0.00677 -0.04306 -0.00103 86 11 H 1S -0.03206 -0.01669 0.00582 0.00221 0.00458 87 2S -0.04475 -0.04621 -0.00375 0.01693 0.00610 88 12 C 1S 0.00385 0.00368 0.00396 0.00182 0.00030 89 2S -0.00945 -0.00480 -0.00899 -0.00699 -0.00104 90 2PX 0.01292 -0.00201 0.00015 -0.00415 0.00016 91 2PY 0.02808 0.00942 0.01240 0.02231 0.00101 92 2PZ -0.00623 0.01452 -0.02514 0.02493 0.00235 93 3S -0.01020 -0.04237 -0.02365 0.01384 -0.00084 94 3PX 0.00771 0.00407 0.00201 -0.00494 0.00010 95 3PY 0.01837 0.01155 0.01565 0.00894 0.00038 96 3PZ -0.00339 0.01371 -0.01143 0.01345 0.00078 97 4XX 0.00059 0.00185 -0.00079 -0.00002 0.00012 98 4YY 0.00051 0.00138 0.00036 -0.00117 -0.00021 99 4ZZ -0.00049 -0.00227 0.00067 0.00161 0.00010 100 4XY 0.00114 -0.00075 0.00018 0.00084 -0.00020 101 4XZ -0.00027 0.00192 0.00021 -0.00237 -0.00014 102 4YZ 0.00211 0.00124 0.00038 0.00342 -0.00004 103 13 H 1S -0.00360 -0.00075 -0.00943 0.02497 0.00137 104 2S 0.00098 -0.00617 -0.00178 0.02866 0.00250 105 14 H 1S 0.01102 0.00908 -0.00455 0.00279 -0.00024 106 2S 0.01061 0.02205 -0.00342 -0.00198 -0.00114 107 15 C 1S -0.00427 -0.00077 -0.00191 0.00078 0.00004 108 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 109 2PX -0.01577 -0.00104 -0.00453 0.00864 0.00021 110 2PY -0.00789 0.00268 0.00141 0.00227 0.00035 111 2PZ 0.01037 -0.00059 0.00641 0.00421 -0.00101 112 3S 0.00771 0.00509 0.00322 -0.00671 0.00069 113 3PX -0.00049 0.00104 0.00155 0.00251 -0.00030 114 3PY 0.00407 0.00170 0.00207 -0.00056 -0.00023 115 3PZ -0.00685 -0.00525 -0.00533 0.00993 -0.00113 116 4XX -0.00398 -0.00129 -0.00246 0.00156 0.00006 117 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 118 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 119 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 120 4XZ 0.00050 -0.00014 -0.00009 -0.00040 -0.00006 121 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 122 16 C 1S 0.00479 0.00167 -0.00191 0.00396 -0.00149 123 2S 0.00188 -0.00231 0.00686 -0.00722 0.00264 124 2PX -0.00879 -0.06592 -0.01521 0.05403 -0.00496 125 2PY -0.00296 -0.01542 -0.00272 0.01962 -0.00346 126 2PZ 0.03433 0.06243 0.01959 -0.05024 0.00291 127 3S 0.00633 0.00809 0.01663 -0.00658 0.00472 128 3PX -0.01131 -0.04891 -0.01405 0.04815 -0.00307 129 3PY -0.00142 -0.01363 -0.00006 0.01788 -0.00193 130 3PZ 0.01276 0.04703 0.01041 -0.03220 0.00247 131 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 132 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 133 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 134 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 135 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 136 4YZ 0.00001 -0.00253 0.00115 -0.00021 0.00043 137 17 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 138 2S -0.00631 -0.00581 -0.00158 0.00434 0.00121 139 2PX -0.01557 0.01645 -0.02124 -0.00020 -0.00642 140 2PY 0.00887 0.01834 0.00077 -0.01980 0.00218 141 2PZ 0.00404 -0.02241 0.01483 -0.00082 0.00551 142 3S -0.00131 -0.00671 -0.00009 -0.00727 0.00314 143 3PX -0.00104 0.01959 -0.01035 -0.00997 -0.00457 144 3PY 0.00791 -0.00145 0.00611 -0.00096 0.00247 145 3PZ 0.00824 -0.02259 0.01130 -0.00260 0.00448 146 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 147 4YY 0.00091 0.00000 0.00033 -0.00013 0.00001 148 4ZZ -0.00076 0.00059 -0.00107 -0.00012 -0.00011 149 4XY 0.00075 0.00377 0.00101 -0.00331 0.00023 150 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 151 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 152 18 H 1S -0.01834 -0.00436 -0.01006 0.00827 0.00012 153 2S -0.02969 -0.00958 -0.01784 0.01473 -0.00027 154 19 H 1S -0.01940 -0.02450 -0.00643 0.01187 0.00237 155 2S -0.02510 -0.02492 -0.01126 0.01827 0.00128 156 20 H 1S 0.00326 0.01990 -0.00386 -0.01165 -0.00039 157 2S 0.00516 0.02251 -0.00369 -0.01651 -0.00119 158 21 H 1S 0.02158 0.00373 0.01273 -0.00671 -0.00017 159 2S 0.03436 0.00894 0.02261 -0.01664 0.00052 160 22 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 161 2S -0.01174 0.00062 -0.00710 -0.00261 0.00009 162 2PX 0.01339 -0.00598 0.01718 0.00465 0.00284 163 2PY 0.01504 -0.01028 0.00351 0.00627 -0.00057 164 2PZ -0.00940 -0.00676 -0.01291 0.01134 -0.00300 165 3S -0.02205 -0.00577 -0.01075 0.01418 -0.00127 166 3PX 0.00989 -0.00764 0.01268 0.00164 0.00285 167 3PY 0.01203 -0.00555 0.00296 0.00118 -0.00037 168 3PZ -0.00809 -0.00206 -0.01200 0.00637 -0.00270 169 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 170 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 171 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 172 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 173 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 174 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 175 23 O 1S -0.00072 -0.00230 -0.00275 -0.00410 0.00035 176 2S 0.00713 0.00370 0.00818 0.00912 -0.00046 177 2PX 0.06014 0.03304 0.03526 -0.03603 -0.00293 178 2PY 0.03806 -0.01207 0.00554 -0.01763 -0.00032 179 2PZ -0.09377 -0.02384 -0.05511 0.04420 0.00201 180 3S 0.00112 0.00864 0.00729 0.00832 -0.00246 181 3PX 0.04692 0.02864 0.02790 -0.02875 -0.00148 182 3PY 0.02465 -0.00708 0.00346 -0.01326 -0.00033 183 3PZ -0.06964 -0.02555 -0.04139 0.04031 0.00128 184 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 185 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 186 4ZZ 0.00015 -0.00189 0.00023 0.00145 -0.00001 187 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 188 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 189 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 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 -0.00155 -0.00194 0.00170 17 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 18 3 C 1S 0.00153 0.00017 0.00334 -0.00415 0.00299 19 2S -0.00338 -0.00118 -0.00665 0.00766 -0.00599 20 2PX -0.00154 0.00180 -0.00345 0.00321 -0.00806 21 2PY 0.01234 -0.00099 -0.00259 -0.00661 -0.00166 22 2PZ -0.00144 -0.01328 -0.00806 0.00046 -0.00180 23 3S -0.00597 0.00227 -0.00401 0.00598 -0.00437 24 3PX -0.00072 0.00471 0.00042 0.00115 -0.00323 25 3PY 0.00312 0.00133 0.00006 -0.00283 0.00034 26 3PZ -0.00082 -0.00632 -0.00233 -0.00064 0.00096 27 4XX -0.00024 0.00025 0.00028 -0.00010 0.00001 28 4YY 0.00096 -0.00037 -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 0.00350 0.00387 0.00211 34 2S -0.00515 0.00695 0.00520 0.00176 0.00393 35 5 C 1S -0.00184 0.00071 0.00099 0.00063 0.00075 36 2S 0.00439 -0.00116 -0.00185 -0.00122 -0.00145 37 2PX 0.00163 0.00388 0.00106 0.00247 -0.00232 38 2PY -0.00978 0.00242 0.00569 0.00138 0.00452 39 2PZ 0.00043 -0.00350 -0.00147 -0.00179 0.00111 40 3S 0.00672 -0.00420 -0.00341 -0.00159 -0.00237 41 3PX 0.00057 0.00209 -0.00024 0.00231 -0.00190 42 3PY -0.00498 0.00247 0.00201 0.00038 0.00139 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 0.00058 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 -0.00161 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 0.00168 -0.00204 -0.00098 -0.00004 -0.00116 59 3PY 0.00039 -0.00018 -0.00099 0.00026 0.00007 60 3PZ -0.00021 0.00145 -0.00105 -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 0.00168 -0.00512 -0.00133 -0.00200 -0.00340 70 2S -0.00346 0.00885 0.00249 0.00368 0.00664 71 2PX 0.00096 -0.00570 0.00081 0.00911 -0.00319 72 2PY 0.00950 -0.00773 0.00065 -0.00272 0.00439 73 2PZ 0.00364 0.00068 -0.00406 -0.00358 -0.00854 74 3S -0.00684 0.01172 0.00382 0.00373 0.00655 75 3PX 0.00064 -0.00266 0.00044 0.00421 -0.00139 76 3PY 0.00362 -0.00391 -0.00012 -0.00107 0.00182 77 3PZ 0.00256 -0.00033 -0.00239 -0.00117 -0.00426 78 4XX -0.00029 0.00004 -0.00017 0.00026 -0.00039 79 4YY 0.00085 -0.00055 0.00004 -0.00019 0.00020 80 4ZZ -0.00039 0.00029 -0.00001 -0.00011 -0.00009 81 4XY 0.00005 0.00009 -0.00006 -0.00038 0.00013 82 4XZ -0.00016 -0.00052 -0.00012 0.00062 0.00011 83 4YZ 0.00031 -0.00033 0.00008 0.00002 0.00031 84 10 H 1S -0.00242 0.00811 -0.00106 -0.00401 -0.00144 85 2S -0.00166 0.00534 -0.00102 -0.00503 -0.00280 86 11 H 1S -0.00287 0.00116 -0.00002 0.00707 -0.00220 87 2S -0.00199 -0.00220 -0.00147 0.00575 -0.00328 88 12 C 1S -0.00148 0.00048 -0.00034 0.00008 -0.00110 89 2S 0.00319 -0.00116 0.00074 -0.00025 0.00199 90 2PX -0.00054 0.00018 0.00001 -0.00082 -0.00032 91 2PY -0.00818 0.00392 -0.00173 0.00099 -0.00724 92 2PZ -0.00101 0.00006 -0.00056 -0.00056 -0.00107 93 3S 0.00541 -0.00338 0.00077 -0.00033 0.00250 94 3PX -0.00059 0.00022 0.00018 -0.00058 -0.00018 95 3PY -0.00566 0.00313 -0.00045 0.00110 -0.00318 96 3PZ 0.00002 -0.00023 -0.00014 -0.00060 -0.00055 97 4XX -0.00023 0.00006 -0.00006 -0.00005 -0.00021 98 4YY 0.00009 0.00022 0.00008 0.00008 0.00034 99 4ZZ -0.00009 -0.00005 -0.00001 0.00003 -0.00021 100 4XY -0.00003 0.00017 -0.00002 -0.00028 0.00007 101 4XZ -0.00003 0.00008 -0.00002 0.00001 0.00004 102 4YZ -0.00020 0.00002 0.00012 0.00009 0.00018 103 13 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 104 2S -0.00204 -0.00038 0.00006 0.00099 -0.00117 105 14 H 1S -0.00155 0.00123 -0.00019 -0.00082 -0.00098 106 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 107 15 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 108 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 109 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 110 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 111 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 112 3S -0.00020 -0.00002 0.00016 -0.00113 0.00013 113 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 114 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 115 3PZ 0.00041 0.00051 -0.00026 0.00024 0.00028 116 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 117 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 118 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 119 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 120 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 121 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 122 16 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 123 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 124 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 125 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 126 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 127 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 128 3PX 0.00184 -0.00015 -0.00135 0.00369 0.00132 129 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 130 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 131 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 132 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 133 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 134 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 135 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 136 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 137 17 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 138 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 139 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 140 2PY -0.00126 -0.00002 -0.00056 -0.00109 0.00046 141 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 142 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 143 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 144 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 145 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 146 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 147 4YY 0.00000 -0.00004 0.00001 -0.00003 -0.00001 148 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 149 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 150 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 151 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 152 18 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 153 2S 0.00042 0.00041 -0.00035 0.00087 0.00012 154 19 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 155 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 156 20 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 157 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 158 21 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 159 2S -0.00042 -0.00084 0.00028 -0.00005 -0.00029 160 22 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 161 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 162 2PX -0.00074 -0.00252 0.00087 -0.00149 -0.00036 163 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 164 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 165 3S 0.00029 0.00151 0.00019 0.00050 0.00001 166 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 167 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 168 3PZ 0.00102 0.00155 -0.00056 0.00155 0.00033 169 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 170 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 171 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 172 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 173 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 174 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 175 23 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 176 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 177 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 178 2PY 0.00000 0.00000 -0.00031 0.00046 -0.00005 179 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 180 3S 0.00010 0.00027 -0.00047 0.00070 -0.00070 181 3PX -0.00019 0.00035 0.00083 -0.00011 0.00009 182 3PY 0.00005 0.00008 -0.00030 0.00019 -0.00017 183 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 184 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 185 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 186 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 187 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 188 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 189 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 16 17 18 19 20 16 2 H 1S 0.21714 17 2S 0.17586 0.16496 18 3 C 1S 0.01211 0.01361 2.05271 19 2S -0.02454 -0.02472 -0.06213 0.32496 20 2PX -0.02455 -0.04780 0.00133 0.00226 0.36896 21 2PY 0.03575 0.07142 0.00053 0.00162 0.00011 22 2PZ -0.01201 -0.01045 -0.00083 0.00777 0.03332 23 3S -0.06200 -0.05922 -0.16067 0.24765 -0.01951 24 3PX -0.01712 -0.02896 0.00664 -0.02275 0.18141 25 3PY 0.00229 0.00593 0.00378 -0.01621 0.01322 26 3PZ -0.00667 -0.00120 0.00494 -0.01459 -0.05968 27 4XX -0.00145 -0.00308 -0.01431 -0.00947 0.00801 28 4YY 0.00806 0.00889 -0.01700 -0.00308 -0.00427 29 4ZZ -0.00273 -0.00329 -0.01612 -0.00535 -0.00689 30 4XY -0.00411 -0.00215 -0.00088 0.00123 -0.00498 31 4XZ -0.00313 -0.00474 -0.00455 0.00944 -0.00068 32 4YZ -0.00349 -0.00262 -0.00203 0.00342 -0.00949 33 4 H 1S -0.02290 -0.02758 -0.06016 0.11224 -0.13263 34 2S -0.02724 -0.03410 -0.01303 0.02496 -0.12150 35 5 C 1S -0.00849 -0.01195 0.01672 -0.03254 0.00479 36 2S 0.01865 0.02528 -0.03254 0.05577 -0.01028 37 2PX 0.00146 0.01055 0.00479 -0.01028 0.11573 38 2PY -0.03521 -0.06878 0.07797 -0.16058 0.00850 39 2PZ 0.00130 0.00305 -0.00359 0.00091 -0.08833 40 3S 0.05609 0.06422 -0.00467 0.03451 -0.00798 41 3PX 0.00088 0.00665 0.00094 0.00533 0.08530 42 3PY -0.03258 -0.04800 0.01400 -0.04348 0.01552 43 3PZ -0.00069 -0.00210 -0.00371 0.00939 -0.04784 44 4XX -0.00029 -0.00007 0.00249 -0.00552 0.00010 45 4YY -0.00127 -0.00118 -0.00695 0.01218 0.00108 46 4ZZ -0.00082 -0.00192 0.00269 -0.00612 0.00091 47 4XY 0.00167 0.00249 -0.00016 -0.00021 -0.01297 48 4XZ -0.00027 -0.00048 0.00058 -0.00150 0.00061 49 4YZ 0.00090 0.00055 -0.00018 -0.00010 -0.00005 50 6 H 1S -0.00941 -0.02008 0.01228 -0.02562 0.01875 51 2S -0.01833 -0.02682 0.01464 -0.02568 0.03388 52 7 C 1S -0.00252 -0.00361 -0.00340 0.00831 0.00083 53 2S 0.00795 0.01394 0.00823 -0.01879 -0.00174 54 2PX 0.01088 0.03433 -0.00832 0.02655 -0.00638 55 2PY -0.00924 -0.02541 -0.01167 0.02675 0.00246 56 2PZ -0.00291 -0.00578 -0.00446 0.01369 0.02038 57 3S 0.00542 0.01443 0.00597 -0.02039 -0.03770 58 3PX 0.01174 0.02815 -0.00436 0.01395 -0.00491 59 3PY 0.00990 0.00402 -0.00283 0.01068 0.00153 60 3PZ -0.00326 -0.00905 -0.00411 0.00852 0.03958 61 4XX -0.00021 -0.00090 0.00055 -0.00122 -0.00654 62 4YY 0.00086 0.00150 -0.00184 0.00439 0.00163 63 4ZZ -0.00008 -0.00030 0.00071 -0.00116 0.00388 64 4XY 0.00059 0.00078 -0.00099 0.00185 -0.00106 65 4XZ -0.00022 -0.00062 0.00063 -0.00122 0.00247 66 4YZ -0.00041 -0.00057 -0.00075 0.00145 0.00232 67 8 H 1S 0.00159 -0.00152 -0.00849 0.01865 0.00146 68 2S -0.00152 -0.00431 -0.01195 0.02528 0.01055 69 9 C 1S 0.01166 0.01409 -0.00300 0.00562 0.00514 70 2S -0.02374 -0.02635 0.00650 -0.01505 -0.01443 71 2PX 0.00669 0.01508 -0.00839 0.02187 -0.00068 72 2PY 0.03133 0.05916 -0.00131 0.00319 0.00228 73 2PZ 0.03240 0.06668 -0.01208 0.03132 0.04903 74 3S -0.06426 -0.06879 0.00759 -0.01647 0.00175 75 3PX 0.00613 0.00961 -0.00454 0.00903 -0.00129 76 3PY 0.00753 0.01769 -0.00411 0.00872 0.00734 77 3PZ 0.02545 0.03802 -0.00802 0.01864 0.04076 78 4XX -0.00156 -0.00043 -0.00114 0.00235 -0.00086 79 4YY 0.00650 0.00718 0.00068 -0.00152 -0.00310 80 4ZZ -0.00183 -0.00457 -0.00030 0.00016 0.00630 81 4XY 0.00121 0.00058 0.00024 -0.00073 -0.00134 82 4XZ -0.00093 -0.00158 -0.00130 0.00292 -0.00157 83 4YZ 0.00478 0.00206 0.00054 -0.00141 -0.00384 84 10 H 1S -0.00897 -0.00497 0.00158 -0.00347 0.02933 85 2S -0.00567 -0.00227 0.00142 -0.00405 0.02930 86 11 H 1S -0.01340 -0.00728 -0.00759 0.01927 0.00233 87 2S -0.01059 -0.00004 -0.01116 0.02904 -0.00205 88 12 C 1S -0.00717 -0.00907 -0.00267 0.00503 0.00128 89 2S 0.01458 0.01876 0.00479 -0.00883 0.00214 90 2PX -0.00151 -0.00485 -0.00207 0.00444 -0.00674 91 2PY -0.03618 -0.06045 -0.00390 0.00856 0.02849 92 2PZ -0.00435 -0.01994 -0.00787 0.01255 -0.01133 93 3S 0.04598 0.05206 0.01324 -0.02297 -0.02357 94 3PX -0.00396 -0.00610 -0.00106 0.00172 -0.00051 95 3PY -0.03698 -0.04915 -0.00348 0.00737 0.02761 96 3PZ -0.00019 -0.00658 -0.00485 0.00736 -0.00615 97 4XX -0.00081 -0.00228 -0.00029 0.00034 -0.00037 98 4YY -0.00011 0.00023 -0.00010 0.00024 0.00060 99 4ZZ -0.00001 0.00044 0.00024 -0.00041 0.00010 100 4XY -0.00029 -0.00036 0.00007 -0.00035 -0.00023 101 4XZ -0.00020 -0.00043 0.00019 -0.00044 0.00102 102 4YZ -0.00198 -0.00306 0.00020 -0.00082 -0.00128 103 13 H 1S -0.00529 -0.01306 -0.00137 0.00184 -0.00285 104 2S -0.01224 -0.01808 -0.00228 0.00336 -0.01502 105 14 H 1S -0.00724 -0.01829 -0.00059 0.00017 0.00193 106 2S -0.01154 -0.02512 -0.00092 -0.00024 0.00534 107 15 C 1S 0.00003 0.00032 -0.00034 0.00050 0.00186 108 2S -0.00057 -0.00251 0.00067 -0.00179 -0.00524 109 2PX -0.00048 0.00236 -0.00090 0.00227 0.00497 110 2PY -0.00079 0.00311 -0.00109 0.00156 0.00104 111 2PZ 0.00234 0.00527 0.00032 0.00003 0.00697 112 3S -0.00148 -0.00319 0.00165 -0.00332 -0.01102 113 3PX -0.00031 0.00077 0.00030 -0.00055 0.00236 114 3PY 0.00086 0.00099 -0.00028 0.00057 0.00142 115 3PZ 0.00146 0.00219 -0.00027 0.00123 0.01152 116 4XX -0.00016 -0.00032 -0.00023 0.00067 0.00161 117 4YY 0.00008 0.00021 0.00009 -0.00031 -0.00023 118 4ZZ 0.00006 0.00022 0.00007 -0.00029 -0.00126 119 4XY -0.00003 0.00011 -0.00002 0.00031 -0.00120 120 4XZ 0.00021 0.00000 -0.00003 0.00015 0.00061 121 4YZ 0.00029 -0.00036 0.00011 -0.00011 0.00132 122 16 C 1S 0.00408 0.00292 -0.00178 0.00269 0.00919 123 2S -0.00633 -0.00297 0.00265 -0.00452 -0.02100 124 2PX 0.01726 0.02258 -0.00503 0.01912 0.03137 125 2PY 0.01446 0.01732 -0.00170 0.00504 0.01828 126 2PZ -0.00486 -0.01181 0.00224 -0.00609 -0.00582 127 3S -0.02949 -0.02846 0.00362 -0.01131 -0.05396 128 3PX 0.01402 0.01788 -0.00660 0.01009 0.00585 129 3PY -0.00485 -0.00477 -0.00256 0.00680 0.01974 130 3PZ -0.00815 -0.01338 0.00154 -0.01149 -0.02472 131 4XX 0.00033 -0.00067 -0.00079 0.00083 0.00598 132 4YY 0.00113 0.00161 -0.00013 -0.00023 -0.00212 133 4ZZ -0.00055 -0.00050 -0.00029 0.00012 -0.00135 134 4XY 0.00137 0.00017 0.00016 -0.00026 0.00434 135 4XZ -0.00012 0.00045 -0.00048 0.00093 -0.00196 136 4YZ -0.00127 -0.00062 0.00029 -0.00044 -0.00517 137 17 C 1S -0.00154 -0.00261 -0.00069 0.00137 0.01089 138 2S 0.00206 0.00376 0.00058 -0.00173 -0.02273 139 2PX 0.00479 -0.00464 -0.00297 0.00820 0.07781 140 2PY -0.00970 -0.01643 -0.00009 -0.00136 -0.01163 141 2PZ -0.00401 0.00638 0.00128 -0.00391 -0.05907 142 3S 0.02037 0.02622 0.00390 -0.00677 -0.05255 143 3PX 0.00386 -0.00368 -0.00129 0.00638 0.05986 144 3PY -0.01136 -0.01246 -0.00151 0.00182 -0.02887 145 3PZ -0.00076 0.00671 0.00188 -0.00093 -0.04678 146 4XX -0.00022 0.00028 -0.00022 0.00029 0.00077 147 4YY 0.00017 0.00015 -0.00006 0.00020 -0.00040 148 4ZZ -0.00023 -0.00083 -0.00029 0.00039 0.00168 149 4XY -0.00116 -0.00147 0.00007 -0.00073 -0.00112 150 4XZ -0.00024 -0.00089 -0.00015 0.00017 0.00113 151 4YZ 0.00057 0.00104 -0.00021 0.00063 0.00166 152 18 H 1S -0.00050 -0.00051 -0.00094 0.00273 0.00763 153 2S 0.00055 0.00036 -0.00200 0.00547 0.01682 154 19 H 1S -0.00805 -0.00416 0.00083 -0.00296 -0.02683 155 2S -0.00435 -0.00116 0.00005 -0.00132 -0.01968 156 20 H 1S -0.00202 -0.00894 0.00040 -0.00107 0.00591 157 2S -0.00284 -0.01062 0.00059 -0.00059 0.02536 158 21 H 1S 0.00045 0.00163 0.00063 -0.00138 -0.00488 159 2S 0.00001 0.00218 0.00066 -0.00226 -0.01326 160 22 O 1S 0.00027 0.00064 0.00003 0.00038 -0.00238 161 2S -0.00065 -0.00182 0.00010 -0.00105 0.00425 162 2PX -0.00043 0.00851 0.00146 -0.00392 -0.04303 163 2PY 0.00414 0.00308 0.00082 0.00067 0.00103 164 2PZ 0.00615 0.00135 -0.00083 0.00297 0.03259 165 3S -0.00284 -0.00272 -0.00062 -0.00216 0.01710 166 3PX 0.00000 0.00714 0.00134 -0.00261 -0.03879 167 3PY 0.00403 0.00308 0.00076 0.00013 0.00031 168 3PZ 0.00529 0.00040 -0.00103 0.00346 0.03012 169 4XX -0.00014 0.00008 0.00009 -0.00010 -0.00275 170 4YY 0.00004 -0.00003 0.00004 0.00005 -0.00045 171 4ZZ 0.00006 -0.00024 0.00015 -0.00011 0.00128 172 4XY 0.00017 -0.00002 -0.00003 0.00009 0.00141 173 4XZ 0.00000 -0.00006 0.00002 -0.00004 0.00042 174 4YZ 0.00008 0.00028 -0.00002 0.00009 -0.00003 175 23 O 1S 0.00030 -0.00252 0.00025 -0.00140 -0.00322 176 2S -0.00116 0.00539 -0.00129 0.00318 0.00264 177 2PX 0.00314 -0.00053 0.00317 -0.01246 -0.00852 178 2PY 0.00246 -0.00903 0.00082 0.00223 0.00006 179 2PZ -0.00083 -0.00038 -0.00062 0.00105 0.00173 180 3S 0.00162 0.01044 0.00114 0.00790 0.03874 181 3PX 0.00071 -0.00212 0.00189 -0.01050 -0.01370 182 3PY 0.00217 -0.00531 0.00093 0.00179 0.00431 183 3PZ 0.00107 0.00268 -0.00173 0.00209 -0.00205 184 4XX -0.00078 -0.00088 -0.00008 -0.00055 -0.00230 185 4YY 0.00045 -0.00030 -0.00033 -0.00005 -0.00142 186 4ZZ -0.00011 0.00018 -0.00035 0.00000 -0.00131 187 4XY 0.00008 -0.00009 0.00003 -0.00064 -0.00059 188 4XZ -0.00013 0.00014 0.00017 0.00006 0.00018 189 4YZ -0.00054 -0.00048 -0.00007 -0.00021 -0.00132 21 22 23 24 25 21 2PY 0.41335 22 2PZ -0.00266 0.39023 23 3S 0.01122 -0.02947 0.25009 24 3PX 0.01273 -0.07523 -0.00529 0.12000 25 3PY 0.13842 -0.02579 0.00772 0.02131 0.06237 26 3PZ -0.00573 0.16792 -0.01273 -0.06577 -0.01396 27 4XX -0.00593 -0.00344 -0.00562 0.00526 0.00007 28 4YY 0.01307 -0.00040 -0.00311 -0.00157 0.00297 29 4ZZ -0.01026 -0.00257 -0.00246 -0.00264 -0.00301 30 4XY 0.00024 -0.01075 0.00261 0.00016 -0.00037 31 4XZ -0.00920 -0.00219 0.00814 -0.00040 -0.00261 32 4YZ -0.00196 -0.01031 0.00706 -0.00159 0.00072 33 4 H 1S -0.13076 -0.18749 0.11509 -0.03241 -0.03911 34 2S -0.11785 -0.18087 0.05423 -0.01788 -0.02558 35 5 C 1S -0.07797 -0.00359 -0.00467 0.00094 -0.01400 36 2S 0.16058 0.00092 0.03451 0.00533 0.04348 37 2PX -0.00850 -0.08833 -0.00798 0.08530 -0.01552 38 2PY -0.31237 -0.00041 -0.12660 0.01487 -0.09114 39 2PZ 0.00039 0.08701 0.05754 -0.03723 0.01191 40 3S 0.12660 0.05754 -0.01750 -0.01591 0.01403 41 3PX -0.01487 -0.03723 -0.01591 0.04727 -0.01987 42 3PY -0.09114 -0.01192 -0.01404 0.01987 -0.01363 43 3PZ -0.01855 0.07390 0.02529 -0.03342 -0.00058 44 4XX -0.00873 -0.00017 -0.00630 -0.00086 -0.00383 45 4YY 0.00580 0.00050 0.01205 -0.00009 0.00269 46 4ZZ -0.00925 -0.00155 -0.00574 0.00114 -0.00259 47 4XY -0.00146 0.00018 0.00225 -0.00623 -0.00083 48 4XZ -0.00312 0.00043 -0.00359 0.00029 -0.00186 49 4YZ 0.00022 -0.01358 0.00428 0.00435 0.00192 50 6 H 1S -0.04294 0.01319 -0.06039 -0.00249 -0.01989 51 2S -0.08633 0.03937 -0.06761 -0.00572 -0.03824 52 7 C 1S 0.01224 0.00587 -0.00303 -0.00672 0.00510 53 2S -0.03290 -0.01501 -0.01977 0.00622 -0.01885 54 2PX 0.03169 0.02711 -0.05035 -0.04990 -0.02124 55 2PY 0.03374 0.00710 0.09132 0.00084 0.05080 56 2PZ 0.01505 -0.00551 -0.01050 0.00962 0.00766 57 3S -0.02416 -0.04546 -0.00893 -0.00720 -0.01227 58 3PX 0.01849 0.03621 -0.03723 -0.03354 -0.01961 59 3PY -0.00564 0.01117 0.02368 -0.00135 0.00591 60 3PZ 0.02545 -0.01414 0.01302 0.03090 0.01856 61 4XX -0.00245 0.00489 -0.00039 -0.00408 -0.00039 62 4YY 0.00978 0.00043 0.00672 0.00057 0.00498 63 4ZZ -0.00241 -0.00350 -0.00419 0.00209 -0.00247 64 4XY 0.00569 0.00147 0.00341 0.00024 0.00201 65 4XZ -0.00138 -0.00179 -0.00159 0.00231 -0.00038 66 4YZ 0.00452 -0.00111 0.00237 0.00190 0.00139 67 8 H 1S 0.03521 0.00130 0.05609 0.00088 0.03258 68 2S 0.06878 0.00305 0.06422 0.00665 0.04800 69 9 C 1S -0.00155 0.01145 0.00523 0.00086 -0.00403 70 2S 0.00592 -0.02805 -0.00898 0.00033 0.00849 71 2PX -0.01087 0.03290 0.02770 -0.00835 -0.02936 72 2PY 0.00421 0.00689 -0.00917 -0.00778 0.00647 73 2PZ -0.00703 0.02307 0.00219 0.01027 -0.03196 74 3S -0.01090 -0.07811 0.01674 0.02532 0.02144 75 3PX -0.00744 0.01497 0.00631 -0.00640 -0.01540 76 3PY 0.00450 0.02096 0.01091 -0.00283 0.00708 77 3PZ 0.00837 0.02261 -0.00610 0.00785 -0.01122 78 4XX -0.00219 0.00526 0.00156 -0.00186 -0.00296 79 4YY 0.00171 -0.00200 -0.00276 -0.00146 -0.00003 80 4ZZ -0.00095 -0.00133 0.00089 0.00367 0.00189 81 4XY -0.00013 0.00012 -0.00124 -0.00085 0.00104 82 4XZ -0.00304 0.00928 0.00203 -0.00284 -0.00235 83 4YZ 0.00173 -0.00056 0.00073 -0.00128 0.00183 84 10 H 1S 0.00309 -0.02865 -0.01230 0.01935 0.00436 85 2S -0.00013 -0.02535 -0.01121 0.01789 0.00456 86 11 H 1S -0.01533 0.03244 0.01770 -0.00668 -0.02873 87 2S -0.02105 0.07096 0.02303 -0.01668 -0.03781 88 12 C 1S 0.00375 0.00577 0.01091 0.00010 0.00349 89 2S -0.00681 -0.01508 -0.02105 0.00217 -0.00597 90 2PX 0.00763 0.00880 0.01312 -0.00580 0.01726 91 2PY -0.01161 0.00380 0.01906 0.01994 -0.00708 92 2PZ 0.02367 0.02037 0.07872 0.00221 0.02449 93 3S -0.03018 -0.00944 -0.06109 -0.01894 -0.02946 94 3PX 0.00183 0.00166 0.00820 -0.00075 0.00912 95 3PY -0.00891 -0.00192 0.01690 0.01748 -0.00055 96 3PZ 0.02432 0.00453 0.04098 0.00211 0.01699 97 4XX -0.00022 0.00077 0.00343 0.00067 0.00109 98 4YY 0.00192 -0.00177 0.00111 0.00062 0.00183 99 4ZZ -0.00197 0.00059 -0.00283 -0.00075 -0.00254 100 4XY 0.00100 -0.00059 -0.00078 -0.00013 0.00123 101 4XZ -0.00088 -0.00064 -0.00001 0.00164 0.00060 102 4YZ 0.00015 -0.00008 0.00127 0.00001 0.00086 103 13 H 1S -0.00018 0.00657 0.02056 0.00050 -0.00488 104 2S -0.00379 0.01956 0.01847 -0.01192 -0.00768 105 14 H 1S 0.00229 -0.00061 0.01949 0.00705 0.01408 106 2S 0.00699 -0.00762 0.02803 0.01617 0.02155 107 15 C 1S -0.00057 -0.00048 0.00279 0.00243 -0.00033 108 2S 0.00022 0.00168 -0.00557 -0.00495 0.00172 109 2PX -0.00063 -0.00143 0.01185 0.00676 -0.00378 110 2PY -0.00156 0.00200 0.00972 0.00404 -0.00215 111 2PZ 0.00135 -0.00801 -0.00517 0.00460 0.00088 112 3S 0.00436 0.00234 -0.00761 -0.00954 0.00351 113 3PX -0.00139 -0.00356 0.00088 0.00233 -0.00134 114 3PY -0.00024 -0.00168 -0.00171 0.00068 -0.00042 115 3PZ 0.00191 -0.00961 0.00308 0.01175 0.00035 116 4XX -0.00012 -0.00048 0.00205 0.00194 -0.00033 117 4YY 0.00001 0.00004 0.00078 0.00019 -0.00022 118 4ZZ -0.00012 0.00031 -0.00281 -0.00202 0.00042 119 4XY -0.00028 0.00135 -0.00118 -0.00160 -0.00109 120 4XZ 0.00025 -0.00047 -0.00047 0.00030 0.00028 121 4YZ 0.00029 -0.00148 -0.00189 0.00040 0.00074 122 16 C 1S 0.00007 -0.00379 0.00660 0.00950 -0.00149 123 2S 0.00007 0.01060 -0.01526 -0.02241 0.00030 124 2PX 0.00231 -0.00562 -0.01133 0.02166 -0.01371 125 2PY 0.00155 -0.01159 0.00914 0.01859 -0.00229 126 2PZ -0.00214 -0.00874 -0.00463 -0.01003 0.00721 127 3S 0.00009 0.02764 -0.00267 -0.04285 0.01053 128 3PX 0.00333 0.00106 -0.00189 0.00789 -0.00921 129 3PY -0.00114 -0.01112 0.00725 0.01495 -0.00064 130 3PZ -0.00222 -0.00967 0.00411 -0.01273 0.00996 131 4XX 0.00039 -0.00412 -0.00147 0.00315 0.00123 132 4YY 0.00021 0.00109 0.00113 -0.00074 -0.00027 133 4ZZ 0.00021 0.00082 0.00123 -0.00017 -0.00052 134 4XY 0.00101 -0.00386 0.00143 0.00423 0.00158 135 4XZ -0.00047 0.00187 -0.00108 -0.00206 -0.00124 136 4YZ -0.00091 0.00430 -0.00187 -0.00491 -0.00049 137 17 C 1S 0.00262 -0.00738 0.00207 0.00807 0.00240 138 2S -0.00401 0.01701 0.00404 -0.01433 -0.00315 139 2PX 0.01577 -0.05629 0.03491 0.07599 0.02114 140 2PY -0.00430 0.01176 -0.00095 -0.01105 0.00159 141 2PZ -0.01022 0.04328 -0.02183 -0.05769 -0.01045 142 3S -0.01290 0.03693 -0.01672 -0.04058 -0.01633 143 3PX 0.01205 -0.04004 0.01873 0.05288 0.01493 144 3PY -0.00198 0.02420 0.00030 -0.02555 0.00055 145 3PZ -0.01428 0.04463 -0.02370 -0.04985 -0.01447 146 4XX 0.00019 0.00000 -0.00099 -0.00035 -0.00038 147 4YY 0.00036 0.00041 -0.00034 -0.00066 0.00015 148 4ZZ 0.00028 -0.00081 0.00145 0.00194 0.00056 149 4XY -0.00003 -0.00003 0.00062 -0.00072 0.00100 150 4XZ 0.00034 -0.00070 0.00230 0.00173 0.00120 151 4YZ 0.00047 -0.00061 0.00015 0.00124 -0.00023 152 18 H 1S 0.00022 -0.00253 0.01089 0.00930 -0.00200 153 2S 0.00112 -0.00554 0.01796 0.01861 -0.00258 154 19 H 1S -0.00212 0.02058 -0.00649 -0.02164 -0.00339 155 2S -0.00411 0.00494 -0.00200 -0.01156 -0.00512 156 20 H 1S -0.00079 -0.00432 0.00813 0.00940 0.00345 157 2S -0.00061 -0.01693 0.00617 0.02183 0.00528 158 21 H 1S -0.00007 0.00086 -0.01206 -0.00794 0.00186 159 2S -0.00431 0.00874 -0.01737 -0.01862 0.00056 160 22 O 1S -0.00041 0.00198 -0.00543 -0.00314 -0.00232 161 2S 0.00032 -0.00298 0.01365 0.00674 0.00621 162 2PX -0.00710 0.03014 -0.02271 -0.04386 -0.01548 163 2PY -0.00082 -0.00200 -0.01673 -0.00766 -0.00397 164 2PZ 0.00412 -0.02205 0.01045 0.03158 0.00332 165 3S 0.00387 -0.01805 0.01897 0.01954 0.00641 166 3PX -0.00824 0.03032 -0.01853 -0.03921 -0.01308 167 3PY -0.00031 -0.00157 -0.01304 -0.00583 -0.00226 168 3PZ 0.00421 -0.01983 0.01212 0.02958 0.00470 169 4XX -0.00069 0.00236 -0.00048 -0.00241 -0.00063 170 4YY -0.00012 0.00073 0.00033 -0.00017 0.00018 171 4ZZ -0.00009 -0.00096 -0.00012 0.00105 0.00029 172 4XY 0.00026 -0.00123 0.00098 0.00170 0.00061 173 4XZ 0.00002 -0.00035 0.00059 0.00058 0.00016 174 4YZ 0.00013 0.00002 0.00005 -0.00005 -0.00005 175 23 O 1S 0.00047 0.00087 0.00079 -0.00142 0.00426 176 2S -0.00153 0.00027 -0.00745 -0.00210 -0.00988 177 2PX 0.00184 -0.00689 -0.01266 -0.00817 0.01627 178 2PY 0.00070 -0.00067 -0.03844 -0.01577 0.00470 179 2PZ 0.00194 0.00447 0.04572 0.02054 -0.00925 180 3S -0.00181 -0.01430 0.00169 0.02453 -0.01277 181 3PX 0.00021 -0.00372 -0.01067 -0.01123 0.01247 182 3PY 0.00012 -0.00182 -0.02536 -0.00766 0.00282 183 3PZ 0.00177 0.00526 0.03138 0.01284 -0.00864 184 4XX -0.00019 0.00099 0.00069 -0.00147 0.00013 185 4YY -0.00003 0.00070 -0.00216 -0.00173 0.00044 186 4ZZ -0.00040 0.00115 -0.00044 -0.00103 -0.00032 187 4XY 0.00017 -0.00032 0.00004 -0.00020 0.00066 188 4XZ -0.00001 0.00009 -0.00101 -0.00032 -0.00012 189 4YZ -0.00016 0.00089 0.00163 -0.00030 -0.00037 26 27 28 29 30 26 3PZ 0.09328 27 4XX -0.00248 0.00092 28 4YY 0.00079 -0.00023 0.00114 29 4ZZ 0.00047 0.00022 -0.00019 0.00089 30 4XY -0.00330 -0.00019 0.00000 0.00032 0.00095 31 4XZ -0.00111 -0.00007 -0.00048 0.00026 0.00017 32 4YZ -0.00212 0.00003 -0.00014 0.00011 0.00042 33 4 H 1S -0.05972 -0.00192 -0.00407 0.00551 0.00785 34 2S -0.05144 0.00069 -0.00362 0.00647 0.00774 35 5 C 1S -0.00371 0.00249 -0.00695 0.00269 0.00016 36 2S 0.00940 -0.00552 0.01218 -0.00612 0.00021 37 2PX -0.04784 0.00010 0.00108 0.00091 0.01297 38 2PY 0.01855 0.00873 -0.00580 0.00925 -0.00146 39 2PZ 0.07391 -0.00017 0.00050 -0.00155 -0.00018 40 3S 0.02529 -0.00630 0.01205 -0.00574 -0.00225 41 3PX -0.03342 -0.00086 -0.00009 0.00114 0.00623 42 3PY 0.00058 0.00383 -0.00269 0.00259 -0.00083 43 3PZ 0.04480 0.00015 -0.00090 -0.00105 -0.00341 44 4XX 0.00015 0.00022 -0.00029 0.00036 0.00031 45 4YY -0.00090 -0.00029 -0.00016 -0.00028 -0.00013 46 4ZZ -0.00105 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 -0.00279 0.00081 0.00186 0.00080 -0.00512 51 2S 0.00226 0.00160 -0.00151 0.00192 -0.00529 52 7 C 1S -0.00511 0.00018 -0.00096 -0.00025 -0.00180 53 2S -0.00130 -0.00040 0.00214 0.00080 0.00376 54 2PX -0.00967 -0.00314 -0.00147 0.00075 0.00179 55 2PY -0.00107 0.00096 -0.00421 -0.00076 -0.00591 56 2PZ -0.02947 0.00187 -0.00324 -0.00147 -0.00819 57 3S -0.00387 0.00001 0.00135 0.00112 0.00563 58 3PX 0.00655 -0.00305 0.00079 0.00046 0.00236 59 3PY 0.00062 -0.00037 -0.00088 0.00001 -0.00276 60 3PZ -0.02248 0.00163 -0.00087 -0.00208 -0.00457 61 4XX 0.00387 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 -0.00069 -0.00029 -0.00127 -0.00082 -0.00167 68 2S -0.00210 -0.00007 -0.00118 -0.00192 -0.00249 69 9 C 1S 0.00805 -0.00046 0.00081 -0.00156 -0.00079 70 2S -0.01522 0.00036 -0.00158 0.00302 0.00173 71 2PX 0.02849 -0.00027 0.00138 -0.00377 -0.00102 72 2PY 0.00236 -0.00009 0.00124 -0.00210 -0.00250 73 2PZ -0.00730 -0.00133 0.00397 -0.00733 -0.00401 74 3S -0.03850 0.00276 -0.00435 0.00350 0.00172 75 3PX 0.01190 -0.00006 0.00070 -0.00170 -0.00039 76 3PY 0.00932 0.00007 -0.00008 -0.00119 -0.00209 77 3PZ -0.00484 -0.00042 0.00203 -0.00434 -0.00270 78 4XX 0.00260 -0.00019 0.00007 -0.00013 -0.00006 79 4YY -0.00033 -0.00015 0.00035 -0.00005 0.00000 80 4ZZ -0.00192 0.00036 -0.00033 0.00002 -0.00010 81 4XY -0.00037 -0.00004 0.00002 0.00015 0.00001 82 4XZ 0.00493 -0.00027 -0.00010 0.00019 0.00001 83 4YZ 0.00127 -0.00005 0.00011 0.00019 0.00008 84 10 H 1S -0.03018 0.00081 -0.00014 -0.00072 -0.00062 85 2S -0.02564 0.00164 -0.00013 -0.00169 -0.00141 86 11 H 1S 0.01867 -0.00089 0.00033 -0.00156 -0.00015 87 2S 0.03879 -0.00252 0.00077 -0.00124 -0.00046 88 12 C 1S 0.00343 0.00000 -0.00020 -0.00037 0.00004 89 2S -0.00989 0.00002 0.00036 0.00057 -0.00040 90 2PX 0.00098 0.00032 0.00065 -0.00085 -0.00037 91 2PY -0.00331 0.00082 -0.00190 0.00047 0.00034 92 2PZ 0.03397 -0.00066 0.00059 -0.00074 0.00159 93 3S -0.00435 -0.00151 0.00205 0.00193 0.00050 94 3PX -0.00002 0.00052 -0.00004 -0.00043 -0.00021 95 3PY -0.00540 0.00108 -0.00223 0.00055 0.00015 96 3PZ 0.01557 -0.00033 0.00057 -0.00069 0.00145 97 4XX 0.00115 0.00006 0.00000 -0.00005 -0.00006 98 4YY -0.00139 0.00004 -0.00008 0.00000 -0.00012 99 4ZZ 0.00033 -0.00006 0.00004 0.00005 0.00026 100 4XY -0.00081 -0.00002 0.00002 0.00008 0.00008 101 4XZ -0.00082 0.00009 0.00005 -0.00005 -0.00014 102 4YZ 0.00131 0.00003 -0.00008 0.00019 0.00027 103 13 H 1S 0.01533 -0.00054 -0.00031 0.00069 0.00159 104 2S 0.02316 -0.00055 -0.00064 0.00071 0.00181 105 14 H 1S 0.00038 0.00055 0.00013 -0.00008 0.00000 106 2S -0.00397 0.00080 0.00006 -0.00013 -0.00028 107 15 C 1S -0.00011 -0.00014 -0.00001 -0.00005 0.00008 108 2S 0.00178 0.00027 -0.00017 0.00000 -0.00016 109 2PX -0.00028 -0.00038 0.00030 0.00020 0.00013 110 2PY 0.00346 -0.00024 -0.00004 -0.00020 -0.00006 111 2PZ -0.00843 -0.00017 0.00010 0.00011 0.00029 112 3S 0.00352 0.00052 -0.00031 -0.00026 -0.00027 113 3PX -0.00239 0.00000 -0.00001 0.00012 0.00013 114 3PY -0.00243 0.00004 0.00003 -0.00003 -0.00009 115 3PZ -0.00791 -0.00057 0.00029 0.00067 0.00046 116 4XX -0.00015 -0.00011 0.00009 0.00013 0.00005 117 4YY 0.00015 0.00000 -0.00002 0.00000 -0.00001 118 4ZZ -0.00013 0.00010 -0.00006 -0.00011 -0.00004 119 4XY 0.00084 -0.00006 0.00004 0.00008 0.00006 120 4XZ -0.00039 -0.00001 0.00002 0.00001 0.00002 121 4YZ -0.00206 0.00009 -0.00003 -0.00004 -0.00007 122 16 C 1S -0.00354 -0.00071 0.00004 -0.00029 0.00017 123 2S 0.00661 0.00088 -0.00016 0.00024 -0.00053 124 2PX -0.02091 -0.00527 0.00263 0.00290 0.00297 125 2PY -0.01558 -0.00107 0.00085 0.00015 0.00044 126 2PZ 0.00057 0.00439 -0.00130 -0.00243 -0.00268 127 3S 0.02490 0.00169 -0.00170 0.00040 -0.00083 128 3PX -0.00564 -0.00394 0.00184 0.00224 0.00266 129 3PY -0.01187 -0.00084 -0.00011 0.00090 0.00134 130 3PZ 0.00643 0.00308 -0.00116 -0.00129 -0.00150 131 4XX -0.00385 0.00026 -0.00010 -0.00022 -0.00008 132 4YY 0.00119 -0.00010 0.00008 0.00001 0.00001 133 4ZZ 0.00131 -0.00016 0.00007 0.00017 0.00011 134 4XY -0.00242 0.00005 0.00004 -0.00002 -0.00003 135 4XZ 0.00098 -0.00017 0.00010 0.00012 0.00007 136 4YZ 0.00297 -0.00001 -0.00007 0.00000 0.00001 137 17 C 1S -0.00513 -0.00017 -0.00007 -0.00009 0.00015 138 2S 0.01321 0.00011 0.00011 0.00012 -0.00040 139 2PX -0.03844 -0.00104 0.00086 0.00078 0.00032 140 2PY 0.01328 0.00105 -0.00089 -0.00044 -0.00083 141 2PZ 0.03310 0.00011 -0.00024 -0.00055 0.00062 142 3S 0.02603 0.00024 0.00068 -0.00088 -0.00199 143 3PX -0.03146 0.00003 0.00029 0.00002 -0.00069 144 3PY 0.01794 0.00019 -0.00078 0.00009 -0.00034 145 3PZ 0.02776 -0.00002 -0.00031 -0.00039 -0.00057 146 4XX 0.00045 -0.00005 0.00003 -0.00002 0.00023 147 4YY -0.00027 0.00002 0.00000 -0.00001 -0.00009 148 4ZZ -0.00077 -0.00002 -0.00001 0.00004 -0.00008 149 4XY 0.00074 0.00027 -0.00012 -0.00015 -0.00017 150 4XZ 0.00001 0.00005 -0.00001 -0.00003 -0.00010 151 4YZ -0.00098 -0.00026 0.00010 0.00014 0.00022 152 18 H 1S -0.00085 -0.00050 0.00037 0.00047 0.00021 153 2S -0.00354 -0.00101 0.00070 0.00082 0.00047 154 19 H 1S 0.01689 -0.00102 0.00002 0.00110 0.00076 155 2S 0.00920 -0.00139 0.00026 0.00140 0.00166 156 20 H 1S -0.00179 0.00094 -0.00043 -0.00017 -0.00129 157 2S -0.01227 0.00117 -0.00052 -0.00024 -0.00125 158 21 H 1S -0.00143 0.00039 -0.00023 -0.00041 -0.00014 159 2S 0.00370 0.00096 -0.00051 -0.00114 -0.00053 160 22 O 1S 0.00043 0.00000 -0.00004 0.00000 -0.00015 161 2S 0.00084 0.00009 0.00004 -0.00011 0.00016 162 2PX 0.02318 0.00031 -0.00041 -0.00058 0.00003 163 2PY -0.01235 0.00001 0.00024 0.00028 0.00001 164 2PZ -0.02613 -0.00068 0.00034 0.00066 -0.00025 165 3S -0.00831 -0.00044 0.00028 0.00054 0.00178 166 3PX 0.02231 0.00021 -0.00031 -0.00046 -0.00025 167 3PY -0.00876 0.00012 0.00018 0.00004 -0.00020 168 3PZ -0.02175 -0.00053 0.00030 0.00051 -0.00043 169 4XX 0.00160 0.00002 -0.00002 -0.00001 -0.00007 170 4YY 0.00089 0.00002 -0.00002 -0.00004 -0.00007 171 4ZZ -0.00081 0.00007 -0.00002 -0.00003 -0.00009 172 4XY -0.00083 -0.00003 0.00003 0.00003 0.00002 173 4XZ -0.00001 0.00001 0.00000 0.00000 0.00001 174 4YZ 0.00032 -0.00003 0.00002 0.00000 0.00006 175 23 O 1S 0.00192 0.00007 -0.00006 -0.00013 0.00001 176 2S -0.00330 -0.00017 0.00022 0.00056 0.00003 177 2PX -0.00864 0.00236 -0.00167 -0.00253 -0.00170 178 2PY -0.01122 0.00047 0.00014 0.00020 -0.00006 179 2PZ 0.01854 -0.00184 0.00100 0.00209 0.00139 180 3S -0.01834 -0.00011 0.00019 0.00009 -0.00011 181 3PX -0.00387 0.00200 -0.00128 -0.00180 -0.00141 182 3PY -0.00921 0.00036 0.00012 0.00005 -0.00014 183 3PZ 0.01389 -0.00202 0.00108 0.00199 0.00138 184 4XX 0.00156 0.00013 -0.00005 -0.00002 -0.00009 185 4YY 0.00007 0.00000 0.00002 0.00003 0.00000 186 4ZZ 0.00067 -0.00012 0.00001 0.00007 0.00009 187 4XY -0.00002 0.00009 -0.00007 -0.00009 -0.00006 188 4XZ -0.00034 -0.00002 0.00001 0.00003 0.00001 189 4YZ 0.00151 -0.00002 0.00000 0.00006 0.00002 31 32 33 34 35 31 4XZ 0.00067 32 4YZ 0.00028 0.00117 33 4 H 1S 0.00827 0.01087 0.21693 34 2S 0.00608 0.01062 0.17899 0.17164 35 5 C 1S 0.00058 0.00018 0.01228 0.01464 2.05271 36 2S -0.00150 0.00010 -0.02562 -0.02568 -0.06213 37 2PX 0.00061 0.00005 0.01875 0.03388 0.00133 38 2PY 0.00312 0.00022 0.04294 0.08633 -0.00053 39 2PZ 0.00043 0.01358 0.01319 0.03937 -0.00083 40 3S -0.00359 -0.00428 -0.06039 -0.06761 -0.16067 41 3PX 0.00029 -0.00435 -0.00249 -0.00572 0.00664 42 3PY 0.00186 0.00192 0.01989 0.03824 -0.00378 43 3PZ 0.00022 0.00545 -0.00279 0.00226 0.00494 44 4XX 0.00000 -0.00020 0.00081 0.00160 -0.01431 45 4YY 0.00023 0.00009 0.00186 -0.00151 -0.01700 46 4ZZ 0.00005 -0.00003 0.00080 0.00192 -0.01612 47 4XY 0.00005 0.00050 0.00512 0.00529 0.00088 48 4XZ 0.00004 -0.00011 -0.00002 0.00049 -0.00455 49 4YZ 0.00011 0.00081 0.00716 0.00783 0.00203 50 6 H 1S -0.00002 -0.00716 -0.02222 -0.02568 -0.06016 51 2S 0.00049 -0.00783 -0.02568 -0.03291 -0.01303 52 7 C 1S -0.00008 -0.00116 -0.00753 -0.01234 0.01788 53 2S 0.00016 0.00224 0.01707 0.02410 -0.03384 54 2PX -0.00173 -0.01077 -0.03031 -0.06563 0.05515 55 2PY 0.00001 -0.00219 -0.01511 -0.03044 0.03905 56 2PZ -0.00049 0.00079 -0.01497 -0.02984 0.04364 57 3S 0.00036 0.00433 0.04153 0.04888 -0.00917 58 3PX -0.00133 -0.00703 -0.02563 -0.04372 0.01230 59 3PY -0.00020 -0.00146 -0.00659 -0.01573 0.00984 60 3PZ -0.00042 0.00175 -0.01358 -0.01523 0.00436 61 4XX -0.00001 0.00032 0.00034 0.00109 -0.00196 62 4YY -0.00009 -0.00012 -0.00257 -0.00387 0.00153 63 4ZZ -0.00001 -0.00047 0.00002 -0.00050 0.00017 64 4XY -0.00005 0.00023 -0.00085 -0.00037 -0.00334 65 4XZ 0.00004 0.00001 0.00030 0.00117 -0.00415 66 4YZ -0.00004 0.00003 -0.00058 -0.00017 -0.00299 67 8 H 1S -0.00027 -0.00090 -0.00941 -0.01833 0.01211 68 2S -0.00048 -0.00055 -0.02008 -0.02682 0.01361 69 9 C 1S -0.00073 -0.00027 -0.00710 -0.00909 -0.00267 70 2S 0.00157 0.00069 0.01561 0.02150 0.00479 71 2PX -0.00129 -0.00015 -0.01137 -0.02682 -0.00207 72 2PY -0.00116 0.00024 -0.01106 -0.01592 0.00390 73 2PZ -0.00607 -0.00074 -0.03375 -0.06650 -0.00787 74 3S 0.00278 0.00357 0.04177 0.05147 0.01324 75 3PX -0.00059 -0.00017 -0.00462 -0.01221 -0.00106 76 3PY -0.00026 -0.00024 -0.01304 -0.01570 0.00348 77 3PZ -0.00305 -0.00127 -0.02991 -0.04622 -0.00485 78 4XX -0.00013 -0.00012 -0.00119 -0.00276 -0.00029 79 4YY -0.00017 -0.00008 0.00007 -0.00017 -0.00010 80 4ZZ 0.00024 0.00004 -0.00017 0.00099 0.00024 81 4XY 0.00004 -0.00002 0.00039 0.00092 -0.00007 82 4XZ 0.00024 -0.00032 -0.00149 -0.00196 0.00019 83 4YZ 0.00012 -0.00005 0.00084 0.00199 -0.00020 84 10 H 1S -0.00133 0.00077 -0.00035 -0.00360 -0.00137 85 2S -0.00151 0.00146 -0.00121 -0.00328 -0.00228 86 11 H 1S -0.00073 -0.00083 -0.00882 -0.02287 -0.00059 87 2S -0.00081 -0.00265 -0.02135 -0.03822 -0.00092 88 12 C 1S 0.00009 0.00021 -0.00090 -0.00047 -0.00300 89 2S -0.00017 -0.00066 0.00147 -0.00004 0.00650 90 2PX -0.00006 0.00122 0.00009 0.00382 -0.00839 91 2PY 0.00073 -0.00083 -0.00103 -0.00097 0.00131 92 2PZ 0.00000 0.00019 -0.00298 0.00410 -0.01208 93 3S -0.00079 -0.00335 0.00354 -0.00168 0.00759 94 3PX 0.00014 0.00073 0.00130 0.00383 -0.00454 95 3PY 0.00102 -0.00066 0.00023 0.00067 0.00411 96 3PZ -0.00003 0.00060 -0.00070 0.00421 -0.00802 97 4XX 0.00003 0.00020 0.00044 0.00114 -0.00114 98 4YY 0.00001 0.00000 -0.00008 -0.00033 0.00068 99 4ZZ -0.00002 -0.00013 0.00018 -0.00007 -0.00030 100 4XY 0.00002 0.00000 0.00020 0.00069 -0.00024 101 4XZ 0.00004 0.00038 0.00062 0.00148 -0.00130 102 4YZ 0.00018 0.00006 0.00110 0.00253 -0.00054 103 13 H 1S 0.00023 -0.00150 -0.00063 -0.00022 0.00158 104 2S 0.00036 -0.00143 -0.00021 -0.00044 0.00142 105 14 H 1S 0.00035 0.00131 0.00342 0.01033 -0.00759 106 2S 0.00060 0.00304 0.00712 0.01814 -0.01116 107 15 C 1S 0.00009 -0.00010 0.00003 -0.00020 -0.00034 108 2S -0.00011 0.00026 0.00031 0.00145 0.00067 109 2PX 0.00023 -0.00037 -0.00016 -0.00178 -0.00090 110 2PY 0.00024 -0.00018 -0.00010 -0.00108 0.00109 111 2PZ 0.00014 -0.00024 0.00118 0.00027 0.00032 112 3S -0.00021 0.00048 0.00015 0.00175 0.00165 113 3PX 0.00011 -0.00014 0.00114 0.00061 0.00030 114 3PY 0.00008 0.00011 0.00068 0.00008 0.00028 115 3PZ 0.00021 -0.00057 0.00049 0.00033 -0.00027 116 4XX 0.00004 -0.00009 -0.00009 -0.00015 -0.00023 117 4YY -0.00002 -0.00002 -0.00008 -0.00005 0.00009 118 4ZZ -0.00001 0.00009 0.00028 0.00025 0.00007 119 4XY -0.00002 -0.00010 -0.00019 -0.00050 0.00002 120 4XZ 0.00000 -0.00001 -0.00003 -0.00001 -0.00003 121 4YZ -0.00001 0.00012 0.00017 0.00019 -0.00011 122 16 C 1S 0.00039 -0.00066 -0.00015 -0.00151 -0.00069 123 2S -0.00088 0.00094 -0.00040 0.00010 0.00058 124 2PX 0.00048 -0.00435 -0.00505 -0.01516 -0.00297 125 2PY 0.00018 -0.00114 -0.00069 -0.00607 0.00009 126 2PZ 0.00039 0.00363 0.00682 0.00957 0.00128 127 3S -0.00036 0.00243 0.00376 0.00975 0.00390 128 3PX 0.00043 -0.00313 -0.00141 -0.00671 -0.00129 129 3PY 0.00057 -0.00123 0.00192 -0.00049 0.00151 130 3PZ 0.00028 0.00358 0.01246 0.01872 0.00188 131 4XX 0.00007 0.00014 0.00035 0.00029 -0.00022 132 4YY -0.00004 -0.00004 -0.00008 -0.00018 -0.00006 133 4ZZ 0.00001 -0.00009 0.00003 0.00021 -0.00029 134 4XY 0.00000 0.00001 -0.00004 0.00046 -0.00007 135 4XZ -0.00003 -0.00009 0.00002 -0.00056 -0.00015 136 4YZ -0.00008 0.00002 -0.00023 -0.00024 0.00021 137 17 C 1S 0.00014 -0.00012 -0.00005 0.00058 -0.00178 138 2S -0.00022 0.00031 -0.00019 -0.00103 0.00265 139 2PX 0.00094 -0.00042 0.00044 0.00607 -0.00503 140 2PY 0.00027 0.00109 0.00075 0.00444 0.00170 141 2PZ -0.00048 -0.00030 -0.00028 -0.00384 0.00224 142 3S -0.00100 0.00083 -0.00200 -0.00662 0.00362 143 3PX 0.00051 0.00006 -0.00181 0.00104 -0.00660 144 3PY 0.00015 0.00064 0.00061 0.00090 0.00256 145 3PZ -0.00056 -0.00063 -0.00424 -0.00986 0.00154 146 4XX 0.00002 -0.00018 -0.00016 -0.00018 -0.00079 147 4YY -0.00003 0.00004 -0.00019 -0.00042 -0.00013 148 4ZZ 0.00004 0.00003 -0.00006 0.00012 -0.00029 149 4XY 0.00000 0.00028 0.00041 0.00102 -0.00016 150 4XZ 0.00003 0.00011 0.00004 0.00048 -0.00048 151 4YZ -0.00001 -0.00028 -0.00040 -0.00077 -0.00029 152 18 H 1S 0.00017 -0.00044 -0.00069 -0.00122 -0.00094 153 2S 0.00027 -0.00086 -0.00180 -0.00266 -0.00200 154 19 H 1S -0.00068 -0.00057 -0.00193 -0.00036 0.00040 155 2S -0.00025 -0.00089 0.00431 0.00495 0.00059 156 20 H 1S 0.00016 0.00121 0.00095 0.00361 0.00083 157 2S 0.00024 0.00070 -0.00010 0.00234 0.00005 158 21 H 1S -0.00006 0.00038 0.00108 0.00093 0.00063 159 2S -0.00017 0.00089 0.00129 0.00051 0.00066 160 22 O 1S -0.00004 0.00002 -0.00010 -0.00077 0.00025 161 2S 0.00009 0.00007 0.00005 0.00190 -0.00129 162 2PX -0.00051 -0.00033 -0.00034 -0.00462 0.00317 163 2PY -0.00026 -0.00006 -0.00008 -0.00423 -0.00082 164 2PZ 0.00007 -0.00020 -0.00141 -0.00298 -0.00062 165 3S 0.00022 -0.00067 0.00234 0.00493 0.00114 166 3PX -0.00043 -0.00026 -0.00114 -0.00489 0.00189 167 3PY -0.00024 0.00007 -0.00026 -0.00317 -0.00093 168 3PZ 0.00015 -0.00008 -0.00126 -0.00198 -0.00173 169 4XX -0.00002 0.00004 -0.00010 -0.00028 -0.00008 170 4YY 0.00000 0.00003 -0.00015 0.00000 -0.00033 171 4ZZ 0.00001 0.00008 0.00007 0.00022 -0.00035 172 4XY 0.00002 0.00001 0.00012 0.00030 -0.00003 173 4XZ 0.00001 0.00001 0.00005 0.00015 0.00017 174 4YZ 0.00000 -0.00005 -0.00001 -0.00001 0.00007 175 23 O 1S -0.00007 0.00018 0.00019 0.00148 0.00003 176 2S 0.00008 -0.00030 0.00028 -0.00269 0.00010 177 2PX -0.00035 0.00253 0.00315 0.00741 0.00146 178 2PY -0.00047 0.00051 -0.00017 -0.00120 -0.00082 179 2PZ 0.00009 -0.00235 -0.00405 -0.00151 -0.00083 180 3S 0.00016 -0.00123 -0.00398 -0.00954 -0.00062 181 3PX -0.00017 0.00239 0.00455 0.00835 0.00134 182 3PY -0.00034 0.00031 -0.00079 -0.00169 -0.00076 183 3PZ 0.00012 -0.00209 -0.00269 -0.00184 -0.00103 184 4XX 0.00000 0.00014 0.00028 0.00063 0.00009 185 4YY -0.00002 0.00005 0.00012 0.00018 0.00004 186 4ZZ 0.00001 -0.00008 0.00003 -0.00002 0.00015 187 4XY 0.00000 0.00010 0.00020 0.00051 0.00003 188 4XZ -0.00002 -0.00002 -0.00012 -0.00021 0.00002 189 4YZ 0.00001 -0.00002 0.00002 0.00026 0.00002 36 37 38 39 40 36 2S 0.32496 37 2PX 0.00226 0.36896 38 2PY -0.00162 -0.00011 0.41335 39 2PZ 0.00777 0.03332 0.00266 0.39023 40 3S 0.24765 -0.01951 -0.01122 -0.02947 0.25009 41 3PX -0.02275 0.18141 -0.01273 -0.07523 -0.00529 42 3PY 0.01621 -0.01321 0.13842 0.02578 -0.00772 43 3PZ -0.01459 -0.05969 0.00573 0.16792 -0.01273 44 4XX -0.00947 0.00801 0.00593 -0.00344 -0.00562 45 4YY -0.00308 -0.00428 -0.01307 -0.00040 -0.00311 46 4ZZ -0.00535 -0.00689 0.01026 -0.00257 -0.00246 47 4XY -0.00123 0.00498 0.00024 0.01075 -0.00261 48 4XZ 0.00944 -0.00068 0.00920 -0.00219 0.00814 49 4YZ -0.00342 0.00949 -0.00196 0.01031 -0.00706 50 6 H 1S 0.11224 -0.13263 0.13077 -0.18749 0.11509 51 2S 0.02496 -0.12150 0.11785 -0.18087 0.05423 52 7 C 1S -0.03602 -0.05991 -0.03620 -0.04301 0.01167 53 2S 0.06176 0.12166 0.07534 0.08349 0.01681 54 2PX -0.11749 0.00710 -0.13524 -0.24259 -0.04581 55 2PY -0.07545 -0.13785 -0.05072 -0.06403 -0.10481 56 2PZ -0.08981 -0.21175 -0.08011 -0.01515 -0.05016 57 3S 0.03347 0.13110 0.05000 0.09081 -0.02631 58 3PX -0.03508 0.04976 -0.06231 -0.12908 0.00784 59 3PY -0.02573 -0.05357 -0.00539 -0.02377 -0.01880 60 3PZ -0.01208 -0.09572 -0.03267 0.02876 -0.00661 61 4XX 0.00317 -0.01090 0.00515 0.00700 0.00431 62 4YY -0.00338 -0.00154 -0.01234 -0.00144 -0.00597 63 4ZZ -0.00118 0.00180 0.00099 -0.01328 0.00227 64 4XY 0.00665 0.00345 -0.00259 0.00806 0.00401 65 4XZ 0.00766 0.00321 0.00661 0.00046 0.00598 66 4YZ 0.00599 0.00806 -0.00166 0.00180 0.00437 67 8 H 1S -0.02454 -0.02455 -0.03575 -0.01201 -0.06200 68 2S -0.02472 -0.04780 -0.07142 -0.01046 -0.05922 69 9 C 1S 0.00503 0.00128 -0.00375 0.00577 0.01091 70 2S -0.00883 0.00214 0.00681 -0.01508 -0.02105 71 2PX 0.00444 -0.00674 -0.00763 0.00880 0.01312 72 2PY -0.00856 -0.02849 -0.01160 -0.00381 -0.01906 73 2PZ 0.01255 -0.01133 -0.02367 0.02037 0.07872 74 3S -0.02297 -0.02357 0.03018 -0.00944 -0.06109 75 3PX 0.00172 -0.00051 -0.00183 0.00166 0.00820 76 3PY -0.00737 -0.02761 -0.00891 0.00192 -0.01690 77 3PZ 0.00736 -0.00615 -0.02432 0.00453 0.04098 78 4XX 0.00034 -0.00037 0.00022 0.00077 0.00343 79 4YY 0.00024 0.00060 -0.00192 -0.00177 0.00111 80 4ZZ -0.00041 0.00010 0.00197 0.00059 -0.00283 81 4XY 0.00035 0.00023 0.00100 0.00059 0.00078 82 4XZ -0.00044 0.00102 0.00088 -0.00064 -0.00001 83 4YZ 0.00082 0.00128 0.00015 0.00008 -0.00127 84 10 H 1S 0.00184 -0.00285 0.00018 0.00657 0.02056 85 2S 0.00336 -0.01502 0.00379 0.01956 0.01847 86 11 H 1S 0.00017 0.00193 -0.00229 -0.00061 0.01949 87 2S -0.00024 0.00534 -0.00699 -0.00762 0.02803 88 12 C 1S 0.00562 0.00514 0.00155 0.01145 0.00523 89 2S -0.01505 -0.01443 -0.00592 -0.02805 -0.00898 90 2PX 0.02187 -0.00068 0.01087 0.03290 0.02770 91 2PY -0.00319 -0.00229 0.00421 -0.00689 0.00917 92 2PZ 0.03132 0.04903 0.00703 0.02307 0.00219 93 3S -0.01647 0.00175 0.01091 -0.07811 0.01674 94 3PX 0.00903 -0.00129 0.00744 0.01497 0.00631 95 3PY -0.00872 -0.00734 0.00451 -0.02096 -0.01091 96 3PZ 0.01863 0.04076 -0.00838 0.02261 -0.00610 97 4XX 0.00235 -0.00086 0.00219 0.00526 0.00156 98 4YY -0.00152 -0.00310 -0.00171 -0.00200 -0.00276 99 4ZZ 0.00016 0.00630 0.00095 -0.00133 0.00089 100 4XY 0.00073 0.00134 -0.00013 -0.00012 0.00124 101 4XZ 0.00292 -0.00157 0.00304 0.00928 0.00203 102 4YZ 0.00141 0.00384 0.00173 0.00056 -0.00073 103 13 H 1S -0.00347 0.02933 -0.00309 -0.02865 -0.01230 104 2S -0.00405 0.02930 0.00014 -0.02535 -0.01121 105 14 H 1S 0.01927 0.00233 0.01532 0.03244 0.01770 106 2S 0.02904 -0.00205 0.02105 0.07096 0.02303 107 15 C 1S 0.00050 0.00186 0.00057 -0.00048 0.00279 108 2S -0.00179 -0.00524 -0.00022 0.00168 -0.00557 109 2PX 0.00227 0.00497 0.00063 -0.00143 0.01185 110 2PY -0.00156 -0.00104 -0.00156 -0.00200 -0.00972 111 2PZ 0.00003 0.00697 -0.00135 -0.00801 -0.00517 112 3S -0.00332 -0.01102 -0.00436 0.00234 -0.00761 113 3PX -0.00055 0.00236 0.00139 -0.00356 0.00088 114 3PY -0.00057 -0.00142 -0.00024 0.00168 0.00171 115 3PZ 0.00123 0.01152 -0.00191 -0.00961 0.00308 116 4XX 0.00067 0.00161 0.00012 -0.00048 0.00205 117 4YY -0.00031 -0.00023 -0.00001 0.00004 0.00078 118 4ZZ -0.00029 -0.00126 0.00012 0.00031 -0.00281 119 4XY -0.00031 0.00120 -0.00028 -0.00135 0.00118 120 4XZ 0.00015 0.00061 -0.00025 -0.00047 -0.00047 121 4YZ 0.00011 -0.00132 0.00029 0.00148 0.00189 122 16 C 1S 0.00137 0.01089 -0.00262 -0.00738 0.00207 123 2S -0.00173 -0.02273 0.00401 0.01701 0.00404 124 2PX 0.00820 0.07781 -0.01577 -0.05629 0.03491 125 2PY 0.00136 0.01163 -0.00430 -0.01176 0.00095 126 2PZ -0.00391 -0.05907 0.01022 0.04328 -0.02183 127 3S -0.00677 -0.05255 0.01290 0.03693 -0.01672 128 3PX 0.00638 0.05986 -0.01205 -0.04004 0.01873 129 3PY -0.00182 0.02887 -0.00198 -0.02420 -0.00030 130 3PZ -0.00093 -0.04678 0.01428 0.04463 -0.02370 131 4XX 0.00029 0.00077 -0.00019 0.00000 -0.00099 132 4YY 0.00020 -0.00040 -0.00036 0.00041 -0.00034 133 4ZZ 0.00039 0.00168 -0.00028 -0.00081 0.00145 134 4XY 0.00073 0.00112 -0.00003 0.00003 -0.00062 135 4XZ 0.00017 0.00113 -0.00034 -0.00070 0.00230 136 4YZ -0.00063 -0.00166 0.00047 0.00061 -0.00015 137 17 C 1S 0.00269 0.00919 -0.00007 -0.00379 0.00660 138 2S -0.00452 -0.02100 -0.00007 0.01060 -0.01526 139 2PX 0.01912 0.03137 -0.00231 -0.00562 -0.01133 140 2PY -0.00504 -0.01828 0.00155 0.01159 -0.00914 141 2PZ -0.00609 -0.00582 0.00214 -0.00874 -0.00463 142 3S -0.01131 -0.05396 -0.00009 0.02764 -0.00267 143 3PX 0.01009 0.00585 -0.00333 0.00106 -0.00189 144 3PY -0.00680 -0.01974 -0.00114 0.01112 -0.00725 145 3PZ -0.01149 -0.02472 0.00222 -0.00967 0.00411 146 4XX 0.00083 0.00598 -0.00039 -0.00412 -0.00147 147 4YY -0.00023 -0.00212 -0.00021 0.00109 0.00113 148 4ZZ 0.00012 -0.00135 -0.00021 0.00082 0.00123 149 4XY 0.00026 -0.00434 0.00101 0.00386 -0.00143 150 4XZ 0.00093 -0.00196 0.00047 0.00187 -0.00108 151 4YZ 0.00044 0.00517 -0.00091 -0.00430 0.00187 152 18 H 1S 0.00273 0.00763 -0.00022 -0.00253 0.01089 153 2S 0.00547 0.01682 -0.00112 -0.00554 0.01796 154 19 H 1S -0.00107 0.00591 0.00079 -0.00432 0.00813 155 2S -0.00059 0.02536 0.00062 -0.01693 0.00617 156 20 H 1S -0.00296 -0.02683 0.00212 0.02058 -0.00649 157 2S -0.00132 -0.01968 0.00411 0.00494 -0.00200 158 21 H 1S -0.00138 -0.00488 0.00007 0.00086 -0.01206 159 2S -0.00226 -0.01326 0.00431 0.00874 -0.01737 160 22 O 1S -0.00140 -0.00322 -0.00047 0.00087 0.00079 161 2S 0.00318 0.00264 0.00153 0.00027 -0.00745 162 2PX -0.01246 -0.00852 -0.00184 -0.00689 -0.01266 163 2PY -0.00223 -0.00006 0.00070 0.00067 0.03844 164 2PZ 0.00105 0.00173 -0.00194 0.00447 0.04572 165 3S 0.00790 0.03874 0.00181 -0.01430 0.00169 166 3PX -0.01050 -0.01370 -0.00021 -0.00372 -0.01067 167 3PY -0.00179 -0.00431 0.00012 0.00182 0.02535 168 3PZ 0.00208 -0.00205 -0.00177 0.00526 0.03138 169 4XX -0.00055 -0.00230 0.00019 0.00099 0.00069 170 4YY -0.00005 -0.00142 0.00003 0.00070 -0.00216 171 4ZZ 0.00000 -0.00131 0.00040 0.00115 -0.00044 172 4XY 0.00064 0.00059 0.00017 0.00032 -0.00004 173 4XZ 0.00006 0.00018 0.00001 0.00009 -0.00101 174 4YZ 0.00021 0.00132 -0.00016 -0.00089 -0.00163 175 23 O 1S 0.00038 -0.00238 0.00041 0.00198 -0.00543 176 2S -0.00105 0.00425 -0.00032 -0.00298 0.01365 177 2PX -0.00392 -0.04303 0.00710 0.03015 -0.02271 178 2PY -0.00067 -0.00103 -0.00082 0.00201 0.01673 179 2PZ 0.00297 0.03259 -0.00411 -0.02205 0.01045 180 3S -0.00216 0.01710 -0.00387 -0.01805 0.01897 181 3PX -0.00261 -0.03879 0.00824 0.03032 -0.01853 182 3PY -0.00013 -0.00032 -0.00031 0.00157 0.01304 183 3PZ 0.00346 0.03012 -0.00421 -0.01983 0.01212 184 4XX -0.00010 -0.00275 0.00069 0.00236 -0.00048 185 4YY 0.00005 -0.00045 0.00012 0.00073 0.00033 186 4ZZ -0.00011 0.00128 0.00009 -0.00096 -0.00012 187 4XY -0.00009 -0.00141 0.00026 0.00123 -0.00098 188 4XZ -0.00004 0.00042 -0.00002 -0.00035 0.00059 189 4YZ -0.00009 0.00003 0.00013 -0.00002 -0.00005 41 42 43 44 45 41 3PX 0.12000 42 3PY -0.02131 0.06237 43 3PZ -0.06577 0.01395 0.09329 44 4XX 0.00526 -0.00006 -0.00248 0.00092 45 4YY -0.00157 -0.00297 0.00079 -0.00023 0.00114 46 4ZZ -0.00264 0.00301 0.00047 0.00022 -0.00019 47 4XY -0.00016 -0.00037 0.00330 0.00019 0.00000 48 4XZ -0.00040 0.00261 -0.00111 -0.00007 -0.00048 49 4YZ 0.00159 0.00072 0.00212 -0.00003 0.00014 50 6 H 1S -0.03241 0.03912 -0.05972 -0.00192 -0.00407 51 2S -0.01788 0.02558 -0.05144 0.00069 -0.00362 52 7 C 1S -0.00739 -0.00605 0.00475 -0.00160 0.00118 53 2S 0.03363 0.00949 0.00613 0.00278 -0.00344 54 2PX 0.07528 -0.09236 -0.09988 0.00836 0.00220 55 2PY -0.06145 0.00968 -0.00562 -0.00424 0.01331 56 2PZ -0.09000 -0.03205 0.03877 -0.00521 0.00246 57 3S 0.02878 0.00108 0.00198 0.00396 -0.00287 58 3PX 0.06574 -0.05178 -0.06093 0.00568 -0.00025 59 3PY -0.01760 0.00217 0.00261 -0.00159 0.00408 60 3PZ -0.05088 0.00023 0.03336 -0.00484 0.00198 61 4XX -0.00751 0.00330 0.00592 -0.00025 -0.00020 62 4YY -0.00072 -0.00312 -0.00082 -0.00024 0.00096 63 4ZZ 0.00471 -0.00133 -0.00632 0.00025 -0.00037 64 4XY -0.00042 0.00006 0.00233 -0.00028 0.00009 65 4XZ 0.00115 0.00283 -0.00064 -0.00010 -0.00031 66 4YZ 0.00323 0.00034 -0.00096 -0.00001 -0.00002 67 8 H 1S -0.01712 -0.00229 -0.00667 -0.00145 0.00806 68 2S -0.02896 -0.00593 -0.00120 -0.00308 0.00889 69 9 C 1S 0.00010 -0.00349 0.00343 0.00000 -0.00020 70 2S 0.00217 0.00597 -0.00989 0.00002 0.00036 71 2PX -0.00580 -0.01726 0.00098 0.00032 0.00065 72 2PY -0.01994 -0.00708 0.00331 -0.00082 0.00190 73 2PZ 0.00221 -0.02449 0.03397 -0.00066 0.00059 74 3S -0.01894 0.02946 -0.00435 -0.00151 0.00205 75 3PX -0.00075 -0.00912 -0.00002 0.00052 -0.00004 76 3PY -0.01748 -0.00055 0.00540 -0.00108 0.00223 77 3PZ 0.00211 -0.01699 0.01557 -0.00033 0.00057 78 4XX 0.00067 -0.00109 0.00115 0.00006 0.00000 79 4YY 0.00062 -0.00183 -0.00139 0.00004 -0.00008 80 4ZZ -0.00075 0.00254 0.00033 -0.00006 0.00004 81 4XY 0.00013 0.00123 0.00081 0.00002 -0.00002 82 4XZ 0.00164 -0.00060 -0.00082 0.00009 0.00005 83 4YZ -0.00001 0.00086 -0.00131 -0.00003 0.00008 84 10 H 1S 0.00050 0.00488 0.01533 -0.00054 -0.00031 85 2S -0.01192 0.00768 0.02316 -0.00055 -0.00064 86 11 H 1S 0.00705 -0.01408 0.00038 0.00055 0.00013 87 2S 0.01617 -0.02155 -0.00397 0.00080 0.00006 88 12 C 1S 0.00086 0.00403 0.00805 -0.00046 0.00081 89 2S 0.00033 -0.00849 -0.01522 0.00036 -0.00158 90 2PX -0.00835 0.02936 0.02849 -0.00027 0.00138 91 2PY 0.00778 0.00647 -0.00236 0.00009 -0.00124 92 2PZ 0.01027 0.03196 -0.00730 -0.00133 0.00397 93 3S 0.02532 -0.02143 -0.03850 0.00276 -0.00435 94 3PX -0.00640 0.01540 0.01190 -0.00006 0.00070 95 3PY 0.00283 0.00708 -0.00932 -0.00007 0.00008 96 3PZ 0.00785 0.01123 -0.00484 -0.00042 0.00203 97 4XX -0.00186 0.00296 0.00260 -0.00019 0.00007 98 4YY -0.00146 0.00003 -0.00033 -0.00015 0.00035 99 4ZZ 0.00367 -0.00189 -0.00192 0.00036 -0.00033 100 4XY 0.00085 0.00104 0.00037 0.00004 -0.00002 101 4XZ -0.00284 0.00235 0.00493 -0.00027 -0.00010 102 4YZ 0.00128 0.00183 -0.00127 0.00005 -0.00011 103 13 H 1S 0.01935 -0.00436 -0.03018 0.00081 -0.00014 104 2S 0.01789 -0.00456 -0.02564 0.00164 -0.00013 105 14 H 1S -0.00668 0.02873 0.01867 -0.00089 0.00033 106 2S -0.01668 0.03781 0.03879 -0.00252 0.00077 107 15 C 1S 0.00243 0.00033 -0.00011 -0.00014 -0.00001 108 2S -0.00495 -0.00172 0.00178 0.00027 -0.00017 109 2PX 0.00676 0.00378 -0.00028 -0.00038 0.00030 110 2PY -0.00404 -0.00215 -0.00346 0.00024 0.00004 111 2PZ 0.00460 -0.00088 -0.00843 -0.00017 0.00010 112 3S -0.00954 -0.00351 0.00352 0.00052 -0.00031 113 3PX 0.00233 0.00134 -0.00239 0.00000 -0.00001 114 3PY -0.00068 -0.00042 0.00243 -0.00004 -0.00003 115 3PZ 0.01175 -0.00035 -0.00791 -0.00057 0.00029 116 4XX 0.00194 0.00033 -0.00015 -0.00011 0.00009 117 4YY 0.00019 0.00022 0.00015 0.00000 -0.00002 118 4ZZ -0.00202 -0.00042 -0.00013 0.00010 -0.00006 119 4XY 0.00160 -0.00109 -0.00084 0.00006 -0.00004 120 4XZ 0.00030 -0.00028 -0.00039 -0.00001 0.00002 121 4YZ -0.00040 0.00074 0.00206 -0.00009 0.00003 122 16 C 1S 0.00807 -0.00240 -0.00513 -0.00017 -0.00007 123 2S -0.01433 0.00315 0.01321 0.00011 0.00011 124 2PX 0.07599 -0.02114 -0.03844 -0.00104 0.00086 125 2PY 0.01105 0.00159 -0.01328 -0.00105 0.00089 126 2PZ -0.05769 0.01045 0.03310 0.00011 -0.00024 127 3S -0.04058 0.01633 0.02603 0.00024 0.00068 128 3PX 0.05288 -0.01493 -0.03146 0.00003 0.00029 129 3PY 0.02555 0.00055 -0.01794 -0.00019 0.00078 130 3PZ -0.04985 0.01446 0.02776 -0.00002 -0.00031 131 4XX -0.00035 0.00038 0.00045 -0.00005 0.00003 132 4YY -0.00066 -0.00015 -0.00027 0.00002 0.00000 133 4ZZ 0.00194 -0.00056 -0.00077 -0.00002 -0.00001 134 4XY 0.00072 0.00100 -0.00074 -0.00027 0.00012 135 4XZ 0.00173 -0.00120 0.00001 0.00005 -0.00001 136 4YZ -0.00124 -0.00023 0.00098 0.00026 -0.00010 137 17 C 1S 0.00950 0.00149 -0.00354 -0.00071 0.00004 138 2S -0.02241 -0.00030 0.00661 0.00088 -0.00016 139 2PX 0.02166 0.01372 -0.02091 -0.00527 0.00263 140 2PY -0.01859 -0.00229 0.01558 0.00107 -0.00085 141 2PZ -0.01003 -0.00721 0.00057 0.00439 -0.00130 142 3S -0.04286 -0.01053 0.02490 0.00169 -0.00169 143 3PX 0.00789 0.00921 -0.00564 -0.00394 0.00184 144 3PY -0.01495 -0.00064 0.01187 0.00084 0.00011 145 3PZ -0.01273 -0.00996 0.00643 0.00308 -0.00116 146 4XX 0.00315 -0.00123 -0.00385 0.00026 -0.00010 147 4YY -0.00075 0.00027 0.00119 -0.00010 0.00008 148 4ZZ -0.00017 0.00052 0.00131 -0.00016 0.00007 149 4XY -0.00423 0.00158 0.00242 -0.00005 -0.00004 150 4XZ -0.00206 0.00124 0.00098 -0.00017 0.00010 151 4YZ 0.00491 -0.00049 -0.00297 0.00001 0.00007 152 18 H 1S 0.00930 0.00200 -0.00085 -0.00050 0.00037 153 2S 0.01861 0.00258 -0.00354 -0.00101 0.00070 154 19 H 1S 0.00940 -0.00345 -0.00179 0.00094 -0.00043 155 2S 0.02183 -0.00528 -0.01227 0.00117 -0.00052 156 20 H 1S -0.02164 0.00339 0.01689 -0.00102 0.00002 157 2S -0.01156 0.00512 0.00920 -0.00139 0.00026 158 21 H 1S -0.00794 -0.00186 -0.00143 0.00039 -0.00023 159 2S -0.01862 -0.00056 0.00370 0.00096 -0.00051 160 22 O 1S -0.00142 -0.00426 0.00192 0.00007 -0.00006 161 2S -0.00210 0.00988 -0.00330 -0.00017 0.00022 162 2PX -0.00817 -0.01627 -0.00864 0.00236 -0.00167 163 2PY 0.01577 0.00470 0.01122 -0.00047 -0.00014 164 2PZ 0.02054 0.00925 0.01854 -0.00184 0.00100 165 3S 0.02453 0.01277 -0.01834 -0.00011 0.00019 166 3PX -0.01123 -0.01247 -0.00387 0.00200 -0.00128 167 3PY 0.00766 0.00282 0.00921 -0.00036 -0.00012 168 3PZ 0.01284 0.00864 0.01390 -0.00202 0.00108 169 4XX -0.00147 -0.00013 0.00156 0.00013 -0.00005 170 4YY -0.00173 -0.00044 0.00007 0.00000 0.00002 171 4ZZ -0.00103 0.00032 0.00067 -0.00012 0.00001 172 4XY 0.00020 0.00066 0.00002 -0.00009 0.00007 173 4XZ -0.00032 0.00012 -0.00034 -0.00002 0.00001 174 4YZ 0.00030 -0.00037 -0.00151 0.00002 0.00000 175 23 O 1S -0.00314 0.00232 0.00044 0.00000 -0.00004 176 2S 0.00674 -0.00621 0.00084 0.00009 0.00004 177 2PX -0.04386 0.01548 0.02318 0.00031 -0.00041 178 2PY 0.00766 -0.00397 0.01235 -0.00001 -0.00024 179 2PZ 0.03158 -0.00332 -0.02613 -0.00068 0.00034 180 3S 0.01954 -0.00641 -0.00831 -0.00044 0.00028 181 3PX -0.03921 0.01308 0.02231 0.00021 -0.00031 182 3PY 0.00583 -0.00226 0.00876 -0.00012 -0.00018 183 3PZ 0.02958 -0.00470 -0.02175 -0.00053 0.00030 184 4XX -0.00241 0.00063 0.00160 0.00002 -0.00002 185 4YY -0.00017 -0.00018 0.00089 0.00002 -0.00002 186 4ZZ 0.00105 -0.00029 -0.00081 0.00007 -0.00002 187 4XY -0.00170 0.00061 0.00083 0.00003 -0.00003 188 4XZ 0.00058 -0.00016 -0.00001 0.00001 0.00000 189 4YZ 0.00005 -0.00005 -0.00032 0.00003 -0.00002 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 0.00550 -0.00785 0.00827 -0.01087 0.21693 51 2S 0.00647 -0.00774 0.00608 -0.01062 0.17899 52 7 C 1S -0.00024 -0.00373 -0.00330 -0.00332 0.01338 53 2S 0.00008 0.00671 0.00637 0.00626 -0.02791 54 2PX -0.00219 -0.00235 -0.00296 -0.00857 0.03270 55 2PY -0.00190 0.00163 -0.00724 0.00162 0.00421 56 2PZ 0.01017 -0.00838 0.00074 -0.00096 0.03215 57 3S -0.00161 0.00854 0.00402 0.00762 -0.05772 58 3PX -0.00269 0.00001 -0.00054 -0.00548 0.01770 59 3PY 0.00056 0.00027 -0.00162 0.00013 0.01041 60 3PZ 0.00448 -0.00454 0.00042 0.00162 0.00730 61 4XX 0.00012 -0.00005 0.00004 -0.00034 0.00307 62 4YY -0.00047 0.00024 -0.00056 0.00029 -0.00535 63 4ZZ 0.00030 -0.00056 0.00018 -0.00043 0.00632 64 4XY -0.00028 0.00027 0.00003 0.00026 -0.00350 65 4XZ 0.00010 -0.00010 0.00045 0.00003 0.00387 66 4YZ -0.00044 0.00010 -0.00005 0.00013 -0.00211 67 8 H 1S -0.00273 0.00411 -0.00313 0.00349 -0.02290 68 2S -0.00329 0.00215 -0.00474 0.00262 -0.02758 69 9 C 1S -0.00037 -0.00004 0.00009 -0.00021 -0.00090 70 2S 0.00057 0.00040 -0.00017 0.00066 0.00147 71 2PX -0.00085 0.00037 -0.00006 -0.00122 0.00009 72 2PY -0.00047 0.00034 -0.00073 -0.00083 0.00103 73 2PZ -0.00074 -0.00159 0.00000 -0.00019 -0.00298 74 3S 0.00193 -0.00050 -0.00079 0.00335 0.00354 75 3PX -0.00043 0.00021 0.00014 -0.00073 0.00130 76 3PY -0.00055 0.00015 -0.00102 -0.00066 -0.00023 77 3PZ -0.00069 -0.00145 -0.00003 -0.00060 -0.00070 78 4XX -0.00005 0.00006 0.00003 -0.00020 0.00044 79 4YY 0.00000 0.00012 0.00001 0.00000 -0.00008 80 4ZZ 0.00005 -0.00026 -0.00002 0.00013 0.00018 81 4XY -0.00008 0.00008 -0.00002 0.00000 -0.00020 82 4XZ -0.00005 0.00014 0.00004 -0.00038 0.00062 83 4YZ -0.00019 0.00027 -0.00018 0.00006 -0.00110 84 10 H 1S 0.00069 -0.00159 0.00023 0.00150 -0.00063 85 2S 0.00071 -0.00181 0.00036 0.00143 -0.00021 86 11 H 1S -0.00008 0.00000 0.00035 -0.00131 0.00342 87 2S -0.00013 0.00028 0.00060 -0.00304 0.00712 88 12 C 1S -0.00156 0.00079 -0.00073 0.00027 -0.00710 89 2S 0.00302 -0.00173 0.00157 -0.00069 0.01561 90 2PX -0.00377 0.00102 -0.00129 0.00015 -0.01137 91 2PY 0.00210 -0.00250 0.00116 0.00024 0.01106 92 2PZ -0.00733 0.00401 -0.00607 0.00074 -0.03375 93 3S 0.00350 -0.00172 0.00278 -0.00357 0.04177 94 3PX -0.00170 0.00039 -0.00059 0.00017 -0.00462 95 3PY 0.00119 -0.00209 0.00026 -0.00024 0.01304 96 3PZ -0.00434 0.00270 -0.00305 0.00127 -0.02991 97 4XX -0.00013 0.00006 -0.00013 0.00012 -0.00119 98 4YY -0.00004 0.00000 -0.00017 0.00008 0.00007 99 4ZZ 0.00002 0.00010 0.00024 -0.00004 -0.00017 100 4XY -0.00015 0.00001 -0.00004 -0.00002 -0.00039 101 4XZ 0.00019 -0.00001 0.00024 0.00032 -0.00149 102 4YZ -0.00019 0.00008 -0.00013 -0.00005 -0.00084 103 13 H 1S -0.00072 0.00062 -0.00133 -0.00077 -0.00035 104 2S -0.00169 0.00141 -0.00151 -0.00146 -0.00121 105 14 H 1S -0.00156 0.00015 -0.00073 0.00083 -0.00882 106 2S -0.00124 0.00046 -0.00081 0.00265 -0.02135 107 15 C 1S -0.00005 -0.00008 0.00009 0.00010 0.00003 108 2S 0.00000 0.00016 -0.00011 -0.00026 0.00031 109 2PX 0.00020 -0.00013 0.00023 0.00037 -0.00016 110 2PY 0.00020 -0.00006 -0.00024 -0.00018 0.00010 111 2PZ 0.00011 -0.00029 0.00014 0.00024 0.00118 112 3S -0.00026 0.00027 -0.00021 -0.00048 0.00015 113 3PX 0.00012 -0.00013 0.00011 0.00014 0.00114 114 3PY 0.00003 -0.00009 -0.00008 0.00011 -0.00068 115 3PZ 0.00067 -0.00046 0.00021 0.00057 0.00049 116 4XX 0.00013 -0.00005 0.00004 0.00009 -0.00009 117 4YY 0.00000 0.00001 -0.00002 0.00002 -0.00008 118 4ZZ -0.00011 0.00004 -0.00001 -0.00009 0.00028 119 4XY -0.00008 0.00006 0.00002 -0.00010 0.00019 120 4XZ 0.00001 -0.00002 0.00000 0.00001 -0.00003 121 4YZ 0.00004 -0.00007 0.00001 0.00012 -0.00017 122 16 C 1S -0.00009 -0.00015 0.00014 0.00012 -0.00005 123 2S 0.00012 0.00040 -0.00022 -0.00031 -0.00019 124 2PX 0.00078 -0.00032 0.00094 0.00042 0.00044 125 2PY 0.00044 -0.00083 -0.00027 0.00109 -0.00075 126 2PZ -0.00055 -0.00062 -0.00048 0.00030 -0.00028 127 3S -0.00088 0.00199 -0.00100 -0.00083 -0.00200 128 3PX 0.00002 0.00069 0.00051 -0.00006 -0.00181 129 3PY -0.00009 -0.00034 -0.00015 0.00064 -0.00061 130 3PZ -0.00039 0.00057 -0.00056 0.00063 -0.00424 131 4XX -0.00002 -0.00023 0.00002 0.00018 -0.00016 132 4YY -0.00001 0.00009 -0.00003 -0.00004 -0.00019 133 4ZZ 0.00004 0.00008 0.00004 -0.00003 -0.00006 134 4XY 0.00015 -0.00017 0.00000 0.00028 -0.00041 135 4XZ -0.00003 0.00010 0.00003 -0.00011 0.00004 136 4YZ -0.00014 0.00022 0.00001 -0.00028 0.00040 137 17 C 1S -0.00029 -0.00017 0.00039 0.00066 -0.00015 138 2S 0.00024 0.00053 -0.00088 -0.00094 -0.00040 139 2PX 0.00290 -0.00297 0.00048 0.00435 -0.00505 140 2PY -0.00015 0.00044 -0.00018 -0.00114 0.00069 141 2PZ -0.00243 0.00268 0.00039 -0.00363 0.00682 142 3S 0.00040 0.00083 -0.00036 -0.00243 0.00376 143 3PX 0.00224 -0.00266 0.00043 0.00313 -0.00141 144 3PY -0.00090 0.00134 -0.00057 -0.00123 -0.00192 145 3PZ -0.00129 0.00150 0.00028 -0.00358 0.01246 146 4XX -0.00022 0.00008 0.00007 -0.00014 0.00035 147 4YY 0.00001 -0.00001 -0.00004 0.00004 -0.00008 148 4ZZ 0.00017 -0.00011 0.00001 0.00009 0.00003 149 4XY 0.00002 -0.00003 0.00000 0.00001 0.00004 150 4XZ 0.00012 -0.00007 -0.00003 0.00009 0.00002 151 4YZ 0.00000 0.00001 0.00008 0.00002 0.00023 152 18 H 1S 0.00047 -0.00021 0.00017 0.00044 -0.00069 153 2S 0.00082 -0.00047 0.00027 0.00086 -0.00180 154 19 H 1S -0.00017 0.00129 0.00016 -0.00121 0.00095 155 2S -0.00024 0.00125 0.00024 -0.00070 -0.00010 156 20 H 1S 0.00110 -0.00076 -0.00068 0.00057 -0.00193 157 2S 0.00140 -0.00166 -0.00025 0.00089 0.00431 158 21 H 1S -0.00041 0.00014 -0.00006 -0.00038 0.00108 159 2S -0.00114 0.00053 -0.00017 -0.00089 0.00129 160 22 O 1S -0.00013 -0.00001 -0.00007 -0.00018 0.00019 161 2S 0.00056 -0.00003 0.00008 0.00030 0.00028 162 2PX -0.00254 0.00170 -0.00035 -0.00253 0.00315 163 2PY -0.00020 -0.00006 0.00047 0.00051 0.00017 164 2PZ 0.00209 -0.00139 0.00009 0.00235 -0.00405 165 3S 0.00009 0.00011 0.00016 0.00123 -0.00398 166 3PX -0.00180 0.00141 -0.00017 -0.00239 0.00455 167 3PY -0.00005 -0.00014 0.00034 0.00031 0.00079 168 3PZ 0.00199 -0.00138 0.00012 0.00209 -0.00269 169 4XX -0.00002 0.00009 0.00000 -0.00014 0.00028 170 4YY 0.00003 0.00000 -0.00002 -0.00005 0.00012 171 4ZZ 0.00007 -0.00009 0.00001 0.00008 0.00003 172 4XY 0.00009 -0.00006 0.00000 0.00010 -0.00020 173 4XZ 0.00003 -0.00001 -0.00002 0.00002 -0.00012 174 4YZ -0.00006 0.00002 -0.00001 -0.00002 -0.00002 175 23 O 1S 0.00000 0.00015 -0.00004 -0.00002 -0.00010 176 2S -0.00011 -0.00016 0.00009 -0.00007 0.00005 177 2PX -0.00058 -0.00003 -0.00051 0.00033 -0.00034 178 2PY -0.00028 0.00001 0.00026 -0.00006 0.00008 179 2PZ 0.00066 0.00025 0.00007 0.00020 -0.00141 180 3S 0.00054 -0.00178 0.00022 0.00067 0.00234 181 3PX -0.00046 0.00025 -0.00043 0.00026 -0.00114 182 3PY -0.00004 -0.00020 0.00024 0.00007 0.00026 183 3PZ 0.00051 0.00043 0.00015 0.00008 -0.00126 184 4XX -0.00001 0.00007 -0.00002 -0.00004 -0.00010 185 4YY -0.00004 0.00007 0.00000 -0.00003 -0.00015 186 4ZZ -0.00003 0.00009 0.00001 -0.00008 0.00007 187 4XY -0.00003 0.00002 -0.00002 0.00001 -0.00012 188 4XZ 0.00000 -0.00001 0.00001 -0.00001 0.00005 189 4YZ 0.00000 0.00006 0.00000 -0.00005 0.00001 51 52 53 54 55 51 2S 0.17164 52 7 C 1S 0.01887 2.05499 53 2S -0.03229 -0.06133 0.32633 54 2PX 0.07741 0.00315 -0.00483 0.35439 55 2PY -0.00142 -0.00191 -0.00376 0.02302 0.41151 56 2PZ 0.06794 0.00214 0.00093 0.04001 -0.00391 57 3S -0.05898 -0.19781 0.29069 0.01224 0.00350 58 3PX 0.03768 -0.00758 0.01604 0.19638 -0.01982 59 3PY 0.01146 0.00758 0.00820 0.00467 0.13002 60 3PZ 0.01283 0.00297 -0.00462 -0.04853 0.01429 61 4XX 0.00157 -0.01132 -0.01296 -0.00889 -0.00494 62 4YY -0.00515 -0.01838 0.00158 0.00429 0.02195 63 4ZZ 0.00695 -0.01398 -0.00730 0.00781 -0.01079 64 4XY -0.00520 -0.00161 0.00345 -0.00762 0.00005 65 4XZ 0.00176 -0.00249 0.00560 -0.00453 -0.00528 66 4YZ -0.00393 0.00081 -0.00153 -0.00335 -0.00229 67 8 H 1S -0.02724 -0.05969 0.11295 0.02941 0.26416 68 2S -0.03410 -0.01311 0.02597 0.00927 0.24494 69 9 C 1S -0.00047 -0.00202 0.00420 0.00310 -0.00914 70 2S -0.00004 0.00459 -0.00918 -0.00431 0.01813 71 2PX 0.00382 -0.00180 0.00337 0.00565 -0.00361 72 2PY 0.00097 0.01024 -0.02612 -0.00236 0.03528 73 2PZ 0.00410 -0.00336 0.01374 0.00369 -0.00754 74 3S -0.00168 -0.00082 -0.01381 -0.04769 0.07650 75 3PX 0.00383 0.00044 0.00408 0.00897 -0.00860 76 3PY -0.00067 0.00685 -0.01928 -0.00922 0.05188 77 3PZ 0.00421 0.00016 0.00716 0.01326 -0.00332 78 4XX 0.00114 -0.00043 0.00105 0.00160 -0.00085 79 4YY -0.00033 -0.00057 0.00088 0.00257 -0.00192 80 4ZZ -0.00007 0.00018 -0.00091 -0.00295 0.00150 81 4XY -0.00069 0.00034 -0.00060 0.00054 0.00070 82 4XZ 0.00148 -0.00007 0.00013 0.00227 -0.00068 83 4YZ -0.00253 0.00151 -0.00341 -0.00257 0.00453 84 10 H 1S -0.00022 -0.00194 0.00810 -0.00892 -0.00399 85 2S -0.00044 -0.00257 0.00829 -0.01197 -0.01247 86 11 H 1S 0.01033 -0.00421 0.01109 0.01223 -0.01109 87 2S 0.01814 -0.00628 0.01443 0.02776 -0.02015 88 12 C 1S -0.00909 0.01252 -0.02297 -0.02143 0.02956 89 2S 0.02150 -0.02336 0.03914 0.04299 -0.05547 90 2PX -0.02682 0.01708 -0.03374 0.00050 0.02749 91 2PY 0.01593 -0.02349 0.04867 0.02057 -0.03155 92 2PZ -0.06649 0.06432 -0.13740 -0.10108 0.12206 93 3S 0.05147 0.00258 0.02396 0.09360 -0.11181 94 3PX -0.01221 0.00271 -0.01329 -0.00003 0.01603 95 3PY 0.01570 -0.00571 0.01147 0.01358 0.00261 96 3PZ -0.04622 0.01309 -0.04403 -0.04351 0.05774 97 4XX -0.00276 0.00197 -0.00450 -0.00736 0.00167 98 4YY -0.00017 0.00081 -0.00222 -0.00072 0.00983 99 4ZZ 0.00099 -0.00456 0.00848 0.00573 -0.00739 100 4XY -0.00092 0.00115 -0.00204 0.00143 -0.00103 101 4XZ -0.00196 -0.00264 0.00524 -0.00785 -0.00344 102 4YZ -0.00199 0.00410 -0.00767 -0.00393 -0.00341 103 13 H 1S -0.00360 0.00810 -0.02346 -0.00302 0.00514 104 2S -0.00328 0.01254 -0.02988 0.00775 0.01031 105 14 H 1S -0.02287 0.00809 -0.01963 -0.02500 0.00184 106 2S -0.03822 0.01421 -0.02688 -0.08200 0.01218 107 15 C 1S -0.00020 0.00031 0.00016 -0.00230 0.00028 108 2S 0.00145 -0.00014 0.00012 0.00528 -0.00125 109 2PX -0.00178 0.00106 -0.00104 -0.00789 0.00129 110 2PY 0.00108 -0.00028 0.00035 0.00361 0.00069 111 2PZ 0.00027 -0.00089 0.00172 -0.00116 0.00103 112 3S 0.00175 -0.00167 -0.00067 0.01412 -0.00313 113 3PX 0.00061 0.00070 0.00067 -0.00054 -0.00011 114 3PY -0.00008 0.00010 -0.00080 -0.00121 -0.00034 115 3PZ 0.00033 -0.00012 0.00145 -0.01062 0.00170 116 4XX -0.00015 0.00047 -0.00028 -0.00260 0.00032 117 4YY -0.00005 0.00012 -0.00014 -0.00035 0.00024 118 4ZZ 0.00025 -0.00034 0.00032 0.00261 -0.00051 119 4XY 0.00050 -0.00036 0.00075 0.00234 -0.00068 120 4XZ -0.00001 -0.00011 0.00015 0.00004 0.00017 121 4YZ -0.00019 0.00050 -0.00078 -0.00242 0.00047 122 16 C 1S 0.00058 -0.00096 0.00324 0.00345 -0.00441 123 2S -0.00103 0.00309 -0.00397 -0.00801 0.00650 124 2PX 0.00607 -0.00602 0.01970 0.00550 -0.00668 125 2PY -0.00444 0.00166 -0.00256 -0.02186 0.01611 126 2PZ -0.00384 0.00542 -0.01608 -0.01141 0.00646 127 3S -0.00662 -0.00390 -0.01547 -0.01235 0.04106 128 3PX 0.00104 -0.00525 0.01582 0.01447 -0.00809 129 3PY -0.00090 -0.00344 0.00096 -0.00299 0.01500 130 3PZ -0.00986 0.00095 -0.01385 -0.02188 0.00944 131 4XX -0.00018 -0.00015 0.00009 -0.00100 -0.00028 132 4YY -0.00042 0.00008 -0.00002 0.00029 0.00010 133 4ZZ 0.00012 -0.00011 0.00080 0.00016 -0.00085 134 4XY -0.00102 0.00037 -0.00017 -0.00560 0.00230 135 4XZ 0.00048 -0.00016 0.00052 0.00162 -0.00076 136 4YZ 0.00077 -0.00043 0.00030 0.00505 -0.00154 137 17 C 1S -0.00151 -0.00195 0.00260 -0.00843 0.00428 138 2S 0.00010 0.00085 -0.01172 0.01025 -0.00287 139 2PX -0.01516 0.00438 -0.00253 -0.10007 0.03473 140 2PY 0.00607 0.00057 -0.00518 0.02519 -0.01767 141 2PZ 0.00957 -0.00771 0.01090 0.08812 -0.02312 142 3S 0.00975 0.01939 -0.00898 0.03369 -0.03756 143 3PX -0.00671 -0.00116 0.00241 -0.06898 0.02648 144 3PY 0.00048 -0.00042 -0.00593 0.01876 0.00967 145 3PZ 0.01872 0.00289 0.00279 0.07191 -0.01844 146 4XX 0.00029 -0.00166 0.00291 0.00639 -0.00236 147 4YY -0.00018 -0.00015 -0.00072 -0.00200 0.00233 148 4ZZ 0.00021 0.00005 -0.00093 -0.00300 0.00031 149 4XY -0.00046 0.00065 -0.00175 -0.00232 -0.00081 150 4XZ -0.00056 0.00087 -0.00215 -0.00444 0.00155 151 4YZ 0.00024 -0.00069 0.00189 0.00161 0.00050 152 18 H 1S -0.00122 0.00142 -0.00087 -0.01076 0.00153 153 2S -0.00266 0.00191 -0.00083 -0.02156 0.00370 154 19 H 1S 0.00361 -0.00217 0.00570 0.01886 -0.00820 155 2S 0.00234 -0.00428 0.00822 0.02244 -0.01240 156 20 H 1S -0.00036 0.00600 -0.01492 -0.02504 0.00206 157 2S 0.00495 0.00674 -0.01323 -0.02736 0.00707 158 21 H 1S 0.00093 -0.00145 0.00102 0.00985 -0.00186 159 2S 0.00051 -0.00191 0.00050 0.01930 -0.00327 160 22 O 1S 0.00148 -0.00006 0.00124 0.00404 -0.00016 161 2S -0.00269 0.00144 -0.00357 -0.00922 0.00011 162 2PX 0.00741 -0.00871 0.01381 0.06018 -0.01144 163 2PY 0.00120 0.00185 -0.00158 -0.00860 -0.00100 164 2PZ -0.00151 0.00815 -0.00917 -0.05232 0.01312 165 3S -0.00954 -0.00560 -0.00092 -0.01760 0.00057 166 3PX 0.00835 -0.00393 0.01001 0.05169 -0.01067 167 3PY 0.00169 0.00167 -0.00082 -0.00514 -0.00137 168 3PZ -0.00184 0.00725 -0.00760 -0.04912 0.01409 169 4XX 0.00063 0.00024 -0.00022 0.00249 -0.00102 170 4YY 0.00018 0.00041 0.00028 0.00014 0.00053 171 4ZZ -0.00002 0.00077 -0.00013 -0.00221 0.00025 172 4XY -0.00051 0.00030 -0.00069 -0.00263 0.00048 173 4XZ -0.00021 0.00009 -0.00043 -0.00078 0.00004 174 4YZ -0.00026 -0.00035 0.00059 0.00104 0.00015 175 23 O 1S -0.00077 -0.00022 -0.00083 -0.00029 0.00057 176 2S 0.00190 -0.00032 0.00189 0.00260 -0.00159 177 2PX -0.00462 0.00196 -0.01053 -0.00511 0.00636 178 2PY 0.00423 -0.00012 0.00069 0.00505 -0.00592 179 2PZ -0.00298 -0.00038 0.00618 -0.01085 0.00505 180 3S 0.00493 0.00417 0.00260 -0.00468 -0.00354 181 3PX -0.00489 0.00087 -0.00950 -0.00800 0.00668 182 3PY 0.00317 0.00084 0.00063 0.00068 -0.00534 183 3PZ -0.00198 -0.00100 0.00695 -0.00652 0.00313 184 4XX -0.00028 0.00013 -0.00070 -0.00054 0.00032 185 4YY 0.00000 -0.00035 0.00001 0.00039 -0.00001 186 4ZZ 0.00022 -0.00059 0.00049 0.00161 -0.00047 187 4XY -0.00030 -0.00006 -0.00032 0.00006 -0.00005 188 4XZ 0.00015 -0.00001 0.00012 0.00024 -0.00009 189 4YZ 0.00001 0.00000 0.00005 0.00046 -0.00022 56 57 58 59 60 56 2PZ 0.38400 57 3S -0.02807 0.30061 58 3PX -0.03217 0.02129 0.12488 59 3PY 0.01758 -0.00563 -0.00624 0.05321 60 3PZ 0.17020 -0.02581 -0.05271 0.01514 0.09658 61 4XX -0.00137 -0.01129 -0.00518 -0.00167 0.00075 62 4YY -0.00253 0.00386 0.00114 0.00652 -0.00038 63 4ZZ 0.00470 -0.00678 0.00449 -0.00330 -0.00006 64 4XY -0.00415 0.00321 -0.00319 -0.00011 -0.00028 65 4XZ -0.00116 0.00351 -0.00169 -0.00145 0.00063 66 4YZ -0.01081 -0.00060 -0.00006 -0.00162 -0.00357 67 8 H 1S -0.02264 0.11235 0.00498 0.08410 -0.00406 68 2S -0.02198 0.03320 -0.01110 0.07232 0.00216 69 9 C 1S 0.00490 0.00385 0.00368 -0.00396 0.00182 70 2S -0.01663 -0.00945 -0.00480 0.00899 -0.00699 71 2PX 0.00160 0.01292 -0.00201 -0.00015 -0.00415 72 2PY -0.03068 -0.02808 -0.00942 0.01240 -0.02231 73 2PZ 0.02388 -0.00623 0.01452 0.02514 0.02493 74 3S 0.00218 -0.01020 -0.04237 0.02365 0.01384 75 3PX -0.00185 0.00771 0.00407 -0.00201 -0.00494 76 3PY -0.01857 -0.01837 -0.01155 0.01565 -0.00894 77 3PZ 0.01589 -0.00339 0.01371 0.01143 0.01345 78 4XX -0.00003 0.00059 0.00185 0.00079 -0.00002 79 4YY 0.00053 0.00051 0.00138 -0.00036 -0.00117 80 4ZZ 0.00092 -0.00049 -0.00227 -0.00067 0.00161 81 4XY -0.00295 -0.00114 0.00075 0.00018 -0.00084 82 4XZ -0.00232 -0.00027 0.00192 -0.00021 -0.00237 83 4YZ -0.00723 -0.00211 -0.00124 0.00038 -0.00342 84 10 H 1S 0.02444 -0.00360 -0.00075 0.00943 0.02497 85 2S 0.03387 0.00098 -0.00617 0.00178 0.02866 86 11 H 1S 0.01092 0.01102 0.00908 0.00455 0.00279 87 2S 0.01335 0.01061 0.02205 0.00342 -0.00198 88 12 C 1S -0.05185 -0.00158 -0.00447 0.00707 -0.00574 89 2S 0.10797 0.01520 0.01064 -0.01663 0.02430 90 2PX -0.08301 -0.03857 0.00011 0.00297 -0.01550 91 2PY 0.11039 0.03620 0.00743 -0.01297 0.05084 92 2PZ -0.23453 -0.11064 -0.03885 0.01883 -0.09077 93 3S 0.08684 0.00025 0.04852 -0.02853 -0.00063 94 3PX -0.03735 -0.01153 -0.00165 -0.00036 -0.00754 95 3PY 0.05338 0.00988 0.00132 -0.00475 0.02377 96 3PZ -0.11715 -0.02320 -0.01622 0.00275 -0.04787 97 4XX -0.00375 -0.00464 -0.00411 -0.00008 0.00010 98 4YY -0.00224 -0.00177 -0.00125 0.00342 -0.00014 99 4ZZ 0.00103 0.00861 0.00456 -0.00229 -0.00148 100 4XY -0.00361 -0.00249 0.00119 -0.00060 -0.00105 101 4XZ 0.00571 0.00331 -0.00506 -0.00034 0.00512 102 4YZ -0.00869 -0.00612 -0.00155 -0.00276 -0.00415 103 13 H 1S -0.02613 -0.01620 0.00408 -0.00731 -0.02954 104 2S -0.05902 -0.01438 0.01446 -0.00677 -0.04306 105 14 H 1S -0.02345 -0.03206 -0.01669 -0.00582 0.00221 106 2S -0.02898 -0.04475 -0.04621 0.00375 0.01693 107 15 C 1S 0.00028 -0.00427 -0.00077 0.00191 0.00078 108 2S -0.00036 0.00569 0.00092 -0.00097 -0.00391 109 2PX 0.00106 -0.01577 -0.00104 0.00453 0.00864 110 2PY 0.00187 0.00789 -0.00268 0.00141 -0.00227 111 2PZ 0.00274 0.01037 -0.00059 -0.00641 0.00421 112 3S -0.00049 0.00771 0.00509 -0.00322 -0.00671 113 3PX 0.00161 -0.00049 0.00104 -0.00155 0.00251 114 3PY 0.00116 -0.00407 -0.00170 0.00207 0.00056 115 3PZ 0.00866 -0.00685 -0.00525 0.00533 0.00993 116 4XX 0.00062 -0.00398 -0.00129 0.00246 0.00156 117 4YY 0.00036 -0.00117 0.00005 0.00051 0.00071 118 4ZZ -0.00089 0.00503 0.00109 -0.00301 -0.00210 119 4XY -0.00100 0.00072 0.00172 -0.00061 -0.00133 120 4XZ -0.00005 0.00050 -0.00014 0.00009 -0.00040 121 4YZ 0.00097 -0.00382 -0.00104 0.00135 0.00158 122 16 C 1S -0.00066 -0.00040 0.00317 0.00096 -0.00133 123 2S 0.00422 -0.00631 -0.00581 0.00158 0.00434 124 2PX -0.00167 -0.01557 0.01645 0.02124 -0.00019 125 2PY 0.01217 -0.00887 -0.01834 0.00077 0.01980 126 2PZ 0.00573 0.00404 -0.02241 -0.01483 -0.00082 127 3S -0.01991 -0.00131 -0.00671 0.00009 -0.00727 128 3PX -0.01702 -0.00104 0.01959 0.01035 -0.00997 129 3PY -0.01066 -0.00791 0.00145 0.00611 0.00096 130 3PZ -0.00461 0.00824 -0.02259 -0.01129 -0.00260 131 4XX 0.00082 0.00048 -0.00095 -0.00073 0.00042 132 4YY -0.00048 0.00091 0.00000 -0.00033 -0.00013 133 4ZZ 0.00001 -0.00076 0.00059 0.00107 -0.00013 134 4XY 0.00325 -0.00075 -0.00377 0.00101 0.00331 135 4XZ -0.00149 -0.00094 0.00169 0.00101 -0.00148 136 4YZ -0.00330 0.00172 0.00388 -0.00112 -0.00305 137 17 C 1S 0.00244 0.00479 0.00167 0.00191 0.00396 138 2S -0.00672 0.00188 -0.00231 -0.00686 -0.00722 139 2PX 0.05650 -0.00879 -0.06592 0.01521 0.05403 140 2PY -0.00962 0.00295 0.01541 -0.00272 -0.01961 141 2PZ -0.05946 0.03433 0.06243 -0.01959 -0.05024 142 3S 0.01772 0.00633 0.00809 -0.01663 -0.00658 143 3PX 0.05827 -0.01131 -0.04891 0.01405 0.04815 144 3PY -0.01997 0.00142 0.01363 -0.00006 -0.01788 145 3PZ -0.02544 0.01276 0.04703 -0.01041 -0.03220 146 4XX -0.00506 0.00712 0.00462 -0.00312 -0.00457 147 4YY 0.00114 -0.00221 -0.00123 0.00109 0.00142 148 4ZZ 0.00308 -0.00431 -0.00194 0.00251 0.00257 149 4XY 0.00135 0.00026 -0.00166 -0.00187 0.00108 150 4XZ 0.00101 -0.00174 -0.00304 0.00075 0.00144 151 4YZ -0.00103 -0.00001 0.00253 0.00115 0.00021 152 18 H 1S 0.00282 -0.01834 -0.00436 0.01006 0.00827 153 2S 0.00565 -0.02969 -0.00958 0.01784 0.01473 154 19 H 1S -0.01269 0.00326 0.01990 0.00386 -0.01165 155 2S -0.02171 0.00516 0.02251 0.00369 -0.01651 156 20 H 1S 0.02148 -0.01940 -0.02450 0.00643 0.01187 157 2S 0.02821 -0.02510 -0.02492 0.01126 0.01827 158 21 H 1S -0.00338 0.02158 0.00373 -0.01273 -0.00671 159 2S -0.01361 0.03436 0.00894 -0.02261 -0.01664 160 22 O 1S 0.00063 -0.00072 -0.00230 0.00275 -0.00410 161 2S 0.00159 0.00713 0.00370 -0.00818 0.00911 162 2PX -0.01992 0.06014 0.03304 -0.03525 -0.03603 163 2PY 0.00434 -0.03805 0.01207 0.00553 0.01763 164 2PZ 0.02773 -0.09377 -0.02384 0.05511 0.04421 165 3S -0.01792 0.00112 0.00864 -0.00729 0.00832 166 3PX -0.01445 0.04692 0.02864 -0.02790 -0.02875 167 3PY 0.00722 -0.02465 0.00708 0.00346 0.01326 168 3PZ 0.03125 -0.06964 -0.02555 0.04139 0.04031 169 4XX -0.00083 -0.00102 0.00166 0.00027 -0.00089 170 4YY 0.00077 0.00234 -0.00115 -0.00011 -0.00071 171 4ZZ 0.00242 0.00015 -0.00189 -0.00023 0.00145 172 4XY 0.00036 -0.00189 -0.00172 0.00110 0.00119 173 4XZ 0.00006 0.00061 -0.00060 -0.00050 0.00008 174 4YZ -0.00079 0.00343 0.00027 -0.00176 -0.00116 175 23 O 1S -0.00038 0.00478 0.00034 -0.00292 -0.00037 176 2S -0.00241 -0.01174 0.00062 0.00710 -0.00261 177 2PX 0.00385 0.01339 -0.00598 -0.01718 0.00465 178 2PY -0.00207 -0.01504 0.01028 0.00351 -0.00627 179 2PZ 0.00366 -0.00940 -0.00676 0.01291 0.01134 180 3S 0.01629 -0.02205 -0.00577 0.01075 0.01418 181 3PX 0.00037 0.00989 -0.00764 -0.01268 0.00164 182 3PY 0.00212 -0.01203 0.00555 0.00296 -0.00118 183 3PZ 0.00013 -0.00810 -0.00206 0.01200 0.00637 184 4XX -0.00035 -0.00027 -0.00061 -0.00014 -0.00022 185 4YY -0.00100 -0.00009 0.00059 0.00005 -0.00109 186 4ZZ -0.00143 0.00112 0.00155 -0.00034 -0.00116 187 4XY -0.00023 0.00078 0.00003 -0.00066 -0.00012 188 4XZ -0.00015 -0.00042 0.00039 0.00024 -0.00009 189 4YZ -0.00048 0.00012 0.00021 0.00012 -0.00030 61 62 63 64 65 61 4XX 0.00149 62 4YY -0.00052 0.00186 63 4ZZ 0.00007 -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 0.01671 -0.00993 0.00155 -0.00194 68 2S -0.00501 0.01588 -0.00874 0.00135 -0.00309 69 9 C 1S 0.00030 -0.00148 0.00048 0.00034 0.00008 70 2S -0.00104 0.00319 -0.00116 -0.00074 -0.00025 71 2PX 0.00016 -0.00054 0.00018 -0.00001 -0.00082 72 2PY -0.00101 0.00818 -0.00392 -0.00173 -0.00099 73 2PZ 0.00235 -0.00101 0.00006 0.00056 -0.00056 74 3S -0.00084 0.00541 -0.00338 -0.00077 -0.00033 75 3PX 0.00010 -0.00059 0.00022 -0.00018 -0.00058 76 3PY -0.00038 0.00566 -0.00313 -0.00045 -0.00110 77 3PZ 0.00078 0.00002 -0.00023 0.00014 -0.00060 78 4XX 0.00012 -0.00023 0.00006 0.00006 -0.00005 79 4YY -0.00021 0.00009 0.00022 -0.00008 0.00008 80 4ZZ 0.00010 -0.00009 -0.00005 0.00001 0.00003 81 4XY 0.00020 0.00003 -0.00017 -0.00002 0.00028 82 4XZ -0.00014 -0.00003 0.00008 0.00002 0.00001 83 4YZ 0.00004 0.00020 -0.00002 0.00012 -0.00009 84 10 H 1S 0.00137 -0.00100 -0.00013 0.00010 0.00069 85 2S 0.00250 -0.00204 -0.00038 -0.00006 0.00099 86 11 H 1S -0.00024 -0.00155 0.00123 0.00019 -0.00082 87 2S -0.00114 -0.00211 0.00239 0.00041 -0.00093 88 12 C 1S 0.00165 0.00168 -0.00512 0.00133 -0.00200 89 2S -0.00383 -0.00346 0.00885 -0.00249 0.00368 90 2PX 0.00730 0.00096 -0.00570 -0.00081 0.00911 91 2PY -0.00065 -0.00950 0.00773 0.00065 0.00272 92 2PZ 0.00545 0.00364 0.00068 0.00406 -0.00358 93 3S -0.00365 -0.00684 0.01172 -0.00382 0.00373 94 3PX 0.00317 0.00064 -0.00266 -0.00044 0.00421 95 3PY -0.00081 -0.00362 0.00391 -0.00012 0.00107 96 3PZ 0.00129 0.00256 -0.00033 0.00239 -0.00117 97 4XX 0.00055 -0.00029 0.00004 0.00017 0.00026 98 4YY -0.00011 0.00085 -0.00055 -0.00004 -0.00019 99 4ZZ -0.00043 -0.00039 0.00029 0.00001 -0.00011 100 4XY 0.00026 -0.00005 -0.00009 -0.00006 0.00038 101 4XZ 0.00024 -0.00016 -0.00052 0.00012 0.00062 102 4YZ 0.00030 -0.00031 0.00033 0.00008 -0.00002 103 13 H 1S -0.00244 -0.00242 0.00811 0.00106 -0.00401 104 2S -0.00103 -0.00166 0.00534 0.00102 -0.00503 105 14 H 1S 0.00458 -0.00287 0.00116 0.00002 0.00707 106 2S 0.00610 -0.00199 -0.00220 0.00147 0.00575 107 15 C 1S 0.00004 0.00013 0.00003 0.00003 0.00016 108 2S 0.00020 -0.00018 0.00009 0.00003 -0.00059 109 2PX 0.00021 0.00006 -0.00010 -0.00012 0.00040 110 2PY -0.00035 0.00002 0.00026 -0.00017 -0.00029 111 2PZ -0.00101 0.00037 0.00014 0.00013 0.00018 112 3S 0.00069 -0.00020 -0.00002 -0.00016 -0.00113 113 3PX -0.00030 -0.00012 0.00010 -0.00009 0.00002 114 3PY 0.00023 -0.00008 0.00009 -0.00006 -0.00014 115 3PZ -0.00113 0.00041 0.00051 0.00026 0.00024 116 4XX 0.00006 0.00002 0.00004 0.00004 0.00007 117 4YY -0.00003 0.00002 0.00002 -0.00003 -0.00003 118 4ZZ -0.00004 -0.00004 -0.00008 -0.00001 0.00000 119 4XY -0.00015 0.00002 0.00010 0.00001 0.00004 120 4XZ -0.00006 0.00002 0.00001 0.00002 0.00002 121 4YZ 0.00024 -0.00002 -0.00009 0.00000 -0.00009 122 16 C 1S -0.00050 -0.00011 0.00057 0.00027 0.00026 123 2S 0.00121 0.00040 -0.00090 -0.00041 -0.00034 124 2PX -0.00642 0.00097 0.00319 0.00142 0.00302 125 2PY -0.00218 0.00126 0.00002 -0.00056 0.00109 126 2PZ 0.00551 -0.00060 -0.00255 -0.00099 -0.00228 127 3S 0.00314 0.00159 -0.00306 -0.00029 -0.00172 128 3PX -0.00457 0.00070 0.00203 0.00087 0.00155 129 3PY -0.00247 0.00134 0.00063 0.00000 0.00055 130 3PZ 0.00448 -0.00045 -0.00256 -0.00032 -0.00176 131 4XX 0.00002 -0.00003 -0.00003 0.00001 -0.00002 132 4YY 0.00001 0.00000 -0.00004 -0.00001 -0.00003 133 4ZZ -0.00011 0.00000 0.00012 0.00007 0.00008 134 4XY -0.00023 0.00013 -0.00002 0.00010 0.00023 135 4XZ -0.00002 -0.00001 0.00009 0.00005 -0.00002 136 4YZ 0.00021 -0.00009 -0.00009 -0.00009 -0.00015 137 17 C 1S -0.00149 0.00012 -0.00031 0.00016 0.00082 138 2S 0.00264 -0.00134 -0.00051 -0.00064 -0.00233 139 2PX -0.00496 0.00229 0.00005 0.00256 0.00541 140 2PY 0.00346 -0.00230 0.00012 0.00041 -0.00262 141 2PZ 0.00291 -0.00079 -0.00138 -0.00185 -0.00200 142 3S 0.00472 -0.00364 -0.00023 -0.00142 -0.00285 143 3PX -0.00307 0.00184 -0.00015 0.00135 0.00369 144 3PY 0.00193 0.00001 -0.00089 0.00003 -0.00203 145 3PZ 0.00247 -0.00113 -0.00026 -0.00168 -0.00204 146 4XX -0.00044 0.00003 0.00011 0.00002 0.00022 147 4YY 0.00004 0.00015 -0.00007 -0.00001 -0.00004 148 4ZZ 0.00018 -0.00003 0.00003 0.00004 -0.00003 149 4XY 0.00038 -0.00013 -0.00018 -0.00002 -0.00006 150 4XZ 0.00023 -0.00003 -0.00010 0.00009 -0.00003 151 4YZ -0.00043 0.00015 0.00011 0.00003 0.00023 152 18 H 1S 0.00012 0.00009 0.00020 0.00012 0.00031 153 2S -0.00027 0.00042 0.00041 0.00035 0.00087 154 19 H 1S -0.00039 -0.00023 0.00048 0.00024 0.00001 155 2S -0.00119 -0.00023 0.00102 0.00025 0.00013 156 20 H 1S 0.00237 -0.00130 0.00016 0.00041 -0.00177 157 2S 0.00128 -0.00061 0.00053 0.00025 -0.00071 158 21 H 1S -0.00017 -0.00012 -0.00023 0.00000 -0.00017 159 2S 0.00052 -0.00042 -0.00084 -0.00028 -0.00005 160 22 O 1S 0.00035 0.00017 0.00016 -0.00005 -0.00011 161 2S -0.00046 -0.00051 -0.00055 0.00017 0.00025 162 2PX -0.00293 0.00016 0.00088 -0.00094 0.00017 163 2PY 0.00032 0.00000 0.00000 -0.00031 -0.00046 164 2PZ 0.00201 0.00057 0.00045 -0.00014 -0.00175 165 3S -0.00246 0.00010 0.00027 0.00047 0.00070 166 3PX -0.00148 -0.00019 0.00035 -0.00083 -0.00011 167 3PY 0.00033 -0.00005 -0.00008 -0.00030 -0.00019 168 3PZ 0.00128 0.00055 0.00015 0.00014 -0.00076 169 4XX 0.00033 -0.00011 -0.00007 -0.00008 -0.00020 170 4YY -0.00001 0.00002 -0.00005 0.00002 0.00001 171 4ZZ -0.00001 -0.00003 -0.00002 0.00004 0.00007 172 4XY 0.00010 0.00001 -0.00005 0.00003 0.00002 173 4XZ -0.00002 -0.00003 0.00000 0.00003 -0.00005 174 4YZ -0.00021 0.00004 0.00000 0.00003 0.00017 175 23 O 1S 0.00005 -0.00013 -0.00024 -0.00001 -0.00001 176 2S 0.00009 0.00025 0.00047 0.00007 -0.00013 177 2PX 0.00284 -0.00074 -0.00252 -0.00087 -0.00149 178 2PY 0.00057 -0.00051 0.00016 0.00024 -0.00050 179 2PZ -0.00300 0.00126 0.00186 0.00054 0.00179 180 3S -0.00127 0.00029 0.00151 -0.00019 0.00050 181 3PX 0.00285 -0.00057 -0.00228 -0.00059 -0.00134 182 3PY 0.00037 -0.00046 0.00020 0.00018 -0.00030 183 3PZ -0.00270 0.00102 0.00155 0.00056 0.00155 184 4XX 0.00027 -0.00002 -0.00012 -0.00002 -0.00009 185 4YY 0.00006 -0.00002 -0.00004 0.00003 -0.00004 186 4ZZ -0.00011 -0.00001 0.00003 0.00002 0.00003 187 4XY 0.00012 -0.00005 -0.00008 -0.00001 -0.00007 188 4XZ -0.00002 0.00001 0.00002 0.00000 0.00001 189 4YZ 0.00002 0.00000 0.00004 0.00001 -0.00002 66 67 68 69 70 66 4YZ 0.00065 67 8 H 1S -0.00170 0.21714 68 2S -0.00104 0.17586 0.16496 69 9 C 1S 0.00110 -0.00717 -0.00907 2.05092 70 2S -0.00199 0.01458 0.01876 -0.05341 0.30682 71 2PX 0.00032 -0.00151 -0.00485 -0.00090 0.00094 72 2PY -0.00724 0.03618 0.06045 0.00199 -0.00122 73 2PZ 0.00107 -0.00434 -0.01994 -0.00339 0.00249 74 3S -0.00250 0.04598 0.05206 -0.18587 0.27976 75 3PX 0.00018 -0.00396 -0.00610 -0.00226 0.00385 76 3PY -0.00318 0.03698 0.04915 -0.00044 -0.00253 77 3PZ 0.00055 -0.00019 -0.00658 -0.00163 0.00937 78 4XX 0.00021 -0.00081 -0.00228 -0.01787 0.00019 79 4YY -0.00034 -0.00011 0.00023 -0.01551 -0.00514 80 4ZZ 0.00021 -0.00001 0.00044 -0.01630 -0.00351 81 4XY 0.00007 0.00029 0.00036 0.00056 -0.00106 82 4XZ -0.00004 -0.00020 -0.00043 0.00050 -0.00110 83 4YZ 0.00018 0.00198 0.00306 0.00140 -0.00268 84 10 H 1S 0.00105 -0.00529 -0.01306 -0.05287 0.10196 85 2S 0.00117 -0.01224 -0.01808 -0.00700 0.02105 86 11 H 1S 0.00098 -0.00724 -0.01829 -0.05306 0.10305 87 2S 0.00075 -0.01154 -0.02512 -0.00470 0.02007 88 12 C 1S 0.00340 0.01166 0.01409 0.01015 -0.01941 89 2S -0.00664 -0.02374 -0.02635 -0.01941 0.03034 90 2PX 0.00319 0.00669 0.01508 0.00027 -0.00112 91 2PY 0.00439 -0.03133 -0.05916 0.06234 -0.12841 92 2PZ 0.00854 0.03239 0.06668 0.00368 -0.00768 93 3S -0.00655 -0.06426 -0.06879 0.00627 0.00956 94 3PX 0.00139 0.00613 0.00961 0.00051 -0.00149 95 3PY 0.00182 -0.00754 -0.01769 0.01397 -0.04158 96 3PZ 0.00426 0.02545 0.03802 0.00321 -0.00962 97 4XX 0.00039 -0.00156 -0.00043 0.00206 -0.00506 98 4YY -0.00020 0.00650 0.00718 -0.00682 0.01180 99 4ZZ 0.00009 -0.00183 -0.00457 0.00208 -0.00477 100 4XY 0.00013 -0.00121 -0.00058 -0.00001 0.00002 101 4XZ -0.00011 -0.00093 -0.00158 -0.00011 0.00018 102 4YZ 0.00031 -0.00478 -0.00206 0.00032 -0.00030 103 13 H 1S 0.00144 -0.00897 -0.00497 0.00840 -0.02009 104 2S 0.00280 -0.00567 -0.00227 0.01010 -0.02085 105 14 H 1S 0.00220 -0.01340 -0.00728 0.00761 -0.01999 106 2S 0.00328 -0.01059 -0.00004 0.00792 -0.01756 107 15 C 1S 0.00007 0.00003 0.00032 -0.00065 0.00137 108 2S -0.00011 -0.00057 -0.00251 0.00156 -0.00373 109 2PX 0.00005 -0.00048 0.00236 -0.00190 0.00417 110 2PY -0.00002 0.00079 -0.00311 0.00001 0.00041 111 2PZ -0.00016 0.00234 0.00527 0.00281 -0.00423 112 3S -0.00013 -0.00148 -0.00319 0.00356 -0.00478 113 3PX 0.00009 -0.00031 0.00077 0.00052 -0.00167 114 3PY 0.00004 -0.00086 -0.00099 0.00086 -0.00110 115 3PZ -0.00028 0.00146 0.00219 0.00190 -0.00207 116 4XX -0.00002 -0.00016 -0.00032 -0.00032 0.00025 117 4YY 0.00000 0.00008 0.00021 -0.00006 0.00027 118 4ZZ 0.00001 0.00006 0.00022 0.00026 -0.00041 119 4XY -0.00001 0.00003 -0.00011 0.00015 -0.00060 120 4XZ 0.00000 0.00021 0.00000 0.00001 -0.00004 121 4YZ 0.00001 -0.00029 0.00036 -0.00031 0.00062 122 16 C 1S -0.00015 -0.00154 -0.00261 -0.00160 0.00237 123 2S 0.00011 0.00206 0.00376 0.00232 -0.00724 124 2PX -0.00055 0.00479 -0.00464 -0.00601 0.01600 125 2PY 0.00046 0.00970 0.01643 -0.00138 0.00411 126 2PZ 0.00052 -0.00401 0.00638 0.00522 -0.01807 127 3S 0.00055 0.02037 0.02622 0.00606 -0.00124 128 3PX -0.00013 0.00386 -0.00368 -0.00470 0.01725 129 3PY 0.00041 0.01136 0.01246 -0.00098 0.01047 130 3PZ 0.00045 -0.00076 0.00671 0.00664 -0.00698 131 4XX 0.00004 -0.00022 0.00028 -0.00063 0.00056 132 4YY 0.00001 0.00017 0.00015 0.00003 -0.00028 133 4ZZ -0.00007 -0.00023 -0.00083 -0.00062 0.00051 134 4XY -0.00004 0.00116 0.00147 -0.00037 0.00055 135 4XZ 0.00000 -0.00024 -0.00089 0.00066 -0.00101 136 4YZ 0.00003 -0.00057 -0.00104 0.00023 -0.00046 137 17 C 1S -0.00007 0.00408 0.00292 -0.00135 0.00331 138 2S 0.00042 -0.00633 -0.00297 0.00251 -0.00446 139 2PX -0.00117 0.01726 0.02258 -0.00749 0.01643 140 2PY -0.00042 -0.01446 -0.01732 0.00026 -0.00225 141 2PZ 0.00099 -0.00486 -0.01181 0.00676 -0.01383 142 3S -0.00038 -0.02949 -0.02846 0.00525 -0.02179 143 3PX -0.00132 0.01402 0.01788 -0.00501 0.00780 144 3PY 0.00012 0.00485 0.00477 0.00098 0.00160 145 3PZ 0.00000 -0.00815 -0.01338 0.00473 -0.01516 146 4XX 0.00008 0.00033 -0.00067 0.00003 0.00002 147 4YY -0.00001 0.00113 0.00161 -0.00008 0.00002 148 4ZZ -0.00010 -0.00055 -0.00050 -0.00049 0.00104 149 4XY -0.00001 -0.00137 -0.00017 0.00020 -0.00069 150 4XZ 0.00000 -0.00012 0.00045 0.00000 -0.00019 151 4YZ -0.00001 0.00127 0.00062 -0.00011 0.00086 152 18 H 1S -0.00004 -0.00050 -0.00051 -0.00148 0.00243 153 2S -0.00012 0.00055 0.00036 -0.00291 0.00564 154 19 H 1S -0.00028 -0.00202 -0.00894 0.00045 0.00109 155 2S -0.00010 -0.00284 -0.01062 0.00048 0.00573 156 20 H 1S -0.00041 -0.00805 -0.00416 -0.00132 0.00099 157 2S -0.00067 -0.00435 -0.00116 -0.00232 0.00125 158 21 H 1S 0.00002 0.00045 0.00163 0.00270 -0.00473 159 2S 0.00029 0.00001 0.00218 -0.00010 -0.00130 160 22 O 1S 0.00000 0.00030 -0.00252 0.00035 -0.00090 161 2S -0.00013 -0.00116 0.00539 -0.00036 0.00121 162 2PX 0.00009 0.00314 -0.00053 0.00404 -0.00894 163 2PY -0.00005 -0.00246 0.00903 -0.00108 0.00204 164 2PZ -0.00007 -0.00083 -0.00038 -0.00486 0.01105 165 3S 0.00070 0.00162 0.01044 -0.00302 0.00783 166 3PX -0.00009 0.00071 -0.00212 0.00391 -0.00956 167 3PY -0.00017 -0.00217 0.00531 -0.00036 0.00118 168 3PZ -0.00036 0.00107 0.00268 -0.00479 0.00936 169 4XX -0.00001 -0.00078 -0.00088 0.00039 -0.00038 170 4YY -0.00004 0.00045 -0.00030 0.00020 -0.00039 171 4ZZ -0.00006 -0.00011 0.00018 0.00013 0.00006 172 4XY 0.00002 -0.00008 0.00009 -0.00012 0.00032 173 4XZ 0.00000 -0.00013 0.00014 -0.00004 0.00003 174 4YZ 0.00002 0.00054 0.00048 0.00012 -0.00006 175 23 O 1S 0.00001 0.00027 0.00064 -0.00055 0.00098 176 2S 0.00003 -0.00065 -0.00182 0.00228 -0.00251 177 2PX 0.00036 -0.00043 0.00851 -0.00379 0.01216 178 2PY 0.00001 -0.00414 -0.00308 -0.00114 -0.00118 179 2PZ -0.00037 0.00615 0.00135 0.00311 -0.00876 180 3S -0.00001 -0.00284 -0.00272 -0.00116 -0.00487 181 3PX 0.00031 0.00000 0.00714 -0.00096 0.00699 182 3PY -0.00001 -0.00403 -0.00308 -0.00086 -0.00247 183 3PZ -0.00033 0.00529 0.00040 0.00116 -0.00346 184 4XX 0.00000 -0.00014 0.00008 0.00046 -0.00072 185 4YY 0.00001 0.00004 -0.00003 0.00040 -0.00042 186 4ZZ -0.00001 0.00006 -0.00024 0.00021 0.00056 187 4XY 0.00001 -0.00017 0.00002 -0.00008 0.00060 188 4XZ 0.00000 0.00000 -0.00006 0.00030 -0.00048 189 4YZ -0.00002 -0.00008 -0.00028 0.00031 -0.00067 71 72 73 74 75 71 2PX 0.41187 72 2PY -0.00499 0.38124 73 2PZ -0.00313 -0.00574 0.38896 74 3S -0.00647 0.00793 -0.02478 0.30210 75 3PX 0.18595 -0.00355 0.00071 -0.00137 0.08585 76 3PY 0.00076 0.17352 -0.00966 0.00729 -0.00186 77 3PZ 0.00744 -0.00608 0.17988 -0.00699 0.00654 78 4XX 0.01072 -0.01029 0.01115 -0.00035 0.00492 79 4YY 0.00056 0.01508 -0.00103 -0.00513 0.00020 80 4ZZ -0.01053 -0.00819 -0.00580 -0.00015 -0.00477 81 4XY -0.01582 0.00029 0.00039 -0.00117 -0.00724 82 4XZ 0.01494 -0.00053 -0.01187 -0.00235 0.00665 83 4YZ -0.00003 0.00069 -0.01284 -0.00250 -0.00016 84 10 H 1S -0.18021 -0.08046 0.17921 0.09108 -0.07906 85 2S -0.16491 -0.06623 0.15935 0.01901 -0.07320 86 11 H 1S 0.24407 -0.09284 0.06747 0.08095 0.11188 87 2S 0.21325 -0.07583 0.05573 -0.00680 0.09433 88 12 C 1S 0.00027 -0.06234 0.00368 0.00627 0.00051 89 2S -0.00112 0.12841 -0.00768 0.00956 -0.00149 90 2PX -0.00075 0.00197 0.00493 0.00446 -0.00514 91 2PY -0.00197 -0.31488 0.00211 -0.12580 -0.00285 92 2PZ 0.00493 -0.00212 0.00695 -0.00424 -0.00109 93 3S 0.00447 0.12580 -0.00424 -0.03255 0.00253 94 3PX -0.00514 0.00285 -0.00109 0.00253 -0.00533 95 3PY -0.00013 -0.14639 -0.01479 -0.03364 -0.00180 96 3PZ -0.00073 0.00208 -0.00677 -0.00816 -0.00276 97 4XX -0.00024 -0.00708 0.00043 -0.00420 -0.00048 98 4YY -0.00037 0.00827 0.00046 0.01297 -0.00018 99 4ZZ 0.00063 -0.00813 0.00082 -0.00656 0.00073 100 4XY -0.01155 0.00033 0.00029 -0.00016 -0.00535 101 4XZ -0.00064 -0.00060 0.00059 0.00163 -0.00063 102 4YZ 0.00043 0.00007 -0.01048 -0.00038 0.00012 103 13 H 1S 0.01884 -0.02735 -0.01614 -0.03336 0.00937 104 2S 0.03501 -0.05263 -0.02229 -0.03229 0.01823 105 14 H 1S -0.02272 -0.02939 -0.00278 -0.01940 -0.01473 106 2S -0.04407 -0.05181 -0.00223 -0.00379 -0.02328 107 15 C 1S 0.00329 -0.00005 0.00042 0.00215 0.00092 108 2S -0.00908 -0.00032 -0.00083 -0.00212 -0.00275 109 2PX 0.00788 0.00096 0.00238 0.00324 0.00254 110 2PY 0.00185 0.00005 0.00246 -0.00568 0.00021 111 2PZ -0.01835 0.00433 -0.00495 -0.01753 -0.00968 112 3S -0.01119 0.00019 -0.00241 -0.00295 -0.00371 113 3PX -0.00734 -0.00476 0.00093 -0.00221 -0.00299 114 3PY -0.00496 0.00071 0.00067 -0.00041 0.00015 115 3PZ -0.01921 0.00415 -0.00710 -0.00572 -0.01057 116 4XX 0.00064 0.00036 0.00001 0.00118 -0.00002 117 4YY 0.00022 0.00026 -0.00012 -0.00037 -0.00006 118 4ZZ -0.00038 -0.00035 -0.00005 -0.00068 0.00030 119 4XY -0.00009 0.00014 0.00029 -0.00087 -0.00002 120 4XZ -0.00050 0.00006 0.00002 0.00079 -0.00006 121 4YZ 0.00027 -0.00019 -0.00046 0.00190 0.00109 122 16 C 1S 0.00275 0.00037 -0.00219 0.00255 0.00447 123 2S -0.00839 0.00112 0.01167 -0.00748 -0.00430 124 2PX 0.01449 0.00147 -0.01969 0.01136 0.01166 125 2PY 0.00285 0.00184 -0.00129 -0.00173 0.00523 126 2PZ -0.01389 0.00169 0.01865 -0.00089 0.00415 127 3S -0.00167 -0.00813 -0.01872 0.00821 -0.00074 128 3PX 0.02393 0.00042 -0.03174 0.00614 0.01151 129 3PY 0.00749 -0.00131 -0.02065 0.01295 0.00524 130 3PZ -0.00779 -0.00013 0.00120 0.00619 -0.00038 131 4XX 0.00092 0.00003 -0.00036 0.00265 0.00163 132 4YY -0.00017 0.00039 0.00086 -0.00173 -0.00055 133 4ZZ 0.00050 0.00048 -0.00154 0.00032 -0.00056 134 4XY -0.00007 0.00037 -0.00068 0.00252 -0.00074 135 4XZ -0.00114 0.00007 0.00209 -0.00127 -0.00019 136 4YZ 0.00049 -0.00025 0.00104 -0.00140 0.00029 137 17 C 1S 0.00010 0.00131 -0.00447 0.00485 -0.00199 138 2S -0.00034 -0.00181 0.00621 -0.00903 0.00102 139 2PX -0.00553 0.00836 -0.02316 0.04192 -0.01623 140 2PY 0.00294 -0.00296 -0.00042 0.00883 0.00246 141 2PZ 0.00340 -0.00671 0.01780 -0.03612 0.00601 142 3S -0.00053 -0.00380 0.04389 -0.04200 0.00318 143 3PX -0.01195 0.01242 -0.01016 0.02839 -0.01262 144 3PY 0.00919 -0.00419 -0.00923 0.00535 0.00702 145 3PZ 0.00205 -0.00047 0.02306 -0.03138 0.00618 146 4XX -0.00010 -0.00020 -0.00037 -0.00109 -0.00048 147 4YY -0.00039 0.00053 0.00052 0.00032 0.00016 148 4ZZ 0.00049 0.00051 -0.00123 0.00204 0.00013 149 4XY -0.00069 0.00008 0.00080 0.00000 -0.00060 150 4XZ -0.00064 0.00001 0.00047 0.00124 -0.00079 151 4YZ 0.00045 -0.00028 -0.00108 -0.00020 -0.00027 152 18 H 1S 0.00374 0.00104 0.00045 0.00559 0.00051 153 2S 0.00935 0.00523 -0.00186 0.00914 0.00123 154 19 H 1S 0.00160 -0.00109 -0.00103 -0.00629 -0.00653 155 2S 0.00505 0.00098 -0.00801 -0.00090 -0.00371 156 20 H 1S -0.00111 0.00171 -0.00124 0.01424 0.00070 157 2S -0.00626 0.00757 -0.00090 0.01824 -0.00230 158 21 H 1S -0.00805 -0.00102 -0.00060 -0.01212 -0.00232 159 2S 0.01067 -0.00203 0.00672 -0.00944 0.00804 160 22 O 1S -0.00001 -0.00021 0.00074 -0.00140 0.00066 161 2S 0.00059 0.00149 -0.00001 0.00520 -0.00116 162 2PX 0.00208 0.00085 0.00992 -0.02579 0.00457 163 2PY 0.00350 0.00314 -0.00004 0.00375 0.01138 164 2PZ 0.00420 0.00132 -0.00776 0.01643 0.00984 165 3S -0.00133 -0.00365 -0.01229 0.00764 -0.00274 166 3PX 0.00212 0.00073 0.01197 -0.02367 0.00319 167 3PY 0.00402 0.00359 0.00176 0.00329 0.00885 168 3PZ 0.00351 0.00254 -0.00679 0.01702 0.00549 169 4XX 0.00086 0.00007 0.00102 -0.00092 0.00070 170 4YY -0.00015 0.00010 0.00069 -0.00005 -0.00042 171 4ZZ -0.00014 0.00042 -0.00005 0.00064 -0.00017 172 4XY -0.00017 0.00007 -0.00049 0.00066 -0.00030 173 4XZ -0.00017 0.00007 -0.00004 0.00026 -0.00021 174 4YZ 0.00007 -0.00019 -0.00002 -0.00011 -0.00039 175 23 O 1S 0.00448 -0.00124 -0.00165 0.00837 0.00231 176 2S -0.00961 0.00340 0.00099 -0.01855 -0.00415 177 2PX 0.01821 -0.00614 -0.00593 0.01250 0.01346 178 2PY 0.00506 -0.00452 0.00074 0.03111 0.01810 179 2PZ -0.02211 0.00844 -0.00282 -0.02062 -0.03043 180 3S -0.02702 0.00435 0.01800 -0.02748 -0.01421 181 3PX 0.01208 -0.00447 -0.00653 0.00875 0.01046 182 3PY -0.00199 -0.00335 0.00534 0.01881 0.00959 183 3PZ -0.01266 0.00584 -0.00685 -0.01344 -0.01984 184 4XX -0.00018 0.00039 0.00000 -0.00045 -0.00034 185 4YY -0.00023 -0.00003 -0.00064 0.00149 0.00081 186 4ZZ 0.00142 -0.00010 -0.00159 -0.00030 0.00048 187 4XY 0.00078 -0.00045 -0.00066 0.00034 0.00029 188 4XZ -0.00179 0.00033 0.00045 -0.00070 -0.00073 189 4YZ -0.00146 0.00046 -0.00005 -0.00142 -0.00148 76 77 78 79 80 76 3PY 0.08588 77 3PZ -0.00766 0.09074 78 4XX -0.00456 0.00529 0.00113 79 4YY 0.00601 -0.00086 -0.00033 0.00121 80 4ZZ -0.00318 -0.00239 -0.00017 -0.00033 0.00105 81 4XY -0.00004 -0.00023 -0.00040 0.00003 0.00038 82 4XZ 0.00025 -0.00508 0.00023 0.00007 -0.00033 83 4YZ 0.00092 -0.00612 -0.00042 0.00025 0.00018 84 10 H 1S -0.04180 0.08296 0.00243 -0.00576 0.00363 85 2S -0.03400 0.07122 0.00131 -0.00434 0.00446 86 11 H 1S -0.04140 0.03912 0.01149 -0.00486 -0.00663 87 2S -0.02999 0.02563 0.01044 -0.00282 -0.00648 88 12 C 1S -0.01397 0.00321 0.00206 -0.00682 0.00208 89 2S 0.04158 -0.00962 -0.00506 0.01180 -0.00477 90 2PX 0.00013 -0.00073 -0.00024 -0.00037 0.00063 91 2PY -0.14639 -0.00208 0.00708 -0.00827 0.00813 92 2PZ 0.01479 -0.00677 0.00043 0.00046 0.00082 93 3S 0.03364 -0.00815 -0.00420 0.01297 -0.00656 94 3PX 0.00180 -0.00276 -0.00048 -0.00018 0.00073 95 3PY -0.06475 -0.00906 0.00296 -0.00461 0.00444 96 3PZ 0.00906 -0.00863 -0.00045 0.00072 0.00072 97 4XX -0.00296 -0.00045 0.00013 -0.00014 0.00028 98 4YY 0.00461 0.00072 -0.00014 -0.00006 -0.00018 99 4ZZ -0.00444 0.00072 0.00028 -0.00018 0.00010 100 4XY -0.00021 -0.00024 -0.00031 0.00002 0.00028 101 4XZ -0.00052 0.00016 -0.00004 -0.00013 0.00008 102 4YZ 0.00009 -0.00526 -0.00030 0.00010 0.00016 103 13 H 1S -0.01271 -0.01225 0.00039 0.00276 -0.00025 104 2S -0.02122 -0.01141 0.00188 -0.00032 0.00040 105 14 H 1S -0.01812 -0.00845 -0.00095 0.00174 0.00161 106 2S -0.02464 -0.00581 -0.00070 -0.00149 0.00325 107 15 C 1S -0.00061 -0.00086 -0.00002 0.00007 -0.00007 108 2S 0.00100 0.00004 -0.00013 -0.00026 0.00031 109 2PX -0.00028 -0.00164 -0.00008 0.00029 -0.00045 110 2PY -0.00102 0.00025 0.00010 -0.00006 -0.00004 111 2PZ 0.00548 0.00069 -0.00011 0.00016 0.00025 112 3S 0.00052 0.00040 -0.00031 -0.00036 0.00070 113 3PX -0.00296 0.00092 -0.00023 -0.00004 0.00033 114 3PY -0.00061 0.00171 -0.00022 -0.00001 0.00011 115 3PZ 0.00459 -0.00645 -0.00043 0.00024 -0.00014 116 4XX 0.00041 -0.00132 0.00004 0.00000 -0.00014 117 4YY 0.00036 -0.00059 -0.00002 0.00003 -0.00003 118 4ZZ -0.00068 0.00184 -0.00001 -0.00002 0.00014 119 4XY 0.00096 -0.00079 0.00006 0.00003 -0.00009 120 4XZ -0.00017 0.00014 -0.00002 0.00000 0.00001 121 4YZ -0.00100 0.00153 -0.00005 -0.00004 0.00005 122 16 C 1S 0.00152 -0.00310 -0.00041 0.00002 -0.00071 123 2S 0.00070 0.00600 0.00046 -0.00044 0.00039 124 2PX -0.00823 -0.00175 0.00106 0.00241 -0.00460 125 2PY 0.00237 0.00097 -0.00006 0.00090 -0.00118 126 2PZ 0.00976 0.00681 -0.00135 -0.00246 0.00367 127 3S -0.00022 -0.00599 0.00009 -0.00193 0.00176 128 3PX -0.00630 -0.01038 0.00074 0.00187 -0.00344 129 3PY -0.00020 -0.00826 -0.00012 0.00015 -0.00076 130 3PZ 0.00482 -0.00124 -0.00115 -0.00175 0.00268 131 4XX -0.00103 0.00221 -0.00015 -0.00006 0.00024 132 4YY 0.00030 -0.00003 0.00004 0.00009 -0.00008 133 4ZZ 0.00096 -0.00250 0.00005 0.00005 -0.00017 134 4XY 0.00040 -0.00077 -0.00009 0.00006 0.00003 135 4XZ 0.00011 0.00054 0.00012 0.00001 -0.00016 136 4YZ -0.00086 0.00121 0.00013 -0.00004 0.00000 137 17 C 1S -0.00085 -0.00127 -0.00017 0.00005 0.00010 138 2S 0.00100 0.00195 0.00043 -0.00014 -0.00004 139 2PX 0.00750 -0.01813 -0.00142 0.00112 -0.00045 140 2PY -0.00146 -0.00012 -0.00011 -0.00098 0.00111 141 2PZ -0.01048 0.01475 0.00137 -0.00090 0.00048 142 3S -0.00214 0.02033 0.00139 0.00026 -0.00033 143 3PX 0.00969 -0.00941 -0.00147 0.00079 0.00014 144 3PY -0.00077 -0.00151 0.00037 -0.00090 0.00036 145 3PZ -0.00395 0.01530 0.00129 -0.00035 -0.00008 146 4XX -0.00025 -0.00021 0.00000 0.00006 0.00003 147 4YY 0.00050 0.00046 0.00000 -0.00001 -0.00001 148 4ZZ 0.00008 -0.00077 -0.00004 -0.00001 -0.00004 149 4XY 0.00040 0.00015 -0.00007 -0.00012 0.00024 150 4XZ 0.00020 -0.00018 -0.00003 -0.00006 0.00009 151 4YZ -0.00075 -0.00029 0.00007 0.00013 -0.00020 152 18 H 1S 0.00112 -0.00514 0.00001 0.00012 -0.00060 153 2S 0.00425 -0.01008 0.00014 0.00038 -0.00132 154 19 H 1S -0.00366 -0.00270 0.00098 0.00039 -0.00090 155 2S -0.00288 -0.00756 0.00068 0.00064 -0.00135 156 20 H 1S 0.00473 -0.00305 -0.00050 -0.00037 0.00053 157 2S 0.00674 -0.00338 -0.00091 -0.00020 0.00066 158 21 H 1S 0.00034 0.00659 0.00011 -0.00020 0.00062 159 2S -0.00285 0.01557 0.00053 -0.00023 0.00073 160 22 O 1S -0.00032 0.00120 0.00004 -0.00004 -0.00007 161 2S 0.00170 -0.00313 -0.00018 0.00000 0.00014 162 2PX 0.00796 0.00206 0.00035 0.00056 0.00002 163 2PY 0.00147 0.00662 0.00002 0.00024 -0.00066 164 2PZ -0.00790 0.00189 -0.00015 -0.00030 -0.00126 165 3S -0.00055 -0.01043 -0.00035 0.00020 -0.00016 166 3PX 0.00614 0.00362 0.00055 0.00032 0.00000 167 3PY 0.00121 0.00583 0.00000 0.00020 -0.00047 168 3PZ -0.00421 -0.00022 -0.00026 -0.00007 -0.00093 169 4XX -0.00017 0.00061 0.00007 -0.00005 -0.00002 170 4YY 0.00011 0.00010 0.00001 -0.00003 0.00003 171 4ZZ 0.00046 0.00006 -0.00005 0.00001 0.00004 172 4XY -0.00028 -0.00015 -0.00001 -0.00001 -0.00001 173 4XZ 0.00025 -0.00019 -0.00001 -0.00001 0.00001 174 4YZ 0.00016 -0.00026 0.00000 0.00005 0.00000 175 23 O 1S -0.00265 0.00095 0.00014 -0.00007 0.00013 176 2S 0.00504 -0.00118 -0.00029 0.00012 -0.00040 177 2PX -0.01906 0.02775 -0.00092 -0.00022 0.00224 178 2PY -0.00894 0.01363 0.00024 -0.00054 -0.00010 179 2PZ 0.03008 -0.04820 0.00025 0.00078 -0.00182 180 3S 0.00733 0.00314 -0.00059 0.00044 -0.00016 181 3PX -0.01350 0.01960 -0.00078 -0.00045 0.00192 182 3PY -0.00611 0.01099 0.00013 -0.00037 0.00007 183 3PZ 0.02006 -0.03600 0.00032 0.00083 -0.00189 184 4XX 0.00079 -0.00089 -0.00003 -0.00008 0.00010 185 4YY -0.00051 0.00054 -0.00002 -0.00001 0.00000 186 4ZZ -0.00047 -0.00017 0.00005 0.00006 -0.00010 187 4XY -0.00084 0.00070 -0.00005 -0.00001 0.00010 188 4XZ -0.00010 0.00054 -0.00003 0.00002 0.00001 189 4YZ 0.00138 -0.00194 0.00000 -0.00001 -0.00001 81 82 83 84 85 81 4XY 0.00096 82 4XZ -0.00054 0.00130 83 4YZ 0.00004 0.00042 0.00091 84 10 H 1S 0.00696 -0.01312 -0.00750 0.21529 85 2S 0.00698 -0.01252 -0.00651 0.17308 0.15893 86 11 H 1S -0.01023 0.00741 -0.00360 -0.02500 -0.05205 87 2S -0.00917 0.00856 -0.00244 -0.05356 -0.06141 88 12 C 1S 0.00001 -0.00011 -0.00032 0.00840 0.01010 89 2S -0.00002 0.00018 0.00030 -0.02009 -0.02085 90 2PX 0.01155 -0.00064 -0.00043 0.01884 0.03501 91 2PY 0.00033 0.00060 0.00007 0.02735 0.05263 92 2PZ -0.00029 0.00059 0.01048 -0.01614 -0.02229 93 3S 0.00016 0.00163 0.00039 -0.03336 -0.03229 94 3PX 0.00535 -0.00063 -0.00012 0.00937 0.01823 95 3PY -0.00021 0.00052 0.00009 0.01271 0.02122 96 3PZ 0.00024 0.00016 0.00526 -0.01225 -0.01141 97 4XX 0.00031 -0.00004 0.00030 0.00039 0.00188 98 4YY -0.00002 -0.00013 -0.00010 0.00276 -0.00032 99 4ZZ -0.00028 0.00008 -0.00016 -0.00025 0.00040 100 4XY 0.00089 -0.00042 -0.00003 0.00568 0.00580 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 -0.00568 0.00207 0.00549 -0.03157 -0.03521 104 2S -0.00580 0.00284 0.00499 -0.03521 -0.03751 105 14 H 1S 0.00761 -0.00092 0.00178 0.01701 0.03047 106 2S 0.00741 -0.00198 0.00143 0.03245 0.04130 107 15 C 1S -0.00013 0.00031 0.00004 -0.00112 -0.00173 108 2S 0.00022 -0.00060 -0.00002 0.00309 0.00488 109 2PX -0.00040 0.00058 0.00003 -0.00253 -0.00484 110 2PY -0.00023 0.00013 -0.00015 0.00028 0.00067 111 2PZ 0.00062 -0.00055 0.00015 0.00309 0.00346 112 3S 0.00022 -0.00098 -0.00006 0.00385 0.00721 113 3PX -0.00002 -0.00021 -0.00001 0.00343 0.00266 114 3PY 0.00030 -0.00028 -0.00003 0.00247 0.00303 115 3PZ 0.00032 -0.00007 0.00027 0.00143 -0.00121 116 4XX -0.00004 0.00008 0.00003 -0.00055 -0.00102 117 4YY -0.00002 0.00005 0.00002 -0.00024 -0.00017 118 4ZZ 0.00004 -0.00010 -0.00005 0.00048 0.00083 119 4XY 0.00003 0.00001 -0.00001 -0.00017 0.00030 120 4XZ 0.00000 -0.00002 0.00000 0.00018 0.00000 121 4YZ -0.00003 -0.00002 0.00002 0.00005 -0.00052 122 16 C 1S -0.00011 0.00080 0.00005 -0.00263 -0.00281 123 2S 0.00043 -0.00161 -0.00026 0.00805 0.01140 124 2PX -0.00026 0.00571 0.00064 -0.02530 -0.05155 125 2PY 0.00006 0.00109 0.00024 -0.00457 -0.00982 126 2PZ 0.00017 -0.00603 -0.00063 0.02413 0.05074 127 3S 0.00003 -0.00100 0.00124 -0.00338 0.00315 128 3PX -0.00086 0.00534 0.00131 -0.03165 -0.05085 129 3PY -0.00052 0.00189 0.00081 -0.01292 -0.02064 130 3PZ 0.00002 -0.00366 0.00021 0.01169 0.02778 131 4XX -0.00009 -0.00014 -0.00006 0.00042 0.00044 132 4YY 0.00002 0.00004 0.00002 -0.00006 -0.00015 133 4ZZ 0.00000 0.00017 0.00005 -0.00121 -0.00139 134 4XY 0.00001 0.00001 0.00004 -0.00009 -0.00071 135 4XZ 0.00005 -0.00002 -0.00003 0.00067 0.00051 136 4YZ 0.00000 0.00001 -0.00004 0.00002 0.00017 137 17 C 1S -0.00010 0.00018 0.00019 -0.00124 -0.00321 138 2S -0.00004 -0.00024 0.00007 0.00104 0.00341 139 2PX 0.00026 0.00165 0.00050 -0.00605 -0.02198 140 2PY -0.00047 -0.00062 -0.00021 0.00206 0.00740 141 2PZ -0.00017 -0.00135 -0.00023 0.00384 0.01342 142 3S 0.00040 -0.00187 -0.00164 0.01568 0.02780 143 3PX 0.00082 0.00007 -0.00037 0.00285 -0.00370 144 3PY -0.00055 0.00044 0.00061 -0.00665 -0.00430 145 3PZ 0.00005 -0.00093 -0.00080 0.00496 0.01380 146 4XX 0.00005 0.00004 -0.00002 -0.00012 0.00000 147 4YY 0.00002 -0.00006 0.00002 0.00033 0.00033 148 4ZZ -0.00004 0.00010 0.00001 -0.00055 -0.00111 149 4XY 0.00000 -0.00029 -0.00005 0.00128 0.00256 150 4XZ -0.00003 -0.00008 0.00005 0.00051 0.00036 151 4YZ -0.00001 0.00030 0.00005 -0.00126 -0.00282 152 18 H 1S -0.00026 0.00048 0.00011 -0.00241 -0.00501 153 2S -0.00035 0.00118 0.00027 -0.00705 -0.01208 154 19 H 1S 0.00011 0.00130 0.00010 -0.00511 -0.01065 155 2S -0.00020 0.00175 0.00041 -0.00977 -0.01718 156 20 H 1S -0.00014 -0.00044 -0.00009 0.00248 0.00447 157 2S 0.00005 -0.00083 -0.00029 0.00465 0.00591 158 21 H 1S 0.00045 -0.00073 -0.00012 0.00356 0.00648 159 2S 0.00022 -0.00062 -0.00042 0.00220 0.00730 160 22 O 1S 0.00020 -0.00011 -0.00014 0.00058 0.00121 161 2S -0.00047 0.00016 0.00015 -0.00069 -0.00104 162 2PX 0.00080 -0.00059 -0.00081 0.00313 0.01766 163 2PY -0.00022 0.00033 0.00016 -0.00275 -0.00414 164 2PZ -0.00112 0.00133 0.00077 -0.00693 -0.02058 165 3S -0.00093 0.00111 0.00109 -0.00618 -0.01248 166 3PX 0.00060 -0.00060 -0.00079 0.00336 0.01546 167 3PY -0.00006 0.00009 -0.00008 -0.00131 -0.00143 168 3PZ -0.00079 0.00109 0.00050 -0.00539 -0.01641 169 4XX -0.00004 -0.00003 -0.00003 0.00001 0.00042 170 4YY 0.00000 -0.00006 -0.00005 0.00039 0.00062 171 4ZZ 0.00004 -0.00004 -0.00005 0.00029 0.00048 172 4XY -0.00002 0.00002 0.00005 -0.00021 -0.00079 173 4XZ -0.00005 -0.00001 0.00001 -0.00001 -0.00008 174 4YZ 0.00005 0.00002 -0.00001 -0.00001 0.00007 175 23 O 1S -0.00014 0.00013 0.00001 -0.00177 -0.00270 176 2S 0.00034 -0.00031 0.00010 0.00218 0.00417 177 2PX -0.00076 0.00009 -0.00011 -0.00116 -0.00434 178 2PY -0.00014 -0.00041 -0.00023 0.00041 -0.00207 179 2PZ 0.00109 0.00039 0.00069 -0.00143 0.00442 180 3S 0.00080 -0.00116 -0.00073 0.01642 0.01705 181 3PX -0.00051 -0.00035 0.00011 -0.00081 -0.00079 182 3PY 0.00004 -0.00063 -0.00034 0.00446 0.00282 183 3PZ 0.00072 0.00109 0.00072 -0.00561 -0.00445 184 4XX 0.00001 -0.00016 0.00002 0.00021 0.00130 185 4YY 0.00003 0.00000 0.00004 -0.00032 -0.00042 186 4ZZ -0.00003 0.00024 0.00005 -0.00157 -0.00217 187 4XY -0.00004 0.00003 0.00002 -0.00023 -0.00037 188 4XZ 0.00007 -0.00005 -0.00001 0.00065 0.00047 189 4YZ 0.00006 -0.00007 0.00002 0.00028 0.00097 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.16994 0.16629 88 12 C 1S 0.00761 0.00792 2.05092 89 2S -0.01999 -0.01756 -0.05341 0.30682 90 2PX -0.02272 -0.04407 -0.00090 0.00094 0.41187 91 2PY 0.02939 0.05181 -0.00199 0.00122 0.00499 92 2PZ -0.00278 -0.00222 -0.00339 0.00249 -0.00313 93 3S -0.01940 -0.00379 -0.18587 0.27976 -0.00647 94 3PX -0.01473 -0.02328 -0.00226 0.00385 0.18595 95 3PY 0.01812 0.02464 0.00044 0.00253 -0.00076 96 3PZ -0.00845 -0.00581 -0.00163 0.00937 0.00744 97 4XX -0.00095 -0.00070 -0.01787 0.00019 0.01072 98 4YY 0.00174 -0.00149 -0.01551 -0.00514 0.00056 99 4ZZ 0.00161 0.00325 -0.01630 -0.00351 -0.01053 100 4XY -0.00761 -0.00741 -0.00056 0.00106 0.01582 101 4XZ -0.00092 -0.00198 0.00050 -0.00110 0.01494 102 4YZ -0.00178 -0.00143 -0.00140 0.00268 0.00003 103 13 H 1S 0.01701 0.03245 -0.05287 0.10196 -0.18021 104 2S 0.03047 0.04130 -0.00700 0.02105 -0.16491 105 14 H 1S -0.02780 -0.03452 -0.05306 0.10305 0.24407 106 2S -0.03452 -0.04557 -0.00470 0.02007 0.21325 107 15 C 1S 0.00189 0.00272 -0.00065 0.00137 0.00329 108 2S -0.00551 -0.00661 0.00156 -0.00373 -0.00908 109 2PX 0.00398 0.00748 -0.00190 0.00417 0.00788 110 2PY 0.00120 0.00477 -0.00001 -0.00041 -0.00185 111 2PZ -0.00844 -0.00091 0.00281 -0.00423 -0.01835 112 3S -0.00814 -0.01073 0.00356 -0.00478 -0.01119 113 3PX -0.00445 -0.00291 0.00052 -0.00167 -0.00734 114 3PY -0.00432 -0.00731 -0.00086 0.00110 0.00496 115 3PZ -0.00992 0.00070 0.00190 -0.00207 -0.01921 116 4XX 0.00060 0.00160 -0.00032 0.00025 0.00064 117 4YY 0.00010 0.00113 -0.00006 0.00027 0.00022 118 4ZZ -0.00050 -0.00256 0.00026 -0.00041 -0.00038 119 4XY 0.00027 0.00147 -0.00015 0.00060 0.00009 120 4XZ -0.00039 -0.00094 0.00001 -0.00004 -0.00050 121 4YZ -0.00016 -0.00313 0.00031 -0.00062 -0.00027 122 16 C 1S 0.00211 0.00286 -0.00135 0.00331 0.00010 123 2S -0.00547 -0.00626 0.00251 -0.00446 -0.00034 124 2PX 0.01758 0.01629 -0.00749 0.01643 -0.00553 125 2PY 0.00282 0.00554 -0.00026 0.00225 -0.00294 126 2PZ -0.01903 -0.03806 0.00676 -0.01383 0.00340 127 3S -0.00477 -0.01425 0.00525 -0.02179 -0.00053 128 3PX 0.02014 0.02387 -0.00501 0.00780 -0.01195 129 3PY 0.00650 0.00532 -0.00098 -0.00160 -0.00919 130 3PZ -0.01303 -0.02557 0.00473 -0.01516 0.00205 131 4XX -0.00031 -0.00458 0.00003 0.00002 -0.00010 132 4YY 0.00002 0.00153 -0.00008 0.00002 -0.00039 133 4ZZ 0.00078 0.00305 -0.00049 0.00104 0.00049 134 4XY -0.00019 -0.00010 -0.00020 0.00069 0.00069 135 4XZ -0.00020 0.00037 0.00000 -0.00019 -0.00064 136 4YZ 0.00044 -0.00013 0.00011 -0.00086 -0.00045 137 17 C 1S 0.00009 -0.00157 -0.00160 0.00237 0.00275 138 2S 0.00017 0.00337 0.00232 -0.00724 -0.00839 139 2PX -0.00264 0.00526 -0.00601 0.01600 0.01449 140 2PY 0.00031 -0.00815 0.00138 -0.00411 -0.00285 141 2PZ 0.00231 -0.00187 0.00522 -0.01807 -0.01389 142 3S 0.00045 0.00730 0.00606 -0.00124 -0.00167 143 3PX -0.00973 -0.00637 -0.00470 0.01725 0.02393 144 3PY 0.00532 -0.00234 0.00098 -0.01047 -0.00749 145 3PZ 0.00139 0.00014 0.00664 -0.00698 -0.00779 146 4XX 0.00007 0.00073 -0.00063 0.00056 0.00092 147 4YY -0.00031 -0.00071 0.00003 -0.00028 -0.00017 148 4ZZ 0.00031 0.00002 -0.00062 0.00051 0.00050 149 4XY -0.00088 -0.00118 0.00037 -0.00055 0.00007 150 4XZ -0.00045 -0.00037 0.00066 -0.00101 -0.00114 151 4YZ 0.00090 0.00185 -0.00023 0.00046 -0.00049 152 18 H 1S 0.00266 0.00726 -0.00148 0.00243 0.00374 153 2S 0.00703 0.01618 -0.00291 0.00564 0.00935 154 19 H 1S 0.00507 0.01532 -0.00132 0.00099 -0.00111 155 2S 0.00721 0.01712 -0.00232 0.00125 -0.00626 156 20 H 1S -0.00257 -0.00622 0.00045 0.00109 0.00160 157 2S -0.00697 -0.01089 0.00048 0.00573 0.00505 158 21 H 1S -0.00402 -0.00757 0.00270 -0.00473 -0.00805 159 2S 0.00596 -0.00843 -0.00010 -0.00130 0.01067 160 22 O 1S -0.00029 -0.00186 -0.00055 0.00098 0.00448 161 2S 0.00059 0.00406 0.00228 -0.00251 -0.00961 162 2PX -0.00035 0.00767 -0.00379 0.01216 0.01821 163 2PY 0.00238 -0.00836 0.00114 0.00118 -0.00506 164 2PZ 0.00407 -0.00690 0.00311 -0.00876 -0.02211 165 3S 0.00245 0.01129 -0.00116 -0.00487 -0.02702 166 3PX 0.00061 0.00768 -0.00096 0.00699 0.01208 167 3PY 0.00185 -0.00727 0.00086 0.00248 0.00199 168 3PZ 0.00296 -0.00400 0.00116 -0.00346 -0.01266 169 4XX 0.00050 0.00018 0.00046 -0.00072 -0.00018 170 4YY -0.00015 0.00006 0.00040 -0.00042 -0.00023 171 4ZZ -0.00026 -0.00050 0.00021 0.00056 0.00142 172 4XY -0.00004 -0.00018 0.00008 -0.00060 -0.00078 173 4XZ -0.00001 0.00031 0.00030 -0.00048 -0.00179 174 4YZ 0.00004 0.00058 -0.00031 0.00067 0.00146 175 23 O 1S 0.00248 -0.00390 0.00035 -0.00090 -0.00001 176 2S -0.00571 0.00520 -0.00036 0.00121 0.00059 177 2PX 0.00293 -0.03405 0.00404 -0.00894 0.00208 178 2PY 0.00146 -0.03726 0.00108 -0.00204 -0.00350 179 2PZ -0.00480 0.06462 -0.00486 0.01105 0.00420 180 3S -0.01334 0.00935 -0.00302 0.00783 -0.00133 181 3PX -0.00015 -0.02980 0.00391 -0.00956 0.00212 182 3PY -0.00175 -0.02634 0.00036 -0.00118 -0.00402 183 3PZ -0.00079 0.04875 -0.00479 0.00936 0.00351 184 4XX -0.00054 0.00006 0.00039 -0.00038 0.00086 185 4YY -0.00055 -0.00276 0.00020 -0.00039 -0.00015 186 4ZZ 0.00098 0.00098 0.00013 0.00006 -0.00014 187 4XY 0.00014 -0.00087 0.00012 -0.00032 0.00017 188 4XZ -0.00117 -0.00114 -0.00004 0.00003 -0.00017 189 4YZ -0.00064 0.00220 -0.00012 0.00006 -0.00007 91 92 93 94 95 91 2PY 0.38124 92 2PZ 0.00574 0.38896 93 3S -0.00793 -0.02478 0.30210 94 3PX 0.00355 0.00071 -0.00137 0.08585 95 3PY 0.17352 0.00966 -0.00729 0.00186 0.08588 96 3PZ 0.00608 0.17988 -0.00699 0.00654 0.00766 97 4XX 0.01029 0.01115 -0.00035 0.00492 0.00456 98 4YY -0.01508 -0.00103 -0.00513 0.00020 -0.00601 99 4ZZ 0.00819 -0.00580 -0.00015 -0.00477 0.00318 100 4XY 0.00029 -0.00039 0.00117 0.00724 -0.00004 101 4XZ 0.00053 -0.01187 -0.00235 0.00665 -0.00025 102 4YZ 0.00068 0.01284 0.00250 0.00016 0.00092 103 13 H 1S 0.08045 0.17921 0.09108 -0.07906 0.04180 104 2S 0.06622 0.15935 0.01901 -0.07320 0.03400 105 14 H 1S 0.09284 0.06748 0.08095 0.11188 0.04140 106 2S 0.07583 0.05573 -0.00680 0.09433 0.02999 107 15 C 1S 0.00005 0.00042 0.00215 0.00092 0.00061 108 2S 0.00032 -0.00083 -0.00212 -0.00275 -0.00100 109 2PX -0.00096 0.00238 0.00324 0.00254 0.00028 110 2PY 0.00005 -0.00246 0.00568 -0.00021 -0.00102 111 2PZ -0.00433 -0.00495 -0.01753 -0.00968 -0.00548 112 3S -0.00019 -0.00241 -0.00295 -0.00371 -0.00052 113 3PX 0.00476 0.00093 -0.00221 -0.00299 0.00296 114 3PY 0.00071 -0.00067 0.00041 -0.00015 -0.00061 115 3PZ -0.00415 -0.00710 -0.00572 -0.01057 -0.00459 116 4XX -0.00036 0.00001 0.00118 -0.00002 -0.00041 117 4YY -0.00026 -0.00012 -0.00037 -0.00006 -0.00036 118 4ZZ 0.00035 -0.00005 -0.00068 0.00030 0.00068 119 4XY 0.00014 -0.00029 0.00087 0.00002 0.00095 120 4XZ -0.00006 0.00002 0.00079 -0.00006 0.00017 121 4YZ -0.00019 0.00046 -0.00190 -0.00109 -0.00100 122 16 C 1S -0.00131 -0.00447 0.00485 -0.00199 0.00085 123 2S 0.00181 0.00621 -0.00903 0.00102 -0.00100 124 2PX -0.00836 -0.02316 0.04192 -0.01623 -0.00750 125 2PY -0.00296 0.00042 -0.00883 -0.00246 -0.00146 126 2PZ 0.00670 0.01780 -0.03612 0.00601 0.01048 127 3S 0.00380 0.04389 -0.04200 0.00318 0.00214 128 3PX -0.01242 -0.01016 0.02839 -0.01262 -0.00969 129 3PY -0.00419 0.00923 -0.00535 -0.00702 -0.00077 130 3PZ 0.00047 0.02307 -0.03138 0.00618 0.00395 131 4XX 0.00020 -0.00037 -0.00109 -0.00048 0.00025 132 4YY -0.00053 0.00052 0.00032 0.00016 -0.00050 133 4ZZ -0.00051 -0.00123 0.00204 0.00013 -0.00008 134 4XY 0.00008 -0.00080 0.00000 0.00060 0.00040 135 4XZ -0.00001 0.00047 0.00124 -0.00079 -0.00020 136 4YZ -0.00028 0.00108 0.00020 0.00027 -0.00075 137 17 C 1S -0.00037 -0.00219 0.00255 0.00447 -0.00152 138 2S -0.00112 0.01167 -0.00748 -0.00430 -0.00070 139 2PX -0.00147 -0.01969 0.01136 0.01166 0.00823 140 2PY 0.00184 0.00129 0.00173 -0.00523 0.00237 141 2PZ -0.00169 0.01865 -0.00089 0.00415 -0.00976 142 3S 0.00813 -0.01872 0.00821 -0.00074 0.00022 143 3PX -0.00042 -0.03174 0.00614 0.01151 0.00630 144 3PY -0.00131 0.02065 -0.01295 -0.00524 -0.00020 145 3PZ 0.00013 0.00120 0.00619 -0.00038 -0.00482 146 4XX -0.00003 -0.00036 0.00265 0.00163 0.00103 147 4YY -0.00039 0.00086 -0.00173 -0.00055 -0.00030 148 4ZZ -0.00048 -0.00154 0.00032 -0.00056 -0.00096 149 4XY 0.00037 0.00068 -0.00252 0.00074 0.00040 150 4XZ -0.00007 0.00209 -0.00127 -0.00019 -0.00011 151 4YZ -0.00025 -0.00104 0.00140 -0.00029 -0.00086 152 18 H 1S -0.00104 0.00045 0.00559 0.00051 -0.00112 153 2S -0.00523 -0.00186 0.00914 0.00123 -0.00425 154 19 H 1S -0.00171 -0.00124 0.01424 0.00070 -0.00473 155 2S -0.00757 -0.00090 0.01824 -0.00230 -0.00674 156 20 H 1S 0.00109 -0.00103 -0.00629 -0.00653 0.00366 157 2S -0.00098 -0.00801 -0.00090 -0.00371 0.00288 158 21 H 1S 0.00102 -0.00060 -0.01212 -0.00232 -0.00035 159 2S 0.00203 0.00672 -0.00944 0.00804 0.00285 160 22 O 1S 0.00124 -0.00164 0.00837 0.00231 0.00265 161 2S -0.00340 0.00099 -0.01855 -0.00415 -0.00504 162 2PX 0.00614 -0.00593 0.01250 0.01346 0.01906 163 2PY -0.00451 -0.00074 -0.03111 -0.01810 -0.00894 164 2PZ -0.00844 -0.00282 -0.02062 -0.03043 -0.03008 165 3S -0.00435 0.01800 -0.02748 -0.01421 -0.00734 166 3PX 0.00447 -0.00653 0.00875 0.01046 0.01350 167 3PY -0.00334 -0.00534 -0.01881 -0.00959 -0.00611 168 3PZ -0.00584 -0.00685 -0.01344 -0.01984 -0.02006 169 4XX -0.00039 0.00000 -0.00045 -0.00034 -0.00079 170 4YY 0.00003 -0.00064 0.00149 0.00081 0.00051 171 4ZZ 0.00010 -0.00159 -0.00030 0.00048 0.00047 172 4XY -0.00045 0.00066 -0.00034 -0.00029 -0.00084 173 4XZ -0.00033 0.00045 -0.00070 -0.00073 0.00010 174 4YZ 0.00046 0.00005 0.00142 0.00148 0.00138 175 23 O 1S 0.00021 0.00074 -0.00140 0.00066 0.00032 176 2S -0.00149 -0.00001 0.00520 -0.00116 -0.00170 177 2PX -0.00085 0.00992 -0.02579 0.00457 -0.00796 178 2PY 0.00314 0.00004 -0.00375 -0.01138 0.00147 179 2PZ -0.00132 -0.00776 0.01643 0.00984 0.00790 180 3S 0.00365 -0.01229 0.00764 -0.00274 0.00055 181 3PX -0.00074 0.01197 -0.02367 0.00319 -0.00614 182 3PY 0.00359 -0.00176 -0.00329 -0.00885 0.00121 183 3PZ -0.00254 -0.00679 0.01702 0.00549 0.00421 184 4XX -0.00007 0.00102 -0.00092 0.00070 0.00017 185 4YY -0.00010 0.00069 -0.00005 -0.00042 -0.00011 186 4ZZ -0.00042 -0.00005 0.00064 -0.00017 -0.00046 187 4XY 0.00007 0.00049 -0.00066 0.00030 -0.00028 188 4XZ -0.00007 -0.00004 0.00026 -0.00021 -0.00025 189 4YZ -0.00019 0.00002 0.00011 0.00039 0.00016 96 97 98 99 100 96 3PZ 0.09074 97 4XX 0.00529 0.00113 98 4YY -0.00086 -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 -0.00508 0.00023 0.00007 -0.00033 0.00054 102 4YZ 0.00612 0.00042 -0.00025 -0.00018 0.00004 103 13 H 1S 0.08297 0.00243 -0.00576 0.00363 -0.00695 104 2S 0.07122 0.00131 -0.00434 0.00446 -0.00698 105 14 H 1S 0.03912 0.01149 -0.00486 -0.00663 0.01023 106 2S 0.02564 0.01044 -0.00282 -0.00648 0.00917 107 15 C 1S -0.00086 -0.00002 0.00007 -0.00007 0.00013 108 2S 0.00004 -0.00013 -0.00026 0.00031 -0.00022 109 2PX -0.00164 -0.00008 0.00029 -0.00045 0.00040 110 2PY -0.00025 -0.00010 0.00006 0.00004 -0.00023 111 2PZ 0.00069 -0.00011 0.00016 0.00025 -0.00062 112 3S 0.00040 -0.00031 -0.00036 0.00070 -0.00022 113 3PX 0.00092 -0.00023 -0.00004 0.00033 0.00002 114 3PY -0.00171 0.00022 0.00001 -0.00011 0.00030 115 3PZ -0.00645 -0.00043 0.00024 -0.00014 -0.00032 116 4XX -0.00132 0.00004 0.00000 -0.00014 0.00004 117 4YY -0.00059 -0.00002 0.00003 -0.00003 0.00002 118 4ZZ 0.00184 -0.00001 -0.00002 0.00014 -0.00004 119 4XY 0.00079 -0.00006 -0.00003 0.00009 0.00003 120 4XZ 0.00014 -0.00002 0.00000 0.00001 0.00000 121 4YZ -0.00153 0.00005 0.00004 -0.00005 -0.00003 122 16 C 1S -0.00127 -0.00017 0.00005 0.00010 0.00010 123 2S 0.00195 0.00043 -0.00014 -0.00004 0.00004 124 2PX -0.01813 -0.00142 0.00112 -0.00045 -0.00026 125 2PY 0.00012 0.00011 0.00098 -0.00111 -0.00047 126 2PZ 0.01475 0.00137 -0.00090 0.00048 0.00017 127 3S 0.02033 0.00139 0.00026 -0.00033 -0.00040 128 3PX -0.00941 -0.00147 0.00079 0.00014 -0.00082 129 3PY 0.00151 -0.00037 0.00090 -0.00036 -0.00055 130 3PZ 0.01530 0.00129 -0.00035 -0.00008 -0.00005 131 4XX -0.00021 0.00000 0.00006 0.00003 -0.00005 132 4YY 0.00046 0.00000 -0.00001 -0.00001 -0.00002 133 4ZZ -0.00077 -0.00004 -0.00001 -0.00004 0.00004 134 4XY -0.00015 0.00007 0.00012 -0.00024 0.00000 135 4XZ -0.00018 -0.00003 -0.00006 0.00009 0.00003 136 4YZ 0.00029 -0.00007 -0.00013 0.00020 -0.00001 137 17 C 1S -0.00310 -0.00041 0.00002 -0.00071 0.00011 138 2S 0.00600 0.00046 -0.00044 0.00039 -0.00043 139 2PX -0.00175 0.00106 0.00241 -0.00460 0.00026 140 2PY -0.00097 0.00006 -0.00090 0.00118 0.00006 141 2PZ 0.00681 -0.00135 -0.00246 0.00367 -0.00017 142 3S -0.00599 0.00009 -0.00193 0.00176 -0.00003 143 3PX -0.01038 0.00074 0.00187 -0.00344 0.00086 144 3PY 0.00826 0.00012 -0.00015 0.00076 -0.00052 145 3PZ -0.00124 -0.00115 -0.00175 0.00268 -0.00002 146 4XX 0.00221 -0.00015 -0.00006 0.00024 0.00009 147 4YY -0.00003 0.00004 0.00009 -0.00008 -0.00002 148 4ZZ -0.00250 0.00005 0.00005 -0.00017 0.00000 149 4XY 0.00077 0.00009 -0.00006 -0.00003 0.00001 150 4XZ 0.00054 0.00012 0.00001 -0.00016 -0.00005 151 4YZ -0.00121 -0.00013 0.00004 0.00000 0.00000 152 18 H 1S -0.00514 0.00001 0.00012 -0.00060 0.00026 153 2S -0.01008 0.00014 0.00038 -0.00132 0.00035 154 19 H 1S -0.00305 -0.00050 -0.00037 0.00053 0.00014 155 2S -0.00338 -0.00091 -0.00020 0.00066 -0.00005 156 20 H 1S -0.00270 0.00098 0.00039 -0.00090 -0.00011 157 2S -0.00756 0.00068 0.00064 -0.00135 0.00020 158 21 H 1S 0.00659 0.00011 -0.00020 0.00062 -0.00045 159 2S 0.01557 0.00053 -0.00023 0.00073 -0.00022 160 22 O 1S 0.00095 0.00014 -0.00007 0.00013 0.00014 161 2S -0.00118 -0.00029 0.00012 -0.00040 -0.00034 162 2PX 0.02775 -0.00092 -0.00022 0.00224 0.00076 163 2PY -0.01363 -0.00024 0.00054 0.00010 -0.00014 164 2PZ -0.04820 0.00025 0.00078 -0.00182 -0.00109 165 3S 0.00314 -0.00059 0.00044 -0.00016 -0.00080 166 3PX 0.01960 -0.00078 -0.00045 0.00192 0.00051 167 3PY -0.01099 -0.00013 0.00037 -0.00007 0.00004 168 3PZ -0.03601 0.00032 0.00083 -0.00189 -0.00072 169 4XX -0.00089 -0.00003 -0.00008 0.00010 -0.00001 170 4YY 0.00054 -0.00002 -0.00001 0.00000 -0.00003 171 4ZZ -0.00017 0.00005 0.00006 -0.00010 0.00003 172 4XY -0.00070 0.00005 0.00001 -0.00010 -0.00004 173 4XZ 0.00054 -0.00003 0.00002 0.00001 -0.00007 174 4YZ 0.00194 0.00000 0.00001 0.00001 0.00006 175 23 O 1S 0.00120 0.00004 -0.00004 -0.00007 -0.00020 176 2S -0.00313 -0.00018 0.00000 0.00014 0.00047 177 2PX 0.00206 0.00035 0.00056 0.00002 -0.00080 178 2PY -0.00662 -0.00002 -0.00024 0.00066 -0.00022 179 2PZ 0.00189 -0.00015 -0.00030 -0.00126 0.00112 180 3S -0.01043 -0.00035 0.00020 -0.00016 0.00093 181 3PX 0.00362 0.00055 0.00032 0.00000 -0.00060 182 3PY -0.00583 0.00000 -0.00020 0.00047 -0.00006 183 3PZ -0.00022 -0.00026 -0.00007 -0.00093 0.00079 184 4XX 0.00061 0.00007 -0.00005 -0.00002 0.00004 185 4YY 0.00010 0.00001 -0.00003 0.00003 0.00000 186 4ZZ 0.00006 -0.00005 0.00001 0.00004 -0.00004 187 4XY 0.00015 0.00001 0.00001 0.00001 -0.00002 188 4XZ -0.00019 -0.00001 -0.00001 0.00001 0.00005 189 4YZ 0.00026 0.00000 -0.00005 0.00000 0.00005 101 102 103 104 105 101 4XZ 0.00130 102 4YZ -0.00042 0.00091 103 13 H 1S -0.01312 0.00750 0.21529 104 2S -0.01252 0.00651 0.17308 0.15893 105 14 H 1S 0.00741 0.00360 -0.02500 -0.05205 0.21593 106 2S 0.00856 0.00244 -0.05356 -0.06141 0.16994 107 15 C 1S 0.00031 -0.00004 -0.00112 -0.00173 0.00189 108 2S -0.00060 0.00002 0.00309 0.00488 -0.00551 109 2PX 0.00058 -0.00003 -0.00253 -0.00484 0.00398 110 2PY -0.00013 -0.00015 -0.00028 -0.00067 -0.00120 111 2PZ -0.00055 -0.00015 0.00309 0.00346 -0.00844 112 3S -0.00098 0.00006 0.00385 0.00721 -0.00814 113 3PX -0.00021 0.00001 0.00343 0.00266 -0.00445 114 3PY 0.00028 -0.00003 -0.00247 -0.00303 0.00432 115 3PZ -0.00007 -0.00027 0.00143 -0.00121 -0.00992 116 4XX 0.00008 -0.00003 -0.00055 -0.00102 0.00060 117 4YY 0.00005 -0.00002 -0.00024 -0.00017 0.00010 118 4ZZ -0.00010 0.00005 0.00048 0.00083 -0.00050 119 4XY -0.00001 -0.00001 0.00017 -0.00030 -0.00027 120 4XZ -0.00002 0.00000 0.00018 0.00000 -0.00039 121 4YZ 0.00002 0.00002 -0.00005 0.00052 0.00016 122 16 C 1S 0.00018 -0.00019 -0.00124 -0.00321 0.00009 123 2S -0.00024 -0.00007 0.00104 0.00341 0.00017 124 2PX 0.00165 -0.00050 -0.00605 -0.02198 -0.00264 125 2PY 0.00062 -0.00021 -0.00206 -0.00740 -0.00031 126 2PZ -0.00135 0.00023 0.00384 0.01342 0.00231 127 3S -0.00187 0.00164 0.01568 0.02780 0.00045 128 3PX 0.00007 0.00037 0.00285 -0.00370 -0.00973 129 3PY -0.00044 0.00061 0.00665 0.00430 -0.00532 130 3PZ -0.00093 0.00080 0.00496 0.01380 0.00139 131 4XX 0.00004 0.00002 -0.00012 0.00000 0.00007 132 4YY -0.00006 -0.00002 0.00033 0.00033 -0.00031 133 4ZZ 0.00010 -0.00001 -0.00055 -0.00111 0.00031 134 4XY 0.00029 -0.00005 -0.00128 -0.00256 0.00088 135 4XZ -0.00008 -0.00005 0.00051 0.00036 -0.00045 136 4YZ -0.00030 0.00005 0.00126 0.00282 -0.00090 137 17 C 1S 0.00080 -0.00005 -0.00263 -0.00281 0.00211 138 2S -0.00161 0.00026 0.00805 0.01140 -0.00547 139 2PX 0.00571 -0.00064 -0.02530 -0.05155 0.01758 140 2PY -0.00109 0.00024 0.00457 0.00981 -0.00282 141 2PZ -0.00603 0.00063 0.02413 0.05074 -0.01903 142 3S -0.00100 -0.00124 -0.00338 0.00315 -0.00477 143 3PX 0.00534 -0.00131 -0.03165 -0.05085 0.02014 144 3PY -0.00189 0.00081 0.01292 0.02064 -0.00650 145 3PZ -0.00366 -0.00021 0.01169 0.02778 -0.01303 146 4XX -0.00014 0.00006 0.00042 0.00044 -0.00031 147 4YY 0.00004 -0.00002 -0.00006 -0.00015 0.00002 148 4ZZ 0.00017 -0.00005 -0.00121 -0.00139 0.00078 149 4XY -0.00001 0.00004 0.00009 0.00071 0.00019 150 4XZ -0.00002 0.00003 0.00067 0.00051 -0.00020 151 4YZ -0.00001 -0.00004 -0.00002 -0.00017 -0.00044 152 18 H 1S 0.00048 -0.00011 -0.00241 -0.00501 0.00266 153 2S 0.00118 -0.00027 -0.00705 -0.01208 0.00703 154 19 H 1S -0.00044 0.00009 0.00248 0.00447 -0.00257 155 2S -0.00083 0.00029 0.00465 0.00591 -0.00697 156 20 H 1S 0.00130 -0.00010 -0.00511 -0.01065 0.00507 157 2S 0.00175 -0.00041 -0.00977 -0.01718 0.00721 158 21 H 1S -0.00073 0.00012 0.00356 0.00648 -0.00402 159 2S -0.00062 0.00042 0.00220 0.00730 0.00596 160 22 O 1S 0.00013 -0.00001 -0.00177 -0.00270 0.00248 161 2S -0.00031 -0.00010 0.00218 0.00417 -0.00571 162 2PX 0.00009 0.00011 -0.00116 -0.00434 0.00293 163 2PY 0.00041 -0.00023 -0.00040 0.00207 -0.00146 164 2PZ 0.00039 -0.00069 -0.00143 0.00442 -0.00480 165 3S -0.00116 0.00073 0.01642 0.01705 -0.01334 166 3PX -0.00035 -0.00011 -0.00081 -0.00079 -0.00015 167 3PY 0.00063 -0.00034 -0.00446 -0.00282 0.00175 168 3PZ 0.00109 -0.00072 -0.00561 -0.00445 -0.00079 169 4XX -0.00016 -0.00002 0.00021 0.00130 -0.00054 170 4YY 0.00000 -0.00004 -0.00032 -0.00042 -0.00055 171 4ZZ 0.00024 -0.00005 -0.00157 -0.00217 0.00098 172 4XY -0.00003 0.00002 0.00023 0.00037 -0.00014 173 4XZ -0.00005 0.00001 0.00065 0.00047 -0.00117 174 4YZ 0.00007 0.00002 -0.00028 -0.00097 0.00064 175 23 O 1S -0.00011 0.00014 0.00058 0.00121 -0.00029 176 2S 0.00016 -0.00015 -0.00069 -0.00104 0.00059 177 2PX -0.00059 0.00081 0.00313 0.01766 -0.00035 178 2PY -0.00033 0.00016 0.00275 0.00414 -0.00238 179 2PZ 0.00133 -0.00077 -0.00693 -0.02058 0.00407 180 3S 0.00111 -0.00109 -0.00618 -0.01248 0.00245 181 3PX -0.00060 0.00079 0.00336 0.01546 0.00061 182 3PY -0.00009 -0.00008 0.00131 0.00143 -0.00185 183 3PZ 0.00109 -0.00050 -0.00539 -0.01641 0.00296 184 4XX -0.00003 0.00003 0.00001 0.00042 0.00050 185 4YY -0.00006 0.00005 0.00039 0.00062 -0.00015 186 4ZZ -0.00004 0.00005 0.00029 0.00048 -0.00026 187 4XY -0.00002 0.00005 0.00021 0.00079 0.00004 188 4XZ -0.00001 -0.00001 -0.00001 -0.00008 -0.00001 189 4YZ -0.00002 -0.00001 0.00001 -0.00007 -0.00004 106 107 108 109 110 106 2S 0.16629 107 15 C 1S 0.00272 2.04980 108 2S -0.00661 -0.06512 0.34291 109 2PX 0.00748 -0.01454 0.02587 0.42805 110 2PY -0.00477 0.00000 0.00000 0.00000 0.29269 111 2PZ -0.00091 -0.01514 0.02464 -0.04321 0.00000 112 3S -0.01073 -0.14988 0.26010 0.04455 0.00000 113 3PX -0.00291 -0.00856 0.01867 0.15540 0.00000 114 3PY 0.00731 0.00000 0.00000 0.00000 0.07096 115 3PZ 0.00070 -0.01236 0.02305 -0.00828 0.00000 116 4XX 0.00160 -0.01782 0.00026 0.02407 0.00000 117 4YY 0.00113 -0.01312 -0.01025 -0.01562 0.00000 118 4ZZ -0.00256 -0.01764 -0.00043 -0.01022 0.00000 119 4XY -0.00147 0.00000 0.00000 0.00000 -0.02088 120 4XZ -0.00094 0.00060 -0.00098 -0.01140 0.00000 121 4YZ 0.00313 0.00000 0.00000 0.00000 -0.02050 122 16 C 1S -0.00157 -0.00316 0.00672 -0.01114 -0.00217 123 2S 0.00337 0.00630 -0.01756 0.02806 0.00474 124 2PX 0.00526 0.00913 -0.02190 0.02079 0.03532 125 2PY 0.00815 0.01013 -0.03218 0.01614 -0.02089 126 2PZ -0.00187 0.00381 -0.01022 0.02271 0.03814 127 3S 0.00730 0.00669 -0.01117 0.04029 -0.01438 128 3PX -0.00637 0.00601 -0.01084 0.01473 0.02862 129 3PY 0.00234 0.00710 -0.01566 0.00224 -0.02780 130 3PZ 0.00014 0.00104 0.00196 0.01112 0.02414 131 4XX 0.00073 -0.00035 0.00108 -0.00362 0.00023 132 4YY -0.00071 0.00097 -0.00241 0.00310 0.00266 133 4ZZ 0.00002 -0.00113 0.00264 -0.00371 -0.00409 134 4XY 0.00118 -0.00146 0.00346 -0.00387 -0.00847 135 4XZ -0.00037 -0.00001 0.00075 -0.00315 -0.00029 136 4YZ -0.00185 -0.00168 0.00394 -0.00431 -0.00716 137 17 C 1S 0.00286 -0.00316 0.00672 -0.01114 0.00217 138 2S -0.00626 0.00630 -0.01756 0.02806 -0.00474 139 2PX 0.01629 0.00913 -0.02190 0.02079 -0.03532 140 2PY -0.00554 -0.01013 0.03218 -0.01614 -0.02089 141 2PZ -0.03806 0.00381 -0.01022 0.02271 -0.03815 142 3S -0.01425 0.00669 -0.01117 0.04029 0.01438 143 3PX 0.02387 0.00601 -0.01084 0.01473 -0.02862 144 3PY -0.00532 -0.00710 0.01566 -0.00224 -0.02780 145 3PZ -0.02557 0.00104 0.00196 0.01112 -0.02414 146 4XX -0.00458 -0.00035 0.00108 -0.00362 -0.00023 147 4YY 0.00153 0.00097 -0.00241 0.00310 -0.00266 148 4ZZ 0.00305 -0.00113 0.00264 -0.00371 0.00409 149 4XY 0.00010 0.00146 -0.00346 0.00387 -0.00847 150 4XZ 0.00037 -0.00001 0.00075 -0.00315 0.00029 151 4YZ 0.00013 0.00168 -0.00394 0.00431 -0.00716 152 18 H 1S 0.00726 -0.05970 0.12411 0.27099 0.00000 153 2S 0.01618 -0.01231 0.03560 0.21706 0.00000 154 19 H 1S -0.00622 -0.00735 0.02026 -0.01911 -0.03007 155 2S -0.01089 -0.00777 0.02246 -0.02697 -0.03201 156 20 H 1S 0.01532 -0.00735 0.02026 -0.01911 0.03007 157 2S 0.01712 -0.00777 0.02246 -0.02697 0.03202 158 21 H 1S -0.00757 -0.05992 0.12294 -0.07219 -0.00001 159 2S -0.00843 -0.01152 0.03386 -0.08281 0.00000 160 22 O 1S -0.00390 0.00354 -0.00182 0.01529 -0.02798 161 2S 0.00520 -0.00656 0.00256 -0.03725 0.06679 162 2PX -0.03405 -0.02523 0.05125 -0.05310 0.12286 163 2PY 0.03726 0.05976 -0.13129 0.13976 -0.21998 164 2PZ 0.06462 -0.02423 0.04941 -0.05327 0.13958 165 3S 0.00935 0.02100 -0.05475 -0.02476 0.03596 166 3PX -0.02980 -0.00730 0.01639 -0.03746 0.04929 167 3PY 0.02634 0.03520 -0.07588 0.08011 -0.13392 168 3PZ 0.04875 -0.00646 0.01412 -0.01331 0.06660 169 4XX 0.00006 0.00031 -0.00092 0.00985 -0.00249 170 4YY -0.00276 -0.00712 0.01322 -0.01103 0.01050 171 4ZZ 0.00098 0.00033 -0.00064 -0.00019 -0.00109 172 4XY 0.00087 0.00305 -0.00577 -0.00350 -0.00262 173 4XZ -0.00114 -0.00130 0.00169 0.00298 0.00092 174 4YZ -0.00220 0.00368 -0.00688 0.00514 -0.00522 175 23 O 1S -0.00186 0.00354 -0.00182 0.01529 0.02798 176 2S 0.00406 -0.00656 0.00256 -0.03725 -0.06678 177 2PX 0.00767 -0.02523 0.05125 -0.05310 -0.12286 178 2PY 0.00836 -0.05976 0.13129 -0.13976 -0.21997 179 2PZ -0.00690 -0.02423 0.04941 -0.05328 -0.13959 180 3S 0.01129 0.02100 -0.05475 -0.02476 -0.03596 181 3PX 0.00768 -0.00730 0.01639 -0.03746 -0.04929 182 3PY 0.00727 -0.03520 0.07588 -0.08011 -0.13391 183 3PZ -0.00400 -0.00646 0.01412 -0.01331 -0.06661 184 4XX 0.00018 0.00031 -0.00092 0.00985 0.00249 185 4YY 0.00006 -0.00712 0.01322 -0.01103 -0.01050 186 4ZZ -0.00050 0.00033 -0.00064 -0.00019 0.00109 187 4XY 0.00018 -0.00305 0.00577 0.00350 -0.00262 188 4XZ 0.00031 -0.00130 0.00169 0.00298 -0.00092 189 4YZ -0.00058 -0.00368 0.00688 -0.00514 -0.00522 111 112 113 114 115 111 2PZ 0.42487 112 3S 0.05595 0.23348 113 3PX -0.01404 0.01604 0.06207 114 3PY 0.00000 0.00000 0.00000 0.02606 115 3PZ 0.14519 0.02154 -0.00376 0.00000 0.06494 116 4XX -0.00911 0.00239 0.00681 0.00000 0.00048 117 4YY -0.01616 -0.01289 -0.00513 0.00000 -0.00463 118 4ZZ 0.02326 0.00319 -0.00205 0.00000 0.00357 119 4XY 0.00000 0.00000 0.00000 -0.00389 0.00000 120 4XZ -0.01234 -0.00369 -0.00377 0.00000 -0.00400 121 4YZ 0.00000 0.00000 0.00000 -0.00288 0.00000 122 16 C 1S -0.00867 0.00988 -0.00779 -0.00139 -0.00626 123 2S 0.02121 -0.01226 0.01317 0.00393 0.01180 124 2PX 0.03431 -0.04432 0.01209 0.03155 0.03283 125 2PY 0.02129 -0.05396 0.01700 -0.00044 0.02178 126 2PZ 0.00270 -0.00800 0.01128 0.03294 -0.00870 127 3S 0.03383 0.00698 0.01714 -0.00616 0.00195 128 3PX 0.02619 -0.01789 0.00544 0.00958 0.02106 129 3PY 0.00358 -0.02482 0.00311 -0.00233 0.01081 130 3PZ -0.00501 0.01202 0.00396 0.00880 -0.01370 131 4XX -0.00250 -0.00051 0.00005 0.00246 -0.00320 132 4YY 0.00292 -0.00182 0.00128 -0.00101 0.00132 133 4ZZ -0.00353 0.00211 -0.00287 -0.00153 0.00096 134 4XY -0.00433 0.00259 -0.00192 -0.00349 -0.00042 135 4XZ -0.00327 -0.00119 -0.00119 0.00166 0.00022 136 4YZ -0.00376 0.00486 -0.00177 -0.00356 -0.00290 137 17 C 1S -0.00866 0.00988 -0.00779 0.00139 -0.00626 138 2S 0.02121 -0.01226 0.01317 -0.00393 0.01180 139 2PX 0.03431 -0.04432 0.01209 -0.03155 0.03283 140 2PY -0.02129 0.05396 -0.01700 -0.00044 -0.02178 141 2PZ 0.00270 -0.00800 0.01128 -0.03294 -0.00871 142 3S 0.03383 0.00698 0.01714 0.00616 0.00195 143 3PX 0.02619 -0.01789 0.00544 -0.00958 0.02106 144 3PY -0.00358 0.02482 -0.00311 -0.00233 -0.01081 145 3PZ -0.00501 0.01202 0.00396 -0.00880 -0.01370 146 4XX -0.00250 -0.00051 0.00005 -0.00246 -0.00320 147 4YY 0.00292 -0.00182 0.00128 0.00101 0.00132 148 4ZZ -0.00353 0.00211 -0.00287 0.00153 0.00096 149 4XY 0.00433 -0.00259 0.00192 -0.00349 0.00042 150 4XZ -0.00327 -0.00119 -0.00119 -0.00166 0.00022 151 4YZ 0.00376 -0.00486 0.00177 -0.00356 0.00290 152 18 H 1S -0.06516 0.10660 0.09600 0.00000 -0.00314 153 2S -0.07285 0.03009 0.06961 0.00000 0.00211 154 19 H 1S -0.01936 0.02999 -0.01339 -0.02408 -0.00664 155 2S -0.03247 0.02717 -0.01775 -0.02345 -0.00698 156 20 H 1S -0.01936 0.02999 -0.01339 0.02408 -0.00664 157 2S -0.03247 0.02717 -0.01775 0.02345 -0.00698 158 21 H 1S 0.26773 0.11640 -0.01756 0.00000 0.08283 159 2S 0.21788 0.04307 -0.01695 0.00000 0.04488 160 22 O 1S 0.01502 0.02924 -0.00403 -0.00234 -0.00333 161 2S -0.03599 -0.07390 0.00862 0.00202 0.00686 162 2PX -0.05823 0.03114 0.00240 0.04748 -0.06073 163 2PY 0.14523 -0.09641 0.05244 -0.01937 0.05204 164 2PZ -0.05264 0.02271 -0.04080 0.06256 0.03541 165 3S -0.02664 -0.13767 0.01708 -0.00630 0.01928 166 3PX -0.01733 0.00867 0.00190 0.02067 -0.03708 167 3PY 0.08592 -0.05610 0.03030 -0.00872 0.03010 168 3PZ -0.03965 -0.00200 -0.02003 0.03359 0.02610 169 4XX 0.00036 0.00126 0.00281 -0.00039 0.00025 170 4YY -0.01121 0.00987 -0.00395 0.00111 -0.00408 171 4ZZ 0.00932 0.00118 -0.00003 0.00049 0.00221 172 4XY 0.00410 -0.00446 -0.00214 -0.00188 0.00299 173 4XZ 0.00265 0.00061 0.00170 -0.00024 0.00123 174 4YZ -0.00219 -0.00523 0.00267 -0.00254 -0.00263 175 23 O 1S 0.01502 0.02924 -0.00403 0.00234 -0.00333 176 2S -0.03599 -0.07390 0.00862 -0.00203 0.00686 177 2PX -0.05824 0.03114 0.00240 -0.04748 -0.06073 178 2PY -0.14524 0.09641 -0.05244 -0.01937 -0.05204 179 2PZ -0.05265 0.02272 -0.04081 -0.06257 0.03540 180 3S -0.02664 -0.13767 0.01708 0.00630 0.01928 181 3PX -0.01733 0.00867 0.00190 -0.02067 -0.03708 182 3PY -0.08593 0.05610 -0.03030 -0.00872 -0.03010 183 3PZ -0.03965 -0.00200 -0.02003 -0.03359 0.02610 184 4XX 0.00036 0.00126 0.00281 0.00039 0.00025 185 4YY -0.01121 0.00987 -0.00395 -0.00111 -0.00408 186 4ZZ 0.00932 0.00118 -0.00003 -0.00049 0.00221 187 4XY -0.00410 0.00446 0.00214 -0.00188 -0.00299 188 4XZ 0.00265 0.00062 0.00170 0.00024 0.00123 189 4YZ 0.00219 0.00523 -0.00267 -0.00254 0.00263 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00124 0.00343 118 4ZZ -0.00166 -0.00138 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ -0.00011 0.00051 -0.00014 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 0.00102 0.00000 122 16 C 1S -0.00162 0.00217 -0.00094 -0.00103 -0.00005 123 2S 0.00400 -0.00464 0.00176 0.00239 0.00046 124 2PX 0.00735 -0.00888 0.00479 0.00015 0.00444 125 2PY -0.00167 0.00517 -0.00206 0.00067 0.00026 126 2PZ 0.00611 -0.00718 0.00340 0.00422 0.00260 127 3S 0.00033 -0.00421 0.00360 0.00110 -0.00244 128 3PX 0.00299 -0.00355 0.00141 -0.00345 0.00084 129 3PY 0.00046 0.00211 -0.00190 0.00190 0.00049 130 3PZ 0.00146 -0.00332 0.00199 -0.00079 0.00027 131 4XX -0.00073 -0.00023 0.00112 -0.00018 0.00044 132 4YY -0.00007 0.00019 -0.00013 -0.00054 -0.00030 133 4ZZ 0.00058 0.00040 -0.00110 0.00069 0.00005 134 4XY 0.00016 0.00003 -0.00034 0.00038 0.00031 135 4XZ 0.00060 -0.00024 -0.00016 0.00063 0.00052 136 4YZ -0.00033 -0.00008 0.00022 -0.00005 0.00015 137 17 C 1S -0.00162 0.00217 -0.00094 0.00103 -0.00005 138 2S 0.00400 -0.00464 0.00176 -0.00239 0.00046 139 2PX 0.00735 -0.00888 0.00479 -0.00015 0.00444 140 2PY 0.00167 -0.00517 0.00206 0.00067 -0.00026 141 2PZ 0.00611 -0.00718 0.00340 -0.00422 0.00260 142 3S 0.00033 -0.00421 0.00360 -0.00110 -0.00244 143 3PX 0.00299 -0.00355 0.00141 0.00345 0.00084 144 3PY -0.00046 -0.00211 0.00190 0.00190 -0.00049 145 3PZ 0.00146 -0.00332 0.00199 0.00079 0.00027 146 4XX -0.00073 -0.00023 0.00112 0.00018 0.00044 147 4YY -0.00007 0.00019 -0.00013 0.00054 -0.00030 148 4ZZ 0.00058 0.00040 -0.00110 -0.00069 0.00005 149 4XY -0.00016 -0.00003 0.00034 0.00038 -0.00031 150 4XZ 0.00060 -0.00024 -0.00016 -0.00063 0.00052 151 4YZ 0.00033 0.00008 -0.00022 -0.00005 -0.00015 152 18 H 1S 0.02033 -0.01191 -0.01176 0.00000 -0.00523 153 2S 0.02111 -0.00689 -0.01530 0.00000 -0.00337 154 19 H 1S -0.00057 0.00081 -0.00195 0.00002 -0.00069 155 2S 0.00090 0.00129 -0.00371 -0.00015 0.00044 156 20 H 1S -0.00057 0.00081 -0.00195 -0.00002 -0.00069 157 2S 0.00090 0.00129 -0.00371 0.00015 0.00044 158 21 H 1S -0.01122 -0.01263 0.02042 0.00000 -0.00575 159 2S -0.01622 -0.00903 0.02417 0.00000 -0.00384 160 22 O 1S 0.00248 -0.00616 0.00216 0.00391 -0.00149 161 2S -0.00540 0.01471 -0.00417 -0.00924 0.00368 162 2PX -0.02408 0.01377 0.00781 0.00690 -0.00134 163 2PY -0.00102 0.00405 -0.00109 0.01985 -0.01286 164 2PZ 0.00833 0.01598 -0.02693 -0.01748 -0.00132 165 3S -0.00775 0.02322 -0.00867 -0.00750 0.00155 166 3PX -0.01644 0.00749 0.00798 0.00701 -0.00098 167 3PY -0.00129 0.00300 -0.00069 0.01253 -0.00776 168 3PZ 0.00819 0.00990 -0.01914 -0.01068 -0.00087 169 4XX 0.00094 -0.00058 -0.00039 -0.00007 -0.00035 170 4YY -0.00003 -0.00031 0.00013 -0.00082 0.00098 171 4ZZ -0.00048 -0.00042 0.00081 0.00036 -0.00037 172 4XY 0.00079 -0.00053 -0.00004 -0.00053 0.00029 173 4XZ 0.00011 -0.00031 0.00027 -0.00012 -0.00004 174 4YZ -0.00001 -0.00060 0.00083 0.00065 0.00020 175 23 O 1S 0.00248 -0.00616 0.00216 -0.00391 -0.00149 176 2S -0.00540 0.01471 -0.00417 0.00924 0.00368 177 2PX -0.02408 0.01377 0.00781 -0.00690 -0.00134 178 2PY 0.00102 -0.00405 0.00110 0.01984 0.01286 179 2PZ 0.00833 0.01598 -0.02693 0.01749 -0.00132 180 3S -0.00775 0.02322 -0.00867 0.00750 0.00155 181 3PX -0.01644 0.00749 0.00798 -0.00701 -0.00098 182 3PY 0.00129 -0.00300 0.00069 0.01253 0.00776 183 3PZ 0.00819 0.00990 -0.01914 0.01068 -0.00087 184 4XX 0.00094 -0.00058 -0.00039 0.00007 -0.00035 185 4YY -0.00003 -0.00031 0.00013 0.00082 0.00098 186 4ZZ -0.00048 -0.00042 0.00081 -0.00036 -0.00037 187 4XY -0.00079 0.00053 0.00004 -0.00053 -0.00029 188 4XZ 0.00011 -0.00031 0.00027 0.00012 -0.00004 189 4YZ 0.00001 0.00060 -0.00083 0.00065 -0.00020 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S -0.00012 -0.06339 0.33288 124 2PX 0.00418 0.01203 -0.01861 0.34621 125 2PY 0.00250 -0.00506 0.01302 0.04015 0.43070 126 2PZ -0.00145 0.01511 -0.02721 -0.02221 0.02891 127 3S 0.00005 -0.17203 0.27248 -0.09835 -0.01737 128 3PX 0.00060 0.01878 -0.03665 0.16687 0.03758 129 3PY 0.00299 -0.00736 0.00397 0.05103 0.12294 130 3PZ -0.00241 0.00255 -0.01649 -0.08141 -0.01244 131 4XX 0.00103 -0.01177 -0.01308 0.01164 -0.00701 132 4YY -0.00052 -0.01725 -0.00101 -0.00623 0.01259 133 4ZZ -0.00027 -0.01571 -0.00410 -0.00184 -0.01309 134 4XY 0.00013 -0.00020 0.00034 -0.00113 0.00496 135 4XZ 0.00022 -0.00345 0.00809 0.01110 -0.00916 136 4YZ 0.00040 -0.00424 0.00860 -0.01262 -0.00768 137 17 C 1S 0.00000 0.01947 -0.04084 0.01341 -0.08014 138 2S 0.00012 -0.04084 0.07592 -0.02567 0.16581 139 2PX -0.00418 0.01341 -0.02567 0.16094 0.01945 140 2PY 0.00250 0.08014 -0.16581 -0.01944 -0.32464 141 2PZ 0.00145 -0.01090 0.01981 -0.09938 -0.03388 142 3S -0.00005 0.00180 0.02807 -0.06625 0.12945 143 3PX -0.00060 0.00344 -0.00368 0.09438 0.01941 144 3PY 0.00299 0.00105 -0.01885 -0.02433 -0.10079 145 3PZ 0.00240 -0.00661 0.01818 -0.06395 -0.03851 146 4XX -0.00103 0.00325 -0.00759 -0.00048 -0.01313 147 4YY 0.00052 -0.00653 0.01193 0.00092 0.00799 148 4ZZ 0.00027 0.00346 -0.00793 0.00233 -0.01007 149 4XY 0.00013 -0.00007 0.00037 -0.01259 -0.00563 150 4XZ -0.00022 0.00133 -0.00307 0.00017 -0.00448 151 4YZ 0.00040 -0.00081 0.00171 0.00512 -0.00038 152 18 H 1S 0.00000 -0.00481 0.01265 0.02127 -0.00579 153 2S 0.00000 -0.00437 0.01311 0.04174 0.00554 154 19 H 1S -0.00063 -0.06820 0.13566 -0.06571 -0.16921 155 2S -0.00038 -0.02048 0.04650 -0.03958 -0.13845 156 20 H 1S 0.00063 0.01654 -0.03648 0.00832 -0.04030 157 2S 0.00038 0.02040 -0.04063 0.02370 -0.06419 158 21 H 1S 0.00000 -0.00289 0.00539 0.00914 -0.00538 159 2S 0.00000 -0.00328 0.00504 -0.00171 -0.00261 160 22 O 1S 0.00458 -0.00177 0.00495 0.00446 0.00162 161 2S -0.01106 0.00716 -0.01548 -0.01397 -0.01727 162 2PX -0.01703 -0.01256 0.02728 -0.07077 0.03230 163 2PY 0.02151 -0.02271 0.05458 0.02755 0.05834 164 2PZ 0.00888 0.00200 -0.00189 0.04870 0.05124 165 3S -0.00927 -0.00338 -0.00398 -0.01642 0.03056 166 3PX -0.01035 -0.00941 0.02046 -0.05944 0.01727 167 3PY 0.01360 -0.01410 0.03728 0.01911 0.03997 168 3PZ 0.00786 0.00235 -0.00387 0.04773 0.04115 169 4XX 0.00048 0.00027 0.00014 -0.00368 -0.00416 170 4YY -0.00102 0.00139 -0.00234 -0.00091 -0.00258 171 4ZZ 0.00007 0.00102 -0.00120 0.00256 -0.00250 172 4XY 0.00044 -0.00070 0.00154 0.00302 0.00608 173 4XZ -0.00032 -0.00006 0.00020 0.00117 0.00136 174 4YZ -0.00038 -0.00092 0.00213 0.00170 0.00473 175 23 O 1S -0.00458 0.00537 -0.00687 -0.02953 0.00841 176 2S 0.01106 -0.00988 0.01073 0.06594 -0.03094 177 2PX 0.01703 0.05683 -0.12361 -0.16694 0.10826 178 2PY 0.02152 -0.02548 0.05164 0.09861 -0.03172 179 2PZ -0.00887 0.03477 -0.06519 -0.17836 0.07010 180 3S 0.00927 0.01404 -0.02641 0.06861 0.04043 181 3PX 0.01035 0.02658 -0.06226 -0.10154 0.05728 182 3PY 0.01360 -0.01946 0.03878 0.07145 -0.02506 183 3PZ -0.00786 0.01512 -0.02655 -0.08266 0.04075 184 4XX -0.00048 -0.00369 0.00605 -0.00641 -0.00823 185 4YY 0.00102 -0.00126 0.00120 0.00465 -0.00050 186 4ZZ -0.00007 -0.00089 0.00060 0.00146 -0.00487 187 4XY 0.00044 0.00464 -0.00907 -0.00889 -0.00340 188 4XZ 0.00032 -0.00489 0.00780 0.00431 -0.00310 189 4YZ -0.00038 0.00277 -0.00504 -0.01129 -0.00410 126 127 128 129 130 126 2PZ 0.37882 127 3S -0.02415 0.30238 128 3PX -0.08370 -0.06511 0.10751 129 3PY -0.01636 0.00109 0.03278 0.05313 130 3PZ 0.16318 0.01251 -0.06592 -0.02381 0.09326 131 4XX 0.01131 -0.01110 0.00269 -0.00135 0.00336 132 4YY -0.00557 -0.00002 0.00019 0.00171 -0.00081 133 4ZZ -0.00482 -0.00313 -0.00075 -0.00225 -0.00239 134 4XY -0.01134 0.00070 0.00125 0.00301 -0.00445 135 4XZ 0.00702 0.00261 0.00148 -0.00128 -0.00019 136 4YZ -0.00937 0.01358 -0.00464 -0.00212 -0.00057 137 17 C 1S -0.01090 0.00180 0.00344 -0.00105 -0.00661 138 2S 0.01982 0.02807 -0.00368 0.01885 0.01818 139 2PX -0.09938 -0.06625 0.09438 0.02433 -0.06394 140 2PY 0.03386 -0.12945 -0.01941 -0.10079 0.03851 141 2PZ 0.11880 0.07405 -0.05076 -0.02188 0.08165 142 3S 0.07406 -0.02100 -0.03377 -0.01284 0.04415 143 3PX -0.05076 -0.03377 0.04459 0.01943 -0.04240 144 3PY 0.02187 0.01284 -0.01943 -0.02619 0.02098 145 3PZ 0.08165 0.04415 -0.04240 -0.02098 0.04847 146 4XX -0.00040 -0.00418 -0.00003 -0.00386 0.00090 147 4YY 0.00075 0.01064 -0.00134 0.00339 -0.00132 148 4ZZ -0.00379 -0.00858 0.00231 -0.00223 -0.00162 149 4XY 0.00419 0.00612 -0.00720 -0.00241 0.00480 150 4XZ -0.00034 -0.00378 0.00085 -0.00203 0.00145 151 4YZ -0.01435 0.00373 0.00559 0.00309 -0.00723 152 18 H 1S 0.01276 0.00898 0.01226 -0.00076 0.00419 153 2S 0.00480 -0.00497 0.02403 0.00972 -0.00720 154 19 H 1S -0.19077 0.13823 -0.01463 -0.04024 -0.06420 155 2S -0.15450 0.05310 0.00285 -0.02943 -0.05323 156 20 H 1S 0.00080 -0.06701 -0.00165 -0.02501 0.00188 157 2S 0.00813 -0.06604 0.00133 -0.02217 -0.00048 158 21 H 1S 0.00811 0.02075 0.00567 -0.00940 0.00565 159 2S 0.02480 0.03060 -0.00489 -0.01304 0.01770 160 22 O 1S 0.00858 -0.01912 -0.00040 -0.00866 0.00034 161 2S -0.01590 0.03953 -0.00018 0.01381 0.00415 162 2PX 0.04712 0.05189 -0.06279 -0.00293 0.01592 163 2PY 0.01345 0.11865 -0.01223 0.07006 -0.02567 164 2PZ -0.05768 -0.02257 0.04579 0.04206 -0.04494 165 3S -0.06696 0.06991 0.00818 0.04760 -0.02588 166 3PX 0.04762 0.04012 -0.05124 -0.00649 0.02008 167 3PY 0.01436 0.07833 -0.00943 0.04594 -0.01464 168 3PZ -0.05146 -0.02362 0.03962 0.03260 -0.03821 169 4XX 0.00503 0.00129 -0.00203 -0.00205 0.00335 170 4YY 0.00125 -0.00668 -0.00009 -0.00370 0.00190 171 4ZZ -0.00056 -0.00190 0.00056 -0.00107 -0.00081 172 4XY -0.00086 -0.00119 0.00307 0.00152 -0.00019 173 4XZ 0.00027 -0.00024 0.00084 -0.00009 0.00043 174 4YZ 0.00040 0.00089 0.00049 0.00056 0.00013 175 23 O 1S -0.02341 0.03365 0.00189 0.00926 0.00881 176 2S 0.05396 -0.08565 -0.00925 -0.02010 -0.02161 177 2PX -0.18560 -0.03606 -0.02843 0.01432 -0.03342 178 2PY 0.06629 0.06384 -0.00553 0.04341 0.00080 179 2PZ -0.08072 -0.07377 -0.06529 0.02437 -0.03147 180 3S 0.04687 -0.14502 -0.00221 -0.00576 -0.03622 181 3PX -0.09088 -0.00386 -0.02098 0.00217 -0.00671 182 3PY 0.04913 0.04535 -0.00213 0.02760 0.00143 183 3PZ -0.05659 -0.04401 -0.02602 0.01818 -0.02934 184 4XX 0.00739 0.00707 -0.00484 -0.00343 0.00474 185 4YY 0.00290 0.00255 0.00001 0.00238 0.00049 186 4ZZ -0.00969 0.00268 0.00309 -0.00096 -0.00347 187 4XY -0.01056 -0.00459 -0.00132 -0.00224 -0.00177 188 4XZ -0.00128 0.00512 0.00090 -0.00065 -0.00175 189 4YZ -0.00184 -0.00392 -0.00492 -0.00177 0.00035 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00081 0.00124 133 4ZZ -0.00057 -0.00025 0.00166 134 4XY -0.00068 0.00016 0.00042 0.00146 135 4XZ 0.00036 -0.00086 0.00048 -0.00038 0.00147 136 4YZ -0.00059 0.00001 0.00006 0.00045 -0.00023 137 17 C 1S 0.00325 -0.00653 0.00346 0.00007 0.00133 138 2S -0.00759 0.01193 -0.00793 -0.00037 -0.00307 139 2PX -0.00048 0.00092 0.00233 0.01259 0.00017 140 2PY 0.01313 -0.00799 0.01007 -0.00563 0.00448 141 2PZ -0.00040 0.00075 -0.00379 -0.00419 -0.00034 142 3S -0.00418 0.01065 -0.00858 -0.00612 -0.00378 143 3PX -0.00003 -0.00134 0.00231 0.00720 0.00085 144 3PY 0.00386 -0.00339 0.00223 -0.00241 0.00203 145 3PZ 0.00090 -0.00132 -0.00162 -0.00480 0.00145 146 4XX 0.00057 -0.00034 0.00024 0.00016 0.00000 147 4YY -0.00034 -0.00010 -0.00026 -0.00009 0.00023 148 4ZZ 0.00024 -0.00026 0.00074 -0.00004 0.00019 149 4XY -0.00016 0.00009 0.00004 0.00000 -0.00036 150 4XZ 0.00000 0.00023 0.00019 0.00036 0.00004 151 4YZ -0.00047 0.00007 0.00022 0.00055 -0.00017 152 18 H 1S -0.00346 0.00043 0.00137 0.00038 0.00037 153 2S -0.00561 0.00070 0.00374 0.00106 0.00177 154 19 H 1S -0.01030 -0.00133 0.00728 0.00491 0.00219 155 2S -0.00710 -0.00114 0.00780 0.00503 0.00106 156 20 H 1S 0.00286 0.00067 0.00200 -0.00225 0.00135 157 2S 0.00382 -0.00248 0.00396 -0.00105 0.00287 158 21 H 1S 0.00242 0.00013 -0.00360 -0.00183 -0.00183 159 2S 0.00650 0.00011 -0.00765 -0.00380 -0.00289 160 22 O 1S 0.00017 -0.00113 -0.00041 -0.00019 0.00019 161 2S -0.00013 0.00172 0.00103 0.00005 -0.00040 162 2PX 0.00181 -0.00322 -0.00312 -0.00571 -0.00061 163 2PY 0.00128 -0.00525 -0.00022 -0.00352 0.00129 164 2PZ -0.00149 -0.00191 0.00376 -0.00395 0.00219 165 3S -0.00333 0.00284 0.00163 0.00090 -0.00219 166 3PX 0.00099 -0.00167 -0.00235 -0.00407 -0.00033 167 3PY 0.00137 -0.00393 -0.00032 -0.00219 0.00114 168 3PZ -0.00132 -0.00071 0.00283 -0.00122 0.00133 169 4XX -0.00005 0.00009 -0.00001 -0.00046 0.00004 170 4YY 0.00012 0.00005 0.00004 0.00039 0.00013 171 4ZZ 0.00028 -0.00010 -0.00004 -0.00010 -0.00003 172 4XY -0.00034 0.00045 -0.00018 0.00033 -0.00009 173 4XZ -0.00007 0.00027 -0.00014 0.00002 -0.00007 174 4YZ -0.00012 0.00028 -0.00037 0.00037 -0.00016 175 23 O 1S -0.00408 0.00187 -0.00015 0.00472 -0.00482 176 2S 0.01019 -0.00417 0.00085 -0.01094 0.01112 177 2PX 0.00967 0.00837 -0.01393 0.00470 -0.02047 178 2PY 0.01247 -0.01669 0.00483 0.01114 0.01396 179 2PZ -0.02966 0.00734 0.02319 0.01508 -0.00360 180 3S 0.00915 -0.00037 -0.00055 -0.01372 0.00833 181 3PX 0.00838 0.00484 -0.01121 0.00028 -0.01239 182 3PY 0.00827 -0.01108 0.00301 0.00645 0.00952 183 3PZ -0.02041 0.00453 0.01586 0.00909 -0.00057 184 4XX -0.00053 -0.00009 0.00032 -0.00036 0.00026 185 4YY 0.00073 -0.00086 0.00021 0.00086 0.00067 186 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 187 4XY 0.00044 0.00033 -0.00031 0.00003 -0.00095 188 4XZ 0.00015 -0.00020 -0.00014 -0.00023 0.00045 189 4YZ -0.00104 0.00016 0.00112 0.00036 -0.00013 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00081 2.05255 138 2S -0.00171 -0.06339 0.33288 139 2PX -0.00512 0.01203 -0.01861 0.34621 140 2PY -0.00038 0.00506 -0.01302 -0.04015 0.43070 141 2PZ 0.01435 0.01511 -0.02721 -0.02221 -0.02891 142 3S -0.00373 -0.17203 0.27248 -0.09835 0.01737 143 3PX -0.00559 0.01878 -0.03665 0.16687 -0.03758 144 3PY 0.00309 0.00736 -0.00397 -0.05103 0.12294 145 3PZ 0.00723 0.00255 -0.01649 -0.08141 0.01243 146 4XX 0.00047 -0.01177 -0.01308 0.01164 0.00701 147 4YY -0.00007 -0.01725 -0.00101 -0.00623 -0.01259 148 4ZZ -0.00022 -0.01571 -0.00410 -0.00184 0.01309 149 4XY 0.00055 0.00020 -0.00034 0.00113 0.00496 150 4XZ 0.00017 -0.00345 0.00809 0.01110 0.00916 151 4YZ 0.00062 0.00424 -0.00860 0.01262 -0.00768 152 18 H 1S -0.00170 -0.00481 0.01265 0.02127 0.00579 153 2S -0.00353 -0.00437 0.01311 0.04174 -0.00554 154 19 H 1S 0.01375 0.01654 -0.03648 0.00832 0.04030 155 2S 0.00999 0.02040 -0.04063 0.02370 0.06419 156 20 H 1S -0.00732 -0.06820 0.13566 -0.06571 0.16922 157 2S -0.00649 -0.02048 0.04650 -0.03958 0.13845 158 21 H 1S 0.00070 -0.00289 0.00539 0.00914 0.00538 159 2S 0.00148 -0.00328 0.00504 -0.00171 0.00261 160 22 O 1S -0.00025 0.00537 -0.00687 -0.02953 -0.00841 161 2S 0.00048 -0.00988 0.01073 0.06594 0.03094 162 2PX -0.00497 0.05683 -0.12361 -0.16694 -0.10825 163 2PY -0.00300 0.02547 -0.05164 -0.09861 -0.03171 164 2PZ -0.00360 0.03477 -0.06519 -0.17836 -0.07010 165 3S 0.00023 0.01404 -0.02641 0.06861 -0.04044 166 3PX -0.00223 0.02658 -0.06226 -0.10154 -0.05728 167 3PY -0.00193 0.01946 -0.03878 -0.07145 -0.02506 168 3PZ -0.00308 0.01512 -0.02655 -0.08266 -0.04075 169 4XX 0.00020 -0.00369 0.00605 -0.00641 0.00823 170 4YY 0.00029 -0.00126 0.00120 0.00465 0.00050 171 4ZZ -0.00046 -0.00089 0.00060 0.00146 0.00487 172 4XY 0.00023 -0.00464 0.00907 0.00889 -0.00340 173 4XZ -0.00020 -0.00489 0.00780 0.00431 0.00310 174 4YZ -0.00002 -0.00277 0.00504 0.01130 -0.00410 175 23 O 1S 0.00418 -0.00177 0.00495 0.00446 -0.00162 176 2S -0.00916 0.00716 -0.01548 -0.01397 0.01727 177 2PX 0.01404 -0.01256 0.02728 -0.07077 -0.03230 178 2PY 0.00988 0.02271 -0.05458 -0.02755 0.05834 179 2PZ -0.00087 0.00200 -0.00189 0.04870 -0.05123 180 3S -0.01643 -0.00338 -0.00398 -0.01642 -0.03056 181 3PX 0.00876 -0.00941 0.02046 -0.05944 -0.01728 182 3PY 0.00552 0.01410 -0.03728 -0.01911 0.03997 183 3PZ -0.00239 0.00235 -0.00387 0.04773 -0.04115 184 4XX 0.00009 0.00027 0.00014 -0.00368 0.00416 185 4YY 0.00082 0.00139 -0.00234 -0.00091 0.00258 186 4ZZ 0.00035 0.00102 -0.00120 0.00256 0.00250 187 4XY 0.00054 0.00070 -0.00154 -0.00302 0.00608 188 4XZ 0.00007 -0.00006 0.00020 0.00117 -0.00136 189 4YZ 0.00011 0.00092 -0.00213 -0.00170 0.00473 141 142 143 144 145 141 2PZ 0.37882 142 3S -0.02415 0.30238 143 3PX -0.08371 -0.06511 0.10751 144 3PY 0.01636 -0.00109 -0.03277 0.05313 145 3PZ 0.16318 0.01251 -0.06592 0.02381 0.09327 146 4XX 0.01131 -0.01110 0.00269 0.00135 0.00336 147 4YY -0.00557 -0.00002 0.00019 -0.00171 -0.00081 148 4ZZ -0.00482 -0.00313 -0.00075 0.00225 -0.00239 149 4XY 0.01134 -0.00070 -0.00125 0.00301 0.00445 150 4XZ 0.00702 0.00261 0.00148 0.00128 -0.00019 151 4YZ 0.00937 -0.01358 0.00464 -0.00212 0.00057 152 18 H 1S 0.01276 0.00898 0.01226 0.00076 0.00419 153 2S 0.00480 -0.00497 0.02403 -0.00972 -0.00720 154 19 H 1S 0.00080 -0.06701 -0.00165 0.02501 0.00188 155 2S 0.00813 -0.06604 0.00133 0.02217 -0.00048 156 20 H 1S -0.19076 0.13823 -0.01463 0.04024 -0.06420 157 2S -0.15450 0.05310 0.00285 0.02943 -0.05323 158 21 H 1S 0.00811 0.02075 0.00567 0.00940 0.00565 159 2S 0.02480 0.03060 -0.00489 0.01304 0.01770 160 22 O 1S -0.02341 0.03365 0.00189 -0.00926 0.00881 161 2S 0.05396 -0.08565 -0.00925 0.02010 -0.02161 162 2PX -0.18561 -0.03606 -0.02843 -0.01432 -0.03342 163 2PY -0.06629 -0.06384 0.00554 0.04341 -0.00080 164 2PZ -0.08073 -0.07378 -0.06529 -0.02436 -0.03147 165 3S 0.04687 -0.14502 -0.00221 0.00576 -0.03622 166 3PX -0.09089 -0.00386 -0.02098 -0.00217 -0.00671 167 3PY -0.04913 -0.04535 0.00213 0.02760 -0.00143 168 3PZ -0.05659 -0.04402 -0.02602 -0.01818 -0.02934 169 4XX 0.00739 0.00707 -0.00484 0.00343 0.00474 170 4YY 0.00290 0.00255 0.00001 -0.00238 0.00049 171 4ZZ -0.00969 0.00268 0.00309 0.00096 -0.00347 172 4XY 0.01056 0.00459 0.00132 -0.00224 0.00177 173 4XZ -0.00128 0.00512 0.00090 0.00065 -0.00175 174 4YZ 0.00184 0.00392 0.00492 -0.00177 -0.00035 175 23 O 1S 0.00858 -0.01912 -0.00040 0.00866 0.00034 176 2S -0.01589 0.03953 -0.00018 -0.01381 0.00415 177 2PX 0.04712 0.05189 -0.06279 0.00293 0.01592 178 2PY -0.01345 -0.11865 0.01223 0.07006 0.02567 179 2PZ -0.05768 -0.02257 0.04579 -0.04205 -0.04494 180 3S -0.06696 0.06991 0.00818 -0.04760 -0.02588 181 3PX 0.04762 0.04012 -0.05124 0.00649 0.02008 182 3PY -0.01436 -0.07833 0.00943 0.04594 0.01465 183 3PZ -0.05146 -0.02362 0.03962 -0.03260 -0.03821 184 4XX 0.00503 0.00129 -0.00203 0.00205 0.00335 185 4YY 0.00125 -0.00668 -0.00009 0.00370 0.00190 186 4ZZ -0.00056 -0.00190 0.00056 0.00107 -0.00081 187 4XY 0.00086 0.00119 -0.00307 0.00152 0.00019 188 4XZ 0.00027 -0.00024 0.00084 0.00009 0.00043 189 4YZ -0.00040 -0.00089 -0.00049 0.00056 -0.00013 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00081 0.00124 148 4ZZ -0.00057 -0.00025 0.00166 149 4XY 0.00068 -0.00016 -0.00042 0.00146 150 4XZ 0.00036 -0.00086 0.00048 0.00038 0.00147 151 4YZ 0.00059 -0.00001 -0.00006 0.00045 0.00023 152 18 H 1S -0.00346 0.00043 0.00137 -0.00038 0.00037 153 2S -0.00561 0.00070 0.00374 -0.00106 0.00177 154 19 H 1S 0.00286 0.00066 0.00200 0.00225 0.00135 155 2S 0.00382 -0.00248 0.00396 0.00105 0.00287 156 20 H 1S -0.01030 -0.00133 0.00728 -0.00491 0.00219 157 2S -0.00710 -0.00114 0.00780 -0.00503 0.00106 158 21 H 1S 0.00242 0.00013 -0.00360 0.00183 -0.00183 159 2S 0.00650 0.00011 -0.00765 0.00380 -0.00289 160 22 O 1S -0.00408 0.00187 -0.00015 -0.00472 -0.00482 161 2S 0.01019 -0.00417 0.00085 0.01094 0.01112 162 2PX 0.00967 0.00837 -0.01393 -0.00470 -0.02047 163 2PY -0.01247 0.01669 -0.00483 0.01114 -0.01396 164 2PZ -0.02966 0.00734 0.02319 -0.01508 -0.00360 165 3S 0.00915 -0.00037 -0.00055 0.01372 0.00833 166 3PX 0.00838 0.00484 -0.01121 -0.00028 -0.01239 167 3PY -0.00827 0.01108 -0.00301 0.00645 -0.00951 168 3PZ -0.02041 0.00453 0.01586 -0.00909 -0.00057 169 4XX -0.00053 -0.00009 0.00032 0.00036 0.00026 170 4YY 0.00073 -0.00086 0.00021 -0.00086 0.00067 171 4ZZ -0.00006 0.00012 -0.00011 0.00000 -0.00029 172 4XY -0.00044 -0.00033 0.00031 0.00003 0.00095 173 4XZ 0.00015 -0.00020 -0.00014 0.00023 0.00045 174 4YZ 0.00104 -0.00016 -0.00112 0.00036 0.00013 175 23 O 1S 0.00017 -0.00113 -0.00041 0.00019 0.00019 176 2S -0.00013 0.00172 0.00103 -0.00005 -0.00040 177 2PX 0.00181 -0.00322 -0.00311 0.00571 -0.00061 178 2PY -0.00128 0.00525 0.00022 -0.00352 -0.00129 179 2PZ -0.00149 -0.00191 0.00376 0.00395 0.00219 180 3S -0.00333 0.00284 0.00163 -0.00090 -0.00219 181 3PX 0.00099 -0.00167 -0.00235 0.00407 -0.00033 182 3PY -0.00137 0.00393 0.00032 -0.00219 -0.00114 183 3PZ -0.00132 -0.00071 0.00284 0.00122 0.00133 184 4XX -0.00005 0.00009 -0.00001 0.00046 0.00004 185 4YY 0.00012 0.00005 0.00004 -0.00039 0.00013 186 4ZZ 0.00028 -0.00010 -0.00004 0.00010 -0.00003 187 4XY 0.00034 -0.00045 0.00018 0.00033 0.00009 188 4XZ -0.00007 0.00027 -0.00014 -0.00002 -0.00007 189 4YZ 0.00012 -0.00028 0.00037 0.00037 0.00016 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S 0.00170 0.22350 153 2S 0.00353 0.17399 0.16571 154 19 H 1S 0.00732 -0.00083 -0.00208 0.21549 155 2S 0.00649 0.00156 0.00583 0.15285 0.12396 156 20 H 1S -0.01375 -0.00083 -0.00208 -0.01120 -0.00665 157 2S -0.00999 0.00156 0.00583 -0.00665 0.00087 158 21 H 1S -0.00070 -0.04298 -0.08219 -0.00729 -0.01727 159 2S -0.00148 -0.08901 -0.12033 -0.01839 -0.03270 160 22 O 1S -0.00418 0.01026 0.00570 -0.00352 -0.00324 161 2S 0.00916 -0.02490 -0.01482 0.00990 0.00967 162 2PX -0.01404 -0.06499 -0.11691 -0.02878 -0.05948 163 2PY 0.00988 0.01387 0.03138 -0.01996 -0.04326 164 2PZ 0.00087 0.02890 0.07566 -0.00586 0.00656 165 3S 0.01643 -0.04016 -0.01085 0.01898 0.01364 166 3PX -0.00876 -0.05426 -0.08762 -0.02012 -0.04088 167 3PY 0.00553 0.00600 0.01561 -0.01569 -0.03098 168 3PZ 0.00239 0.03093 0.06848 -0.00329 0.00721 169 4XX -0.00009 0.00638 0.00588 -0.00004 0.00016 170 4YY -0.00082 -0.00047 -0.00281 0.00060 0.00204 171 4ZZ -0.00035 -0.00214 -0.00286 -0.00074 -0.00140 172 4XY 0.00054 -0.00191 0.00179 -0.00076 0.00066 173 4XZ -0.00007 0.00194 0.00098 -0.00092 -0.00084 174 4YZ 0.00011 -0.00018 -0.00080 -0.00110 -0.00143 175 23 O 1S 0.00025 0.01026 0.00570 0.01458 0.01571 176 2S -0.00048 -0.02490 -0.01482 -0.02981 -0.03188 177 2PX 0.00497 -0.06499 -0.11691 0.01401 0.01598 178 2PY -0.00300 -0.01387 -0.03138 0.01736 0.02196 179 2PZ 0.00360 0.02890 0.07566 0.04332 0.07308 180 3S -0.00023 -0.04016 -0.01085 -0.07740 -0.06865 181 3PX 0.00223 -0.05426 -0.08762 0.00237 -0.00175 182 3PY -0.00193 -0.00600 -0.01562 0.00923 0.01053 183 3PZ 0.00308 0.03093 0.06848 0.03206 0.04917 184 4XX -0.00020 0.00638 0.00588 0.00288 0.00109 185 4YY -0.00029 -0.00047 -0.00281 0.00091 0.00186 186 4ZZ 0.00046 -0.00214 -0.00286 0.00570 0.00403 187 4XY 0.00023 0.00191 -0.00179 0.00313 0.00327 188 4XZ 0.00020 0.00194 0.00098 0.00366 0.00123 189 4YZ -0.00002 0.00018 0.00080 0.00319 0.00428 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.15285 0.12396 158 21 H 1S -0.00729 -0.01727 0.22401 159 2S -0.01839 -0.03270 0.18439 0.19878 160 22 O 1S 0.01458 0.01571 0.00889 0.00532 2.07557 161 2S -0.02981 -0.03188 -0.02014 -0.01017 -0.17799 162 2PX 0.01401 0.01598 0.02515 0.08191 -0.01251 163 2PY -0.01736 -0.02197 0.01452 0.02791 -0.03973 164 2PZ 0.04332 0.07308 -0.07388 -0.15915 -0.00478 165 3S -0.07740 -0.06865 -0.04560 -0.02895 -0.24523 166 3PX 0.00237 -0.00175 0.02839 0.07369 -0.00938 167 3PY -0.00923 -0.01054 0.00975 0.01833 -0.02573 168 3PZ 0.03206 0.04917 -0.06367 -0.12026 -0.00453 169 4XX 0.00288 0.00109 -0.00188 -0.00272 -0.01520 170 4YY 0.00091 0.00186 0.00010 -0.00145 -0.01267 171 4ZZ 0.00570 0.00403 0.00617 0.00636 -0.01397 172 4XY -0.00313 -0.00327 -0.00032 -0.00176 0.00150 173 4XZ 0.00366 0.00123 0.00215 0.00178 -0.00372 174 4YZ -0.00319 -0.00428 -0.00169 0.00307 0.00139 175 23 O 1S -0.00352 -0.00324 0.00889 0.00532 0.00092 176 2S 0.00990 0.00967 -0.02014 -0.01017 -0.00175 177 2PX -0.02878 -0.05948 0.02515 0.08191 -0.00451 178 2PY 0.01996 0.04326 -0.01452 -0.02791 0.01105 179 2PZ -0.00586 0.00656 -0.07388 -0.15915 -0.00933 180 3S 0.01898 0.01364 -0.04560 -0.02895 -0.01294 181 3PX -0.02012 -0.04088 0.02839 0.07369 -0.00662 182 3PY 0.01569 0.03097 -0.00975 -0.01833 0.00453 183 3PZ -0.00329 0.00721 -0.06367 -0.12026 -0.01028 184 4XX -0.00004 0.00016 -0.00188 -0.00272 0.00031 185 4YY 0.00060 0.00204 0.00010 -0.00145 0.00035 186 4ZZ -0.00074 -0.00140 0.00617 0.00636 -0.00024 187 4XY 0.00076 -0.00066 0.00032 0.00176 -0.00079 188 4XZ -0.00092 -0.00084 0.00215 0.00178 0.00022 189 4YZ 0.00110 0.00143 0.00169 -0.00307 -0.00075 161 162 163 164 165 161 2S 0.50359 162 2PX 0.02850 0.64791 163 2PY 0.07464 0.02587 0.66561 164 2PZ 0.00376 -0.13783 0.04102 0.71651 165 3S 0.59250 0.04943 0.21999 0.05275 0.75618 166 3PX 0.02093 0.40599 0.03489 -0.15870 0.03229 167 3PY 0.04921 0.03538 0.42234 0.03769 0.14005 168 3PZ 0.00464 -0.14600 0.04619 0.46282 0.04137 169 4XX -0.00285 -0.01349 0.00530 0.00322 -0.00421 170 4YY -0.00833 0.00249 -0.04105 -0.00244 -0.01835 171 4ZZ -0.00547 0.00533 0.00589 -0.00731 -0.00646 172 4XY -0.00344 -0.02796 -0.00808 0.00450 -0.00490 173 4XZ 0.00792 -0.00237 -0.00090 -0.00743 0.00741 174 4YZ -0.00292 0.00402 -0.00308 -0.02923 -0.00413 175 23 O 1S -0.00175 -0.00451 -0.01104 -0.00933 -0.01294 176 2S 0.00434 0.00771 0.02888 0.01775 0.02675 177 2PX 0.00771 0.00552 -0.00092 -0.01625 0.03677 178 2PY -0.02888 0.00092 0.13550 0.00574 -0.05941 179 2PZ 0.01775 -0.01625 -0.00573 0.00705 0.07072 180 3S 0.02675 0.03677 0.05940 0.07073 0.08394 181 3PX 0.01437 0.00623 -0.00134 -0.00569 0.02852 182 3PY -0.01241 0.00192 0.10449 0.01085 -0.02904 183 3PZ 0.02059 -0.01000 -0.00174 0.01676 0.05953 184 4XX -0.00032 -0.00140 0.00226 -0.00269 -0.00148 185 4YY -0.00120 0.00051 -0.00223 0.00072 -0.00514 186 4ZZ 0.00068 -0.00158 0.00197 -0.00342 0.00135 187 4XY 0.00193 0.00037 -0.00332 -0.00069 0.00244 188 4XZ -0.00068 -0.00132 0.00299 -0.00072 -0.00058 189 4YZ 0.00177 -0.00020 -0.00194 0.00060 0.00257 166 167 168 169 170 166 3PX 0.26578 167 3PY 0.03226 0.26979 168 3PZ -0.13779 0.03459 0.30850 169 4XX -0.00785 0.00286 0.00301 0.00104 170 4YY 0.00029 -0.02560 -0.00326 -0.00033 0.00294 171 4ZZ 0.00401 0.00371 -0.00472 0.00002 -0.00023 172 4XY -0.01726 -0.00594 0.00506 0.00037 0.00030 173 4XZ -0.00077 -0.00087 -0.00424 0.00009 -0.00005 174 4YZ 0.00508 -0.00252 -0.01812 -0.00023 0.00015 175 23 O 1S -0.00662 -0.00453 -0.01028 0.00031 0.00035 176 2S 0.01437 0.01241 0.02059 -0.00032 -0.00120 177 2PX 0.00623 -0.00192 -0.01000 -0.00140 0.00051 178 2PY 0.00134 0.10449 0.00174 -0.00226 0.00223 179 2PZ -0.00569 -0.01084 0.01676 -0.00269 0.00072 180 3S 0.02852 0.02904 0.05953 -0.00148 -0.00514 181 3PX 0.00658 -0.00115 -0.00632 -0.00031 -0.00009 182 3PY 0.00115 0.07829 0.00618 -0.00118 0.00014 183 3PZ -0.00632 -0.00618 0.02065 -0.00184 -0.00021 184 4XX -0.00031 0.00118 -0.00183 0.00050 -0.00026 185 4YY -0.00009 -0.00014 -0.00021 -0.00026 0.00085 186 4ZZ -0.00074 0.00094 -0.00229 -0.00004 -0.00029 187 4XY -0.00008 -0.00244 -0.00041 0.00010 0.00011 188 4XZ -0.00070 0.00179 -0.00023 0.00005 -0.00015 189 4YZ 0.00036 -0.00155 0.00015 0.00000 0.00014 171 172 173 174 175 171 4ZZ 0.00079 172 4XY -0.00034 0.00161 173 4XZ 0.00011 0.00008 0.00045 174 4YZ 0.00019 0.00006 0.00028 0.00151 175 23 O 1S -0.00024 0.00079 0.00022 0.00075 2.07557 176 2S 0.00068 -0.00193 -0.00068 -0.00177 -0.17799 177 2PX -0.00158 -0.00037 -0.00132 0.00020 -0.01251 178 2PY -0.00197 -0.00332 -0.00299 -0.00194 0.03973 179 2PZ -0.00342 0.00069 -0.00072 -0.00060 -0.00478 180 3S 0.00135 -0.00244 -0.00058 -0.00257 -0.24523 181 3PX -0.00074 0.00008 -0.00070 -0.00036 -0.00938 182 3PY -0.00094 -0.00244 -0.00179 -0.00155 0.02573 183 3PZ -0.00229 0.00041 -0.00023 -0.00015 -0.00453 184 4XX -0.00004 -0.00010 0.00005 0.00000 -0.01520 185 4YY -0.00029 -0.00011 -0.00015 -0.00014 -0.01267 186 4ZZ 0.00025 0.00002 0.00008 0.00004 -0.01397 187 4XY -0.00002 -0.00029 0.00001 -0.00012 -0.00150 188 4XZ 0.00008 -0.00001 0.00004 0.00002 -0.00372 189 4YZ -0.00004 -0.00012 -0.00002 -0.00034 -0.00139 176 177 178 179 180 176 2S 0.50359 177 2PX 0.02850 0.64791 178 2PY -0.07464 -0.02587 0.66561 179 2PZ 0.00376 -0.13783 -0.04102 0.71651 180 3S 0.59250 0.04943 -0.21999 0.05274 0.75618 181 3PX 0.02093 0.40599 -0.03488 -0.15870 0.03229 182 3PY -0.04921 -0.03537 0.42234 -0.03769 -0.14005 183 3PZ 0.00464 -0.14600 -0.04619 0.46281 0.04137 184 4XX -0.00285 -0.01349 -0.00530 0.00322 -0.00421 185 4YY -0.00833 0.00249 0.04105 -0.00244 -0.01836 186 4ZZ -0.00547 0.00533 -0.00589 -0.00731 -0.00646 187 4XY 0.00344 0.02796 -0.00808 -0.00450 0.00490 188 4XZ 0.00792 -0.00237 0.00090 -0.00743 0.00741 189 4YZ 0.00292 -0.00402 -0.00308 0.02923 0.00413 181 182 183 184 185 181 3PX 0.26578 182 3PY -0.03226 0.26980 183 3PZ -0.13779 -0.03459 0.30850 184 4XX -0.00785 -0.00286 0.00301 0.00104 185 4YY 0.00029 0.02560 -0.00327 -0.00033 0.00294 186 4ZZ 0.00401 -0.00371 -0.00472 0.00002 -0.00023 187 4XY 0.01726 -0.00594 -0.00506 -0.00037 -0.00030 188 4XZ -0.00077 0.00087 -0.00424 0.00009 -0.00005 189 4YZ -0.00508 -0.00252 0.01812 0.00023 -0.00015 186 187 188 189 186 4ZZ 0.00079 187 4XY 0.00034 0.00161 188 4XZ 0.00011 -0.00008 0.00045 189 4YZ -0.00019 0.00006 -0.00028 0.00151 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05499 2 2S -0.01344 0.32633 3 2PX 0.00000 0.00000 0.35439 4 2PY 0.00000 0.00000 0.00000 0.41151 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 6 3S -0.03645 0.23612 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11189 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 0.09697 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 -0.00519 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 0.09692 0.00070 17 2S -0.00121 0.01237 0.00024 0.06456 0.00049 18 3 C 1S 0.00000 -0.00054 -0.00132 -0.00067 -0.00092 19 2S -0.00058 0.01134 0.02021 0.00937 0.01358 20 2PX -0.00143 0.02093 -0.00057 0.01826 0.03417 21 2PY -0.00062 0.00935 0.01791 -0.00036 0.00933 22 2PZ -0.00090 0.01263 0.03915 0.00746 0.00059 23 3S 0.00070 0.00574 0.00750 0.01238 0.00722 24 3PX -0.00061 0.01224 0.00367 0.00805 0.01437 25 3PY -0.00036 0.00249 0.01210 0.00131 0.00369 26 3PZ 0.00035 0.00196 0.01594 0.00065 0.00349 27 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 28 4YY 0.00001 -0.00046 -0.00034 -0.00027 -0.00033 29 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 30 4XY -0.00008 0.00083 0.00020 -0.00002 0.00121 31 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 32 4YZ -0.00007 0.00068 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 -0.00550 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 -0.00041 -0.00006 -0.00025 42 3PY 0.00010 -0.00274 0.00143 -0.00579 -0.00045 43 3PZ -0.00004 -0.00007 0.00025 0.00006 -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 -0.00019 -0.00012 -0.00024 -0.00095 70 2S -0.00020 0.00510 0.00225 0.00423 0.01884 71 2PX -0.00009 0.00177 0.00002 0.00094 0.00649 72 2PY -0.00019 0.00371 0.00070 -0.00061 0.01257 73 2PZ -0.00117 0.02397 0.00790 0.01390 0.04483 74 3S 0.00013 0.00692 0.00564 0.00982 0.01743 75 3PX -0.00008 0.00179 0.00000 0.00068 0.00365 76 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 77 3PZ -0.00127 0.01980 0.00425 0.00822 0.01549 78 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 79 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 80 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 81 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 82 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 83 4YZ -0.00005 0.00082 0.00023 0.00005 0.00129 84 10 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 85 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 86 11 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 87 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 90 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 91 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 92 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 93 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 94 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 95 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 96 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00001 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 0.00000 0.00000 102 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00001 0.00010 0.00023 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00009 0.00011 0.00015 0.00006 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 0.00000 0.00002 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 124 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 125 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 126 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 127 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 128 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 129 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 130 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 131 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 143 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 144 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 145 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 155 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00003 0.00003 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 181 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 182 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 183 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.30061 7 3PX 0.00000 0.12488 8 3PY 0.00000 0.00000 0.05321 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 0.00017 -0.00103 17 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 18 3 C 1S -0.00055 -0.00102 -0.00059 -0.00032 -0.00004 19 2S 0.01143 0.01276 0.00676 0.00386 0.00057 20 2PX 0.02145 0.00242 0.00702 0.01528 -0.00099 21 2PY 0.00590 0.00816 -0.00073 0.00376 0.00080 22 2PZ 0.01306 0.02060 0.00274 0.00259 0.00133 23 3S -0.01474 -0.00312 0.00540 0.00232 0.00123 24 3PX 0.01146 0.01823 0.00359 0.01266 -0.00161 25 3PY 0.00031 0.01057 0.00090 -0.00004 0.00080 26 3PZ 0.00069 0.01516 -0.00047 0.01140 0.00174 27 4XX 0.00113 -0.00122 0.00038 0.00142 -0.00002 28 4YY -0.00076 0.00008 -0.00056 -0.00054 -0.00003 29 4ZZ -0.00044 0.00087 -0.00013 -0.00080 0.00002 30 4XY 0.00045 0.00000 0.00002 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 -0.00394 0.00015 35 5 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 36 2S -0.00122 -0.00090 -0.00155 -0.00048 0.00000 37 2PX -0.00102 -0.00004 -0.00010 -0.00104 -0.00001 38 2PY -0.00147 -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 -0.00292 0.00027 -0.00242 -0.00013 42 3PY -0.00347 0.00394 -0.00164 -0.00328 -0.00004 43 3PZ -0.00043 -0.00051 -0.00011 -0.00241 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 -0.00138 0.00000 0.00001 58 3PX 0.00000 -0.00748 0.00000 0.00000 0.00000 59 3PY -0.00138 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 -0.00008 -0.00013 -0.00030 -0.00056 0.00000 70 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 71 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 72 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 73 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 74 3S 0.00013 0.00758 0.00649 -0.00033 -0.00076 75 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 76 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 77 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 78 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 79 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 80 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 81 4XY 0.00004 0.00005 0.00001 0.00003 0.00000 82 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 83 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 84 10 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 85 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 86 11 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 87 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 88 12 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 89 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 90 2PX -0.00011 -0.00004 0.00000 0.00005 0.00000 91 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 92 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 93 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 94 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 95 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 96 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 97 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 98 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 99 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 100 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 101 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 102 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 103 13 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 104 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 105 14 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 106 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 110 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 113 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 114 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 115 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 116 4XX -0.00001 -0.00001 -0.00001 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 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 123 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 124 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 125 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 126 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 127 3S 0.00126 0.00244 0.00172 0.00107 0.00037 128 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 129 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 130 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 131 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 132 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 133 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 134 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 135 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 138 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 139 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 140 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 141 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 142 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 143 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 144 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 145 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 146 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 147 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 148 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 149 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 150 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 151 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 154 19 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 155 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 156 20 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 157 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 158 21 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 159 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 162 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 166 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 167 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 168 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 177 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 178 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 179 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 180 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 181 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 182 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 183 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 184 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 185 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 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 0.00065 20 2PX -0.00024 0.00034 0.00030 0.00034 0.00116 21 2PY -0.00025 0.00013 -0.00003 0.00095 -0.00001 22 2PZ -0.00019 -0.00071 0.00116 0.00003 0.00009 23 3S -0.00158 0.00062 0.00021 0.00039 0.00020 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 0.00001 -0.00008 0.00000 -0.00002 -0.00004 70 2S -0.00028 0.00173 0.00008 0.00027 0.00071 71 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 72 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 73 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 74 3S -0.00147 0.00324 0.00007 0.00015 0.00037 75 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 76 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 77 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 78 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 79 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 80 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 81 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 82 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 83 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 85 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 86 11 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 87 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00000 0.00000 0.00001 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 94 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 95 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 96 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 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 -0.00002 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 0.00000 124 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 128 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 129 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 130 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 143 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 144 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 145 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00002 0.00003 0.00000 0.00002 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21714 17 2S 0.11577 0.16496 18 3 C 1S 0.00000 0.00019 2.05271 19 2S -0.00019 -0.00267 -0.01361 0.32496 20 2PX -0.00019 -0.00255 0.00000 0.00000 0.36896 21 2PY -0.00047 -0.00651 0.00000 0.00000 0.00000 22 2PZ -0.00007 -0.00039 0.00000 0.00000 0.00000 23 3S -0.00450 -0.01535 -0.02961 0.20116 0.00000 24 3PX -0.00158 -0.00582 0.00000 0.00000 0.10336 25 3PY -0.00036 -0.00203 0.00000 0.00000 0.00000 26 3PZ -0.00043 -0.00017 0.00000 0.00000 0.00000 27 4XX -0.00001 -0.00026 -0.00113 -0.00672 0.00000 28 4YY 0.00009 0.00097 -0.00134 -0.00219 0.00000 29 4ZZ -0.00001 -0.00025 -0.00127 -0.00380 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 0.00008 0.00000 0.00000 0.00000 33 4 H 1S -0.00001 -0.00105 -0.00198 0.03084 0.02436 34 2S -0.00104 -0.00589 -0.00120 0.01190 0.01601 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 0.00018 0.00000 0.00000 0.01910 42 3PY 0.00033 0.00392 -0.00172 0.02369 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 0.00016 0.00000 0.00000 0.00000 70 2S -0.00013 -0.00247 0.00000 -0.00004 -0.00005 71 2PX -0.00001 -0.00020 0.00000 -0.00007 0.00000 72 2PY -0.00028 -0.00446 0.00000 0.00000 0.00000 73 2PZ -0.00025 -0.00431 0.00000 -0.00017 -0.00033 74 3S -0.00400 -0.01623 0.00004 -0.00076 0.00005 75 3PX -0.00014 -0.00051 0.00004 -0.00064 0.00002 76 3PY -0.00097 -0.00527 0.00000 0.00004 0.00002 77 3PZ -0.00282 -0.00972 0.00012 -0.00216 -0.00313 78 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 79 4YY 0.00004 0.00065 0.00000 0.00000 0.00000 80 4ZZ -0.00001 -0.00038 0.00000 0.00000 0.00004 81 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 82 4XZ 0.00000 -0.00001 0.00000 0.00001 -0.00001 83 4YZ 0.00004 0.00010 0.00000 0.00000 0.00000 84 10 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 85 2S -0.00017 -0.00034 0.00000 -0.00006 0.00013 86 11 H 1S -0.00001 -0.00027 0.00000 0.00000 0.00000 87 2S -0.00039 -0.00001 0.00000 0.00015 -0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00006 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00029 0.00000 0.00000 -0.00002 92 2PZ 0.00000 0.00004 0.00000 -0.00001 0.00001 93 3S 0.00007 0.00130 0.00002 -0.00039 -0.00025 94 3PX 0.00000 0.00003 0.00000 -0.00005 0.00000 95 3PY 0.00023 0.00301 0.00001 -0.00022 -0.00053 96 3PZ 0.00000 0.00018 0.00002 -0.00032 0.00017 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 -0.00001 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00011 0.00000 0.00001 -0.00002 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 -0.00015 0.00000 0.00000 0.00001 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 -0.00001 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 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00009 0.00000 0.00000 -0.00002 124 2PX -0.00001 -0.00061 0.00000 -0.00002 -0.00008 125 2PY -0.00001 -0.00045 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00017 0.00000 0.00000 0.00000 127 3S -0.00055 -0.00323 0.00001 -0.00022 -0.00141 128 3PX -0.00060 -0.00284 0.00004 -0.00065 -0.00046 129 3PY 0.00020 0.00072 0.00000 0.00000 -0.00001 130 3PZ -0.00018 -0.00110 0.00000 -0.00006 -0.00019 131 4XX 0.00000 -0.00002 0.00000 0.00000 0.00001 132 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00001 0.00000 0.00000 -0.00003 140 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00001 0.00040 0.00000 -0.00005 -0.00055 143 3PX -0.00001 0.00008 0.00000 -0.00017 -0.00188 144 3PY 0.00003 0.00046 0.00000 -0.00002 0.00051 145 3PZ 0.00000 0.00007 0.00000 0.00000 -0.00014 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 -0.00011 0.00000 0.00000 -0.00001 155 2S -0.00011 -0.00016 0.00000 -0.00003 -0.00048 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00003 0.00000 0.00000 0.00011 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00002 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00026 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00011 0.00000 0.00000 0.00001 182 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 184 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PY 0.41335 22 2PZ 0.00000 0.39023 23 3S 0.00000 0.00000 0.25009 24 3PX 0.00000 0.00000 0.00000 0.12000 25 3PY 0.07887 0.00000 0.00000 0.00000 0.06237 26 3PZ 0.00000 0.09567 0.00000 0.00000 0.00000 27 4XX 0.00000 0.00000 -0.00354 0.00000 0.00000 28 4YY 0.00000 0.00000 -0.00196 0.00000 0.00000 29 4ZZ 0.00000 0.00000 -0.00155 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 0.02406 0.04948 0.04347 0.00828 0.01001 34 2S 0.01556 0.03425 0.03825 0.00516 0.00740 35 5 C 1S -0.00258 0.00000 -0.00027 0.00000 -0.00172 36 2S 0.04008 0.00000 0.01148 0.00000 0.02369 37 2PX 0.00000 0.00000 0.00000 0.01910 0.00000 38 2PY 0.09681 0.00000 0.03098 0.00000 0.01764 39 2PZ 0.00000 0.00839 0.00000 0.00000 0.00000 40 3S 0.03098 0.00000 -0.00963 0.00000 0.00844 41 3PX 0.00000 0.00000 0.00000 0.02602 0.00000 42 3PY 0.01764 0.00000 0.00844 0.00000 0.00146 43 3PZ 0.00000 0.01655 0.00000 0.00000 0.00000 44 4XX -0.00106 0.00000 -0.00148 0.00000 -0.00163 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 0.00143 55 2PY -0.00053 -0.00005 -0.00557 -0.00006 -0.00579 56 2PZ -0.00010 0.00000 0.00025 -0.00025 -0.00045 57 3S -0.00147 -0.00108 -0.00157 -0.00090 -0.00347 58 3PX -0.00124 -0.00095 0.00466 -0.00292 0.00394 59 3PY 0.00064 -0.00066 -0.00670 0.00027 -0.00164 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 0.00002 0.00001 0.00000 70 2S 0.00000 -0.00015 -0.00042 0.00002 -0.00003 71 2PX 0.00000 -0.00022 -0.00082 0.00015 -0.00008 72 2PY 0.00000 0.00000 -0.00002 -0.00002 0.00019 73 2PZ 0.00000 -0.00022 -0.00011 -0.00079 -0.00014 74 3S 0.00002 -0.00378 0.00248 0.00384 -0.00019 75 3PX -0.00002 -0.00115 -0.00096 0.00004 -0.00014 76 3PY 0.00013 0.00009 0.00009 -0.00003 0.00105 77 3PZ 0.00004 -0.00217 0.00150 -0.00198 -0.00016 78 4XX 0.00000 0.00002 0.00006 -0.00008 0.00001 79 4YY 0.00000 0.00000 -0.00007 -0.00007 0.00000 80 4ZZ 0.00000 -0.00001 0.00005 0.00033 -0.00001 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 82 4XZ 0.00000 0.00008 0.00006 -0.00006 0.00001 83 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 84 10 H 1S 0.00000 -0.00001 -0.00011 0.00013 -0.00002 85 2S 0.00000 -0.00054 -0.00081 0.00059 -0.00011 86 11 H 1S 0.00000 0.00000 0.00005 -0.00005 0.00005 87 2S 0.00002 0.00041 0.00079 -0.00100 0.00047 88 12 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 89 2S 0.00000 -0.00001 -0.00036 0.00006 -0.00018 90 2PX 0.00000 -0.00001 -0.00014 0.00004 -0.00033 91 2PY 0.00001 0.00000 -0.00023 -0.00038 0.00008 92 2PZ -0.00002 -0.00002 -0.00137 -0.00006 -0.00076 93 3S -0.00036 -0.00016 -0.00468 -0.00148 -0.00260 94 3PX -0.00003 -0.00005 -0.00064 0.00000 -0.00082 95 3PY 0.00010 0.00006 -0.00149 -0.00158 0.00001 96 3PZ -0.00075 -0.00016 -0.00522 -0.00027 -0.00249 97 4XX 0.00000 0.00000 0.00004 0.00001 0.00003 98 4YY 0.00000 0.00000 0.00001 0.00001 0.00003 99 4ZZ 0.00000 0.00000 -0.00005 -0.00002 -0.00009 100 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00001 0.00001 102 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 103 13 H 1S 0.00000 0.00000 0.00004 0.00000 -0.00002 104 2S -0.00001 0.00010 0.00052 -0.00015 -0.00030 105 14 H 1S 0.00000 0.00000 0.00001 0.00001 0.00002 106 2S 0.00001 -0.00001 0.00036 0.00036 0.00040 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 0.00000 -0.00001 -0.00004 0.00000 113 3PX 0.00000 0.00000 0.00000 -0.00003 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 -0.00005 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 C 1S 0.00000 0.00000 0.00001 0.00006 0.00000 123 2S 0.00000 0.00000 -0.00029 -0.00144 0.00000 124 2PX 0.00000 0.00000 0.00030 -0.00169 0.00000 125 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 126 2PZ 0.00000 0.00000 -0.00001 -0.00008 0.00000 127 3S 0.00000 -0.00006 -0.00022 -0.00786 0.00001 128 3PX 0.00000 0.00001 0.00035 -0.00257 0.00001 129 3PY -0.00001 0.00000 0.00000 -0.00002 -0.00005 130 3PZ 0.00000 -0.00011 0.00006 -0.00044 0.00000 131 4XX 0.00000 0.00000 -0.00004 0.00027 0.00000 132 4YY 0.00000 0.00000 0.00001 -0.00003 0.00000 133 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 135 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 138 2S 0.00000 0.00000 0.00003 -0.00038 -0.00004 139 2PX 0.00000 0.00000 -0.00037 -0.00238 -0.00037 140 2PY 0.00000 0.00000 0.00000 0.00019 -0.00001 141 2PZ 0.00000 0.00000 -0.00002 -0.00018 -0.00002 142 3S -0.00007 -0.00003 -0.00076 -0.00413 -0.00081 143 3PX -0.00021 -0.00012 -0.00191 -0.00956 -0.00165 144 3PY 0.00001 0.00004 -0.00001 0.00282 0.00000 145 3PZ -0.00002 0.00020 -0.00021 -0.00096 -0.00014 146 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 147 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00001 0.00003 0.00000 149 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 150 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00001 0.00000 154 19 H 1S 0.00000 0.00000 -0.00008 -0.00081 0.00003 155 2S 0.00002 -0.00005 -0.00017 -0.00194 0.00021 156 20 H 1S 0.00000 0.00000 0.00002 0.00006 0.00002 157 2S 0.00000 0.00003 0.00017 0.00120 0.00023 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 -0.00001 -0.00005 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00002 0.00006 0.00001 166 3PX 0.00000 0.00000 0.00004 0.00032 0.00005 167 3PY 0.00000 0.00000 0.00001 0.00002 0.00000 168 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00024 0.00001 181 3PX 0.00000 0.00000 0.00008 0.00030 0.00004 182 3PY 0.00000 0.00000 -0.00002 -0.00003 0.00001 183 3PZ 0.00000 0.00000 -0.00003 -0.00005 0.00000 184 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PZ 0.09328 27 4XX 0.00000 0.00092 28 4YY 0.00000 -0.00008 0.00114 29 4ZZ 0.00000 0.00007 -0.00006 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 0.02192 -0.00039 -0.00082 0.00160 0.00114 34 2S 0.02134 0.00026 -0.00135 0.00254 0.00027 35 5 C 1S 0.00000 0.00000 -0.00026 0.00000 0.00000 36 2S 0.00000 -0.00042 0.00362 -0.00047 0.00000 37 2PX 0.00000 0.00000 0.00000 0.00000 0.00201 38 2PY 0.00000 -0.00106 0.00223 -0.00112 0.00000 39 2PZ 0.01655 0.00000 0.00000 0.00000 0.00000 40 3S 0.00000 -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 -0.00033 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 0.00012 0.00000 0.00000 0.00000 0.00000 70 2S -0.00177 0.00000 0.00000 0.00001 0.00000 71 2PX -0.00219 0.00000 0.00000 0.00002 0.00000 72 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 73 2PZ 0.00070 0.00001 0.00000 0.00006 0.00000 74 3S -0.00950 0.00010 -0.00012 0.00019 0.00000 75 3PX -0.00300 0.00000 -0.00003 0.00015 0.00000 76 3PY 0.00013 0.00000 0.00000 -0.00001 -0.00003 77 3PZ 0.00127 0.00004 -0.00015 0.00050 -0.00001 78 4XX 0.00026 0.00000 0.00000 0.00000 0.00000 79 4YY -0.00002 0.00000 0.00000 0.00000 0.00000 80 4ZZ -0.00022 0.00000 0.00000 0.00000 0.00000 81 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XZ 0.00029 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10 H 1S -0.00096 0.00000 0.00000 0.00000 0.00000 85 2S -0.00405 0.00002 0.00000 -0.00004 0.00000 86 11 H 1S 0.00015 0.00000 0.00000 0.00000 0.00000 87 2S 0.00247 -0.00001 0.00000 -0.00001 0.00000 88 12 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 89 2S -0.00042 0.00000 0.00000 0.00000 0.00000 90 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00010 0.00000 0.00000 0.00000 0.00000 92 2PZ -0.00117 0.00000 0.00000 0.00000 0.00000 93 3S -0.00055 -0.00002 0.00003 0.00003 0.00000 94 3PX 0.00000 -0.00001 0.00000 0.00001 0.00000 95 3PY 0.00079 -0.00003 0.00004 -0.00002 0.00000 96 3PZ -0.00211 0.00001 -0.00002 0.00003 -0.00003 97 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 98 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 100 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 101 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00010 0.00000 0.00000 0.00000 0.00000 104 2S 0.00142 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00009 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00001 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00004 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00016 0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 127 3S -0.00039 0.00005 -0.00002 0.00000 0.00000 128 3PX -0.00020 0.00034 -0.00007 -0.00009 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 130 3PZ 0.00051 0.00003 0.00000 0.00000 0.00000 131 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00003 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00012 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00015 0.00000 0.00000 0.00000 0.00000 142 3S -0.00023 0.00000 0.00000 0.00000 -0.00001 143 3PX -0.00061 0.00000 -0.00001 0.00000 0.00001 144 3PY 0.00017 0.00000 0.00001 0.00000 0.00000 145 3PZ 0.00122 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S -0.00026 0.00000 0.00000 0.00000 0.00000 155 2S -0.00063 -0.00004 0.00000 0.00002 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00028 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00001 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 168 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S -0.00003 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00002 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 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 0.17164 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 -0.00152 0.00000 40 3S 0.00000 0.00000 -0.00417 -0.01700 -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 0.00084 0.00019 -0.00033 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 -0.00059 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 -0.00011 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 0.00001 0.00000 0.00000 0.00008 0.00000 71 2PX 0.00001 0.00000 0.00000 0.00009 0.00000 72 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 73 2PZ 0.00005 0.00000 0.00000 0.00033 0.00000 74 3S 0.00008 -0.00001 0.00008 0.00142 0.00002 75 3PX 0.00001 0.00000 0.00002 0.00048 0.00000 76 3PY 0.00000 -0.00001 0.00001 0.00015 0.00001 77 3PZ 0.00018 0.00000 0.00020 0.00283 0.00002 78 4XX 0.00000 0.00000 0.00000 -0.00001 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 -0.00001 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 -0.00001 -0.00001 0.00000 -0.00005 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 -0.00019 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 -0.00001 -0.00004 0.00000 -0.00001 0.00004 94 3PX 0.00000 -0.00001 0.00000 -0.00005 0.00004 95 3PY -0.00002 0.00001 0.00000 -0.00001 0.00000 96 3PZ 0.00000 -0.00001 0.00000 -0.00008 0.00012 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 0.00002 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00009 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 3S 0.00000 0.00000 0.00001 0.00027 0.00000 128 3PX 0.00000 0.00000 0.00001 0.00048 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 130 3PZ 0.00000 0.00000 -0.00002 -0.00021 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 -0.00007 0.00001 143 3PX 0.00000 0.00000 0.00000 -0.00003 0.00004 144 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00004 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00003 0.00027 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00002 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.32496 37 2PX 0.00000 0.36896 38 2PY 0.00000 0.00000 0.41335 39 2PZ 0.00000 0.00000 0.00000 0.39023 40 3S 0.20116 0.00000 0.00000 0.00000 0.25009 41 3PX 0.00000 0.10336 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 0.09567 0.00000 44 4XX -0.00672 0.00000 0.00000 0.00000 -0.00354 45 4YY -0.00219 0.00000 0.00000 0.00000 -0.00196 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 0.02436 0.02406 0.04947 0.04347 51 2S 0.01190 0.01601 0.01556 0.03425 0.03825 52 7 C 1S -0.00058 -0.00143 -0.00062 -0.00090 0.00070 53 2S 0.01134 0.02093 0.00935 0.01263 0.00574 54 2PX 0.02021 -0.00057 0.01791 0.03915 0.00750 55 2PY 0.00937 0.01826 -0.00036 0.00746 0.01237 56 2PZ 0.01358 0.03417 0.00933 0.00059 0.00722 57 3S 0.01143 0.02145 0.00590 0.01306 -0.01474 58 3PX 0.01276 0.00242 0.00816 0.02060 -0.00312 59 3PY 0.00676 0.00702 -0.00073 0.00274 0.00540 60 3PZ 0.00387 0.01528 0.00376 0.00259 0.00232 61 4XX 0.00057 -0.00099 0.00080 0.00133 0.00123 62 4YY -0.00045 -0.00024 -0.00025 -0.00019 -0.00158 63 4ZZ -0.00019 0.00034 0.00013 -0.00071 0.00062 64 4XY 0.00083 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 -0.00255 -0.00651 -0.00039 -0.01535 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 70 2S 0.00000 0.00000 0.00000 -0.00001 -0.00036 71 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00014 72 2PY 0.00000 -0.00002 0.00001 0.00000 -0.00023 73 2PZ -0.00001 0.00001 -0.00002 -0.00002 -0.00137 74 3S -0.00039 -0.00025 -0.00036 -0.00016 -0.00468 75 3PX -0.00005 0.00000 -0.00003 -0.00005 -0.00064 76 3PY -0.00022 -0.00053 0.00010 0.00006 -0.00149 77 3PZ -0.00032 0.00017 -0.00075 -0.00016 -0.00522 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00004 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 80 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00005 81 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 82 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00004 85 2S 0.00001 -0.00002 -0.00001 0.00010 0.00052 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 87 2S 0.00000 0.00001 0.00001 -0.00001 0.00036 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 89 2S -0.00004 -0.00005 0.00000 -0.00015 -0.00042 90 2PX -0.00007 0.00000 0.00000 -0.00022 -0.00082 91 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 92 2PZ -0.00017 -0.00033 0.00000 -0.00022 -0.00011 93 3S -0.00076 0.00005 0.00002 -0.00378 0.00248 94 3PX -0.00064 0.00002 -0.00002 -0.00115 -0.00096 95 3PY 0.00004 0.00002 0.00013 0.00009 0.00009 96 3PZ -0.00216 -0.00313 0.00004 -0.00217 0.00150 97 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 98 4YY 0.00000 0.00000 0.00000 0.00000 -0.00007 99 4ZZ 0.00000 0.00004 0.00000 -0.00001 0.00005 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00001 -0.00001 0.00000 0.00008 0.00006 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00011 104 2S -0.00006 0.00013 0.00000 -0.00054 -0.00081 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 106 2S 0.00015 -0.00001 0.00002 0.00041 0.00079 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 0.00000 0.00000 0.00000 -0.00001 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00003 124 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00037 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 127 3S -0.00005 -0.00055 -0.00007 -0.00003 -0.00076 128 3PX -0.00017 -0.00188 -0.00021 -0.00012 -0.00191 129 3PY -0.00002 0.00051 0.00001 0.00004 -0.00001 130 3PZ 0.00000 -0.00014 -0.00002 0.00020 -0.00021 131 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 138 2S 0.00000 -0.00002 0.00000 0.00000 -0.00029 139 2PX -0.00002 -0.00008 0.00000 0.00000 0.00030 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 3S -0.00022 -0.00141 0.00000 -0.00006 -0.00022 143 3PX -0.00065 -0.00046 0.00000 0.00001 0.00035 144 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 145 3PZ -0.00006 -0.00019 0.00000 -0.00011 0.00006 146 4XX 0.00000 0.00001 0.00000 0.00000 -0.00004 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 155 2S 0.00000 0.00011 0.00000 0.00003 0.00017 156 20 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00008 157 2S -0.00003 -0.00048 0.00002 -0.00005 -0.00017 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00001 0.00000 0.00000 0.00008 167 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 168 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00002 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 3PX 0.12000 42 3PY 0.00000 0.06237 43 3PZ 0.00000 0.00000 0.09329 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 0.00828 0.01001 0.02191 -0.00039 -0.00082 51 2S 0.00516 0.00740 0.02134 0.00026 -0.00135 52 7 C 1S -0.00061 -0.00036 0.00035 -0.00003 0.00001 53 2S 0.01224 0.00249 0.00196 0.00050 -0.00046 54 2PX 0.00366 0.01210 0.01594 -0.00076 -0.00034 55 2PY 0.00805 0.00131 0.00065 0.00066 -0.00027 56 2PZ 0.01437 0.00369 0.00349 0.00099 -0.00033 57 3S 0.01146 0.00031 0.00069 0.00113 -0.00076 58 3PX 0.01823 0.01057 0.01516 -0.00122 0.00008 59 3PY 0.00359 0.00090 -0.00047 0.00038 -0.00056 60 3PZ 0.01266 -0.00004 0.01140 0.00142 -0.00054 61 4XX -0.00161 0.00080 0.00174 -0.00002 -0.00003 62 4YY -0.00022 -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 -0.00158 -0.00036 -0.00043 -0.00001 0.00009 68 2S -0.00582 -0.00203 -0.00017 -0.00026 0.00097 69 9 C 1S 0.00000 0.00001 0.00001 0.00000 0.00000 70 2S 0.00006 -0.00018 -0.00042 0.00000 0.00000 71 2PX 0.00004 -0.00033 -0.00003 0.00000 0.00000 72 2PY -0.00038 0.00008 0.00010 0.00000 0.00000 73 2PZ -0.00006 -0.00076 -0.00117 0.00000 0.00000 74 3S -0.00148 -0.00260 -0.00055 -0.00002 0.00003 75 3PX 0.00000 -0.00082 0.00000 -0.00001 0.00000 76 3PY -0.00158 0.00001 0.00079 -0.00003 0.00004 77 3PZ -0.00027 -0.00249 -0.00211 0.00001 -0.00002 78 4XX 0.00001 0.00003 0.00004 0.00000 0.00000 79 4YY 0.00001 0.00003 -0.00005 0.00000 0.00000 80 4ZZ -0.00002 -0.00009 0.00001 0.00000 0.00000 81 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 82 4XZ 0.00001 0.00001 -0.00002 0.00000 0.00000 83 4YZ 0.00000 0.00001 0.00003 0.00000 0.00000 84 10 H 1S 0.00000 -0.00002 0.00010 0.00000 0.00000 85 2S -0.00015 -0.00030 0.00142 0.00000 0.00000 86 11 H 1S 0.00001 0.00002 0.00000 0.00000 0.00000 87 2S 0.00036 0.00040 -0.00010 0.00000 0.00000 88 12 C 1S 0.00001 0.00000 0.00012 0.00000 0.00000 89 2S 0.00002 -0.00003 -0.00177 0.00000 0.00000 90 2PX 0.00015 -0.00008 -0.00219 0.00000 0.00000 91 2PY -0.00002 0.00019 0.00001 0.00000 0.00000 92 2PZ -0.00079 -0.00014 0.00070 0.00001 0.00000 93 3S 0.00384 -0.00019 -0.00950 0.00010 -0.00012 94 3PX 0.00004 -0.00014 -0.00300 0.00000 -0.00003 95 3PY -0.00003 0.00105 0.00013 0.00000 0.00000 96 3PZ -0.00198 -0.00016 0.00127 0.00004 -0.00015 97 4XX -0.00008 0.00001 0.00026 0.00000 0.00000 98 4YY -0.00007 0.00000 -0.00002 0.00000 0.00000 99 4ZZ 0.00033 -0.00001 -0.00022 0.00000 0.00000 100 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 101 4XZ -0.00006 0.00001 0.00029 0.00000 0.00000 102 4YZ 0.00000 -0.00005 0.00000 0.00000 0.00000 103 13 H 1S 0.00013 -0.00002 -0.00096 0.00000 0.00000 104 2S 0.00059 -0.00011 -0.00405 0.00002 0.00000 105 14 H 1S -0.00005 0.00005 0.00015 0.00000 0.00000 106 2S -0.00100 0.00047 0.00247 -0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX -0.00003 0.00000 0.00001 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00005 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 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 123 2S -0.00038 -0.00004 -0.00003 0.00000 0.00000 124 2PX -0.00238 -0.00037 -0.00012 0.00000 0.00000 125 2PY 0.00019 -0.00001 0.00002 0.00000 0.00000 126 2PZ -0.00018 -0.00002 0.00015 0.00000 0.00000 127 3S -0.00413 -0.00081 -0.00023 0.00000 0.00000 128 3PX -0.00956 -0.00165 -0.00061 0.00000 -0.00001 129 3PY 0.00282 0.00000 0.00017 0.00000 0.00001 130 3PZ -0.00096 -0.00014 0.00122 0.00000 0.00000 131 4XX -0.00001 -0.00001 0.00000 0.00000 0.00000 132 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 134 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00006 0.00000 0.00000 0.00000 0.00000 138 2S -0.00144 0.00000 -0.00004 0.00000 0.00000 139 2PX -0.00169 0.00000 -0.00016 0.00001 0.00000 140 2PY -0.00001 -0.00003 0.00000 0.00000 0.00000 141 2PZ -0.00008 0.00000 0.00001 0.00000 0.00000 142 3S -0.00786 0.00001 -0.00039 0.00005 -0.00002 143 3PX -0.00257 0.00001 -0.00020 0.00034 -0.00007 144 3PY -0.00002 -0.00005 0.00000 0.00000 0.00000 145 3PZ -0.00044 0.00000 0.00051 0.00003 0.00000 146 4XX 0.00027 0.00000 0.00003 0.00000 0.00000 147 4YY -0.00003 0.00000 0.00000 0.00000 0.00000 148 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 150 4XZ 0.00002 0.00000 -0.00001 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00006 0.00002 0.00000 0.00000 0.00000 155 2S 0.00120 0.00023 0.00028 0.00000 0.00000 156 20 H 1S -0.00081 0.00003 -0.00026 0.00000 0.00000 157 2S -0.00194 0.00021 -0.00063 -0.00004 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00005 0.00000 0.00001 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00024 0.00001 -0.00003 0.00000 0.00000 166 3PX 0.00030 0.00004 0.00002 0.00000 0.00000 167 3PY -0.00003 0.00001 0.00000 0.00000 0.00000 168 3PZ -0.00005 0.00000 0.00003 0.00000 0.00000 169 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00006 0.00001 0.00000 0.00000 0.00000 181 3PX 0.00032 0.00005 -0.00003 0.00000 0.00000 182 3PY 0.00002 0.00000 0.00001 0.00000 0.00000 183 3PZ -0.00004 0.00000 -0.00001 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 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 0.00160 0.00114 0.00172 0.00226 0.21693 51 2S 0.00254 0.00027 0.00030 0.00052 0.11783 52 7 C 1S 0.00000 -0.00008 -0.00009 -0.00007 0.00000 53 2S 0.00001 0.00083 0.00096 0.00068 -0.00020 54 2PX 0.00041 0.00020 0.00031 0.00124 -0.00035 55 2PY 0.00025 -0.00002 0.00105 -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 0.00000 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 0.00003 0.00000 -0.00001 -0.00004 0.00000 75 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 76 3PY -0.00002 0.00000 -0.00002 0.00001 0.00000 77 3PZ 0.00003 -0.00003 0.00000 -0.00001 0.00000 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 0.00000 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00001 0.00000 0.00000 90 2PX 0.00002 0.00000 0.00001 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00006 0.00000 0.00005 0.00000 0.00000 93 3S 0.00019 0.00000 0.00008 -0.00001 0.00008 94 3PX 0.00015 0.00000 0.00001 0.00000 0.00002 95 3PY -0.00001 -0.00003 0.00000 -0.00001 0.00001 96 3PZ 0.00050 -0.00001 0.00018 0.00000 0.00020 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 -0.00004 0.00000 -0.00001 -0.00001 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00001 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00001 143 3PX -0.00009 0.00000 0.00000 0.00000 0.00001 144 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00002 -0.00001 0.00000 0.00000 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2S 0.17164 52 7 C 1S 0.00026 2.05499 53 2S -0.00342 -0.01344 0.32633 54 2PX -0.00577 0.00000 0.00000 0.35439 55 2PY 0.00001 0.00000 0.00000 0.00000 0.41151 56 2PZ -0.00550 0.00000 0.00000 0.00000 0.00000 57 3S -0.01509 -0.03645 0.23612 0.00000 0.00000 58 3PX -0.01064 0.00000 0.00000 0.11189 0.00000 59 3PY -0.00027 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 0.00105 0.09692 68 2S -0.00589 -0.00121 0.01237 0.00024 0.06457 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 -0.00002 0.00000 -0.00008 71 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 72 2PY 0.00000 0.00000 -0.00011 0.00000 -0.00027 73 2PZ 0.00000 0.00000 -0.00004 0.00000 -0.00004 74 3S -0.00001 0.00000 -0.00058 -0.00039 -0.00336 75 3PX -0.00005 0.00000 -0.00008 0.00020 -0.00018 76 3PY -0.00001 0.00009 -0.00203 -0.00020 -0.00450 77 3PZ -0.00008 0.00000 -0.00047 -0.00018 -0.00023 78 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 80 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00003 84 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00006 0.00001 0.00010 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00002 0.00000 0.00009 0.00011 0.00015 88 12 C 1S 0.00000 0.00000 -0.00019 -0.00012 -0.00024 89 2S 0.00008 -0.00020 0.00510 0.00225 0.00423 90 2PX 0.00009 -0.00009 0.00177 0.00002 0.00094 91 2PY 0.00001 -0.00019 0.00371 0.00070 -0.00061 92 2PZ 0.00033 -0.00117 0.02397 0.00790 0.01390 93 3S 0.00142 0.00013 0.00692 0.00564 0.00982 94 3PX 0.00048 -0.00008 0.00179 0.00000 0.00068 95 3PY 0.00015 -0.00024 0.00226 0.00058 0.00034 96 3PZ 0.00283 -0.00127 0.01980 0.00425 0.00822 97 4XX -0.00001 0.00000 -0.00030 0.00003 -0.00007 98 4YY 0.00000 0.00000 -0.00018 -0.00003 -0.00006 99 4ZZ 0.00000 -0.00007 0.00165 0.00057 0.00108 100 4XY 0.00000 0.00000 0.00007 0.00004 0.00000 101 4XZ -0.00001 -0.00002 0.00039 0.00047 0.00020 102 4YZ 0.00000 -0.00005 0.00082 0.00023 0.00005 103 13 H 1S 0.00000 0.00000 -0.00019 0.00001 -0.00001 104 2S -0.00005 0.00018 -0.00332 -0.00013 -0.00012 105 14 H 1S 0.00000 0.00000 -0.00015 -0.00026 0.00000 106 2S -0.00019 0.00020 -0.00288 -0.00585 -0.00011 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 0.00000 0.00000 0.00002 0.00000 113 3PX 0.00000 0.00000 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 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00001 0.00000 -0.00001 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00007 0.00000 -0.00020 -0.00015 -0.00051 128 3PX -0.00003 0.00001 -0.00046 -0.00029 -0.00024 129 3PY -0.00001 -0.00001 0.00003 -0.00009 -0.00035 130 3PZ 0.00004 0.00000 -0.00022 -0.00033 -0.00015 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00008 0.00013 0.00001 139 2PX 0.00009 0.00000 0.00003 0.00204 0.00028 140 2PY 0.00001 0.00000 -0.00002 0.00020 -0.00001 141 2PZ -0.00001 0.00000 0.00007 0.00111 0.00010 142 3S 0.00027 0.00016 -0.00065 0.00234 0.00090 143 3PX 0.00048 0.00003 -0.00040 0.00812 0.00149 144 3PY 0.00001 0.00000 -0.00033 0.00105 0.00026 145 3PZ -0.00021 0.00004 0.00025 0.00632 0.00056 146 4XX 0.00000 0.00000 0.00003 0.00012 0.00002 147 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00002 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00007 0.00001 151 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00002 0.00000 0.00002 0.00003 0.00003 156 20 H 1S 0.00000 0.00000 -0.00002 -0.00005 0.00000 157 2S 0.00027 0.00003 -0.00065 -0.00108 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00003 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 -0.00009 0.00000 166 3PX -0.00001 0.00000 -0.00011 -0.00099 -0.00002 167 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 168 3PZ 0.00000 0.00000 -0.00001 -0.00009 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 2PZ 0.38400 57 3S 0.00000 0.30061 58 3PX 0.00000 0.00000 0.12488 59 3PY 0.00000 0.00000 0.00000 0.05321 60 3PZ 0.09697 0.00000 0.00000 0.00000 0.09658 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 0.00070 0.04240 0.00025 0.04296 0.00017 68 2S 0.00049 0.02340 -0.00063 0.04178 -0.00010 69 9 C 1S 0.00000 0.00002 0.00001 0.00005 0.00001 70 2S -0.00005 -0.00040 -0.00009 -0.00095 -0.00046 71 2PX 0.00000 -0.00011 -0.00004 0.00000 0.00005 72 2PY -0.00017 -0.00123 -0.00020 -0.00108 -0.00158 73 2PZ -0.00006 0.00017 -0.00019 0.00178 -0.00044 74 3S 0.00006 -0.00142 -0.00184 -0.00547 0.00200 75 3PX 0.00002 -0.00033 0.00051 -0.00015 0.00022 76 3PY -0.00131 -0.00425 -0.00083 -0.00385 -0.00215 77 3PZ -0.00028 0.00049 -0.00062 0.00275 -0.00015 78 4XX 0.00000 0.00001 0.00001 -0.00005 0.00000 79 4YY 0.00000 0.00002 0.00003 0.00004 -0.00010 80 4ZZ 0.00000 -0.00002 -0.00004 0.00006 0.00006 81 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 82 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 83 4YZ 0.00002 0.00005 0.00002 0.00002 0.00007 84 10 H 1S 0.00000 -0.00001 0.00000 -0.00011 0.00024 85 2S 0.00023 0.00004 0.00006 -0.00014 0.00192 86 11 H 1S 0.00000 0.00004 0.00005 -0.00005 0.00002 87 2S 0.00006 0.00041 0.00088 -0.00025 -0.00009 88 12 C 1S -0.00095 -0.00008 -0.00013 -0.00030 -0.00056 89 2S 0.01884 0.00439 0.00144 0.00327 0.01093 90 2PX 0.00649 0.00232 0.00002 0.00013 0.00151 91 2PY 0.01257 0.00318 0.00032 -0.00170 0.00724 92 2PZ 0.04482 0.02221 0.00379 0.00268 0.01200 93 3S 0.01743 0.00013 0.00758 0.00649 -0.00033 94 3PX 0.00365 0.00180 -0.00074 -0.00003 0.00122 95 3PY 0.00760 0.00225 0.00009 -0.00189 0.00562 96 3PZ 0.01549 0.01207 0.00263 0.00065 0.00190 97 4XX -0.00038 -0.00096 -0.00026 0.00001 0.00003 98 4YY -0.00029 -0.00038 -0.00014 -0.00034 -0.00005 99 4ZZ 0.00023 0.00238 0.00065 0.00048 -0.00049 100 4XY 0.00021 0.00004 0.00006 0.00001 0.00003 101 4XZ 0.00058 0.00013 0.00053 0.00001 0.00015 102 4YZ 0.00129 0.00035 0.00005 0.00023 0.00018 103 13 H 1S -0.00045 -0.00122 -0.00012 0.00015 -0.00578 104 2S -0.00666 -0.00380 -0.00091 0.00030 -0.01806 105 14 H 1S -0.00029 -0.00231 -0.00206 0.00009 0.00032 106 2S -0.00246 -0.01153 -0.01242 -0.00013 0.00542 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00001 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00002 0.00001 0.00001 -0.00001 110 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00009 0.00016 0.00004 -0.00002 113 3PX 0.00000 0.00002 -0.00008 -0.00005 -0.00002 114 3PY 0.00000 -0.00005 -0.00006 0.00000 0.00000 115 3PZ 0.00000 0.00002 0.00004 0.00002 0.00010 116 4XX 0.00000 -0.00001 -0.00001 -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 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 123 2S 0.00000 -0.00008 -0.00017 -0.00005 -0.00007 124 2PX 0.00000 0.00018 -0.00033 0.00062 0.00000 125 2PY 0.00000 -0.00011 -0.00054 -0.00002 -0.00031 126 2PZ 0.00000 0.00003 -0.00033 0.00023 0.00000 127 3S 0.00013 -0.00008 -0.00065 -0.00001 0.00038 128 3PX -0.00025 0.00010 -0.00161 0.00159 -0.00078 129 3PY 0.00017 -0.00080 0.00022 -0.00060 -0.00008 130 3PZ 0.00000 0.00043 -0.00177 0.00093 -0.00006 131 4XX 0.00000 0.00001 -0.00002 0.00002 -0.00001 132 4YY 0.00000 0.00001 0.00000 0.00001 0.00000 133 4ZZ 0.00000 -0.00001 0.00001 -0.00002 0.00000 134 4XY 0.00000 0.00001 0.00007 0.00002 0.00004 135 4XZ 0.00000 0.00000 -0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00001 0.00005 0.00001 0.00000 137 17 C 1S 0.00000 0.00004 0.00004 -0.00002 -0.00005 138 2S 0.00005 0.00014 -0.00038 0.00039 0.00064 139 2PX 0.00071 0.00061 0.00776 0.00085 0.00475 140 2PY 0.00004 0.00007 0.00087 -0.00007 0.00059 141 2PZ 0.00022 0.00128 0.00549 0.00059 0.00007 142 3S -0.00066 0.00126 0.00244 0.00172 0.00107 143 3PX 0.00512 0.00341 0.01261 0.00220 0.01182 144 3PY 0.00060 0.00015 0.00214 -0.00001 0.00151 145 3PZ 0.00003 0.00207 0.01154 0.00088 -0.00216 146 4XX 0.00006 0.00056 0.00070 0.00021 0.00048 147 4YY 0.00000 -0.00011 -0.00015 -0.00003 -0.00009 148 4ZZ -0.00001 -0.00023 -0.00026 -0.00012 -0.00012 149 4XY 0.00001 -0.00001 0.00006 0.00004 0.00003 150 4XZ 0.00001 0.00006 0.00018 0.00002 0.00001 151 4YZ 0.00000 0.00000 0.00007 0.00001 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 -0.00003 -0.00003 -0.00002 0.00000 154 19 H 1S 0.00000 0.00000 0.00004 -0.00001 0.00002 155 2S 0.00003 0.00009 0.00051 -0.00013 0.00041 156 20 H 1S -0.00004 -0.00059 -0.00157 0.00000 -0.00084 157 2S -0.00122 -0.00382 -0.00490 -0.00003 -0.00395 158 21 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 159 2S -0.00001 0.00037 0.00025 0.00025 -0.00019 160 22 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2S 0.00000 0.00004 0.00008 0.00001 -0.00002 162 2PX 0.00000 -0.00039 -0.00078 -0.00007 -0.00008 163 2PY 0.00000 -0.00002 0.00002 0.00001 0.00000 164 2PZ 0.00000 -0.00005 -0.00006 -0.00001 0.00011 165 3S 0.00001 0.00004 0.00079 0.00005 -0.00007 166 3PX -0.00003 -0.00341 -0.00509 -0.00042 -0.00053 167 3PY 0.00000 -0.00013 0.00011 0.00010 -0.00002 168 3PZ 0.00005 -0.00044 -0.00047 -0.00005 0.00119 169 4XX 0.00000 -0.00002 0.00010 0.00000 0.00001 170 4YY 0.00000 0.00002 -0.00003 0.00000 0.00000 171 4ZZ 0.00000 0.00000 -0.00005 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00001 -0.00001 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 177 2PX 0.00000 0.00000 0.00001 -0.00001 0.00000 178 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 -0.00007 -0.00005 -0.00008 -0.00001 181 3PX 0.00000 -0.00007 0.00013 -0.00022 0.00000 182 3PY 0.00000 -0.00007 0.00009 -0.00003 0.00000 183 3PZ 0.00000 -0.00001 0.00000 -0.00002 0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 4XX 0.00149 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 0.00684 -0.00308 0.00002 0.00000 69 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00001 0.00000 0.00000 0.00000 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00000 0.00005 -0.00001 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 3S -0.00002 0.00026 -0.00011 0.00001 0.00000 75 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 76 3PY -0.00003 0.00058 -0.00029 0.00001 -0.00001 77 3PZ -0.00003 0.00000 0.00001 0.00000 0.00000 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 0.00001 -0.00002 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00001 0.00001 0.00000 0.00000 88 12 C 1S 0.00000 0.00001 -0.00008 0.00000 -0.00002 89 2S -0.00025 -0.00028 0.00173 0.00008 0.00027 90 2PX 0.00003 -0.00004 0.00057 0.00002 0.00055 91 2PY -0.00003 -0.00005 0.00113 0.00000 0.00016 92 2PZ -0.00056 -0.00047 -0.00015 0.00023 0.00036 93 3S -0.00076 -0.00147 0.00324 0.00007 0.00015 94 3PX -0.00020 -0.00007 0.00038 0.00002 0.00045 95 3PY -0.00013 -0.00035 0.00081 0.00000 0.00003 96 3PZ -0.00046 -0.00095 0.00011 0.00007 0.00003 97 4XX 0.00002 -0.00001 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00002 -0.00008 0.00000 -0.00001 99 4ZZ -0.00005 -0.00006 0.00007 0.00000 -0.00001 100 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 101 4XZ 0.00000 -0.00001 -0.00007 0.00001 -0.00005 102 4YZ -0.00002 0.00000 -0.00007 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00014 0.00000 0.00002 104 2S -0.00007 -0.00012 0.00070 0.00000 0.00008 105 14 H 1S 0.00003 0.00000 0.00001 0.00000 0.00008 106 2S 0.00057 -0.00014 -0.00023 -0.00001 0.00030 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00002 -0.00002 0.00000 0.00001 128 3PX 0.00010 -0.00002 -0.00004 0.00002 0.00001 129 3PY -0.00008 0.00003 0.00001 0.00000 -0.00001 130 3PZ 0.00007 -0.00001 -0.00002 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00003 0.00000 0.00000 0.00000 0.00002 139 2PX 0.00009 -0.00001 0.00000 0.00003 0.00009 140 2PY 0.00003 0.00000 0.00000 0.00000 0.00002 141 2PZ 0.00004 0.00000 0.00000 0.00001 0.00001 142 3S 0.00037 -0.00017 -0.00001 0.00003 0.00009 143 3PX 0.00046 -0.00022 0.00002 0.00005 0.00022 144 3PY 0.00013 0.00000 -0.00004 0.00000 0.00006 145 3PZ 0.00026 -0.00007 -0.00001 0.00005 0.00001 146 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00006 -0.00002 0.00003 0.00000 0.00002 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00001 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00003 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 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 0.00000 0.00000 0.00000 2.05092 70 2S 0.00001 0.00000 0.00006 -0.01170 0.30682 71 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 2PY 0.00005 0.00000 0.00029 0.00000 0.00000 73 2PZ 0.00000 0.00000 0.00004 0.00000 0.00000 74 3S 0.00006 0.00007 0.00130 -0.03425 0.22724 75 3PX 0.00000 0.00000 0.00003 0.00000 0.00000 76 3PY 0.00017 0.00023 0.00301 0.00000 0.00000 77 3PZ 0.00001 0.00000 0.00018 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00141 0.00014 79 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00365 80 4ZZ 0.00000 0.00000 0.00000 -0.00129 -0.00249 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 -0.00001 0.00000 0.00000 84 10 H 1S 0.00000 0.00000 0.00000 -0.00166 0.02734 85 2S -0.00001 0.00000 -0.00011 -0.00064 0.00994 86 11 H 1S 0.00000 0.00000 0.00000 -0.00170 0.02784 87 2S 0.00000 0.00000 -0.00015 -0.00043 0.00951 88 12 C 1S -0.00004 0.00000 0.00016 0.00000 -0.00013 89 2S 0.00071 -0.00013 -0.00247 -0.00013 0.00349 90 2PX 0.00018 -0.00001 -0.00020 0.00000 0.00000 91 2PY 0.00007 -0.00028 -0.00446 -0.00105 0.02291 92 2PZ 0.00127 -0.00025 -0.00431 0.00000 0.00000 93 3S 0.00037 -0.00400 -0.01623 0.00028 0.00260 94 3PX 0.00004 -0.00014 -0.00051 0.00000 0.00000 95 3PY 0.00015 -0.00097 -0.00527 -0.00147 0.02051 96 3PZ 0.00018 -0.00282 -0.00972 0.00000 0.00000 97 4XX -0.00003 0.00000 -0.00003 0.00000 -0.00023 98 4YY 0.00000 0.00004 0.00065 -0.00011 0.00250 99 4ZZ -0.00002 -0.00001 -0.00038 0.00000 -0.00022 100 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 101 4XZ 0.00001 0.00000 -0.00001 0.00000 0.00000 102 4YZ 0.00000 0.00004 0.00010 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 -0.00015 0.00000 -0.00013 104 2S -0.00003 -0.00017 -0.00034 0.00013 -0.00208 105 14 H 1S 0.00000 -0.00001 -0.00027 0.00000 -0.00011 106 2S -0.00002 -0.00039 -0.00001 0.00009 -0.00166 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 0.00000 -0.00001 0.00000 -0.00002 113 3PX 0.00000 0.00000 -0.00001 0.00000 0.00002 114 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00001 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00001 0.00000 -0.00001 125 2PY 0.00000 0.00000 0.00004 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 127 3S 0.00000 0.00001 0.00040 0.00001 -0.00003 128 3PX 0.00000 -0.00001 0.00008 0.00002 -0.00065 129 3PY 0.00000 0.00003 0.00045 0.00000 -0.00002 130 3PZ 0.00000 0.00000 0.00007 0.00004 -0.00040 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00009 0.00000 0.00000 139 2PX 0.00001 -0.00001 -0.00061 0.00000 0.00000 140 2PY 0.00000 -0.00001 -0.00045 0.00000 0.00000 141 2PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 142 3S 0.00000 -0.00055 -0.00323 0.00000 -0.00017 143 3PX 0.00004 -0.00060 -0.00284 0.00001 -0.00011 144 3PY 0.00000 0.00020 0.00072 0.00000 -0.00002 145 3PZ 0.00000 -0.00018 -0.00110 0.00001 -0.00033 146 4XX 0.00000 0.00000 -0.00002 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00005 0.00000 0.00000 148 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 -0.00003 0.00000 0.00002 156 20 H 1S 0.00000 0.00000 -0.00011 0.00000 0.00000 157 2S 0.00000 -0.00011 -0.00016 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00001 0.00000 -0.00002 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00002 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00026 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00011 0.00000 0.00001 167 3PY 0.00000 0.00000 0.00012 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 169 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 181 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00005 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 2PX 0.41187 72 2PY 0.00000 0.38124 73 2PZ 0.00000 0.00000 0.38896 74 3S 0.00000 0.00000 0.00000 0.30210 75 3PX 0.10595 0.00000 0.00000 0.00000 0.08585 76 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 77 3PZ 0.00000 0.00000 0.10248 0.00000 0.00000 78 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 79 4YY 0.00000 0.00000 0.00000 -0.00323 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 0.04266 0.00966 0.04456 0.03402 0.02647 85 2S 0.02850 0.00581 0.02893 0.01332 0.02783 86 11 H 1S 0.07933 0.01254 0.00673 0.03034 0.05115 87 2S 0.05033 0.00744 0.00403 -0.00478 0.04890 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 -0.00004 0.00000 0.00000 0.00000 -0.00093 91 2PY 0.00000 0.07729 0.00000 0.02762 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 -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 104 2S -0.00121 -0.00487 -0.00081 -0.00793 -0.00243 105 14 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 106 2S -0.00196 -0.00464 -0.00003 -0.00090 -0.00407 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 -0.00001 -0.00004 109 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00005 110 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00006 112 3S -0.00006 0.00000 0.00000 -0.00008 -0.00026 113 3PX 0.00014 0.00002 0.00001 0.00016 0.00044 114 3PY 0.00003 0.00000 0.00000 0.00001 -0.00001 115 3PZ -0.00013 0.00001 0.00000 -0.00013 -0.00058 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 123 2S -0.00001 0.00000 -0.00001 -0.00015 -0.00016 124 2PX -0.00001 0.00000 -0.00003 -0.00017 -0.00018 125 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 126 2PZ -0.00002 0.00000 -0.00004 -0.00002 0.00018 127 3S -0.00003 -0.00001 0.00044 0.00071 -0.00008 128 3PX -0.00038 0.00000 -0.00139 -0.00064 -0.00045 129 3PY -0.00001 -0.00002 -0.00005 -0.00007 -0.00004 130 3PZ -0.00034 0.00000 -0.00007 0.00100 -0.00007 131 4XX 0.00000 0.00000 0.00000 0.00004 0.00004 132 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00001 133 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00003 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 -0.00007 0.00001 139 2PX 0.00000 0.00000 0.00000 -0.00023 0.00009 140 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00002 141 2PZ 0.00000 0.00000 0.00000 -0.00031 0.00010 142 3S 0.00000 -0.00002 -0.00038 -0.00190 0.00017 143 3PX 0.00007 -0.00012 -0.00016 -0.00155 0.00026 144 3PY -0.00009 0.00002 -0.00014 -0.00028 -0.00044 145 3PZ 0.00003 -0.00001 -0.00046 -0.00263 0.00062 146 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00002 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00002 155 2S 0.00001 0.00000 0.00004 -0.00002 -0.00010 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00014 -0.00002 158 21 H 1S 0.00000 0.00000 0.00000 -0.00008 -0.00006 159 2S 0.00018 -0.00001 0.00000 -0.00056 0.00109 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00002 -0.00001 163 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 164 2PZ 0.00000 0.00000 0.00000 0.00001 0.00002 165 3S 0.00000 0.00000 0.00000 0.00006 -0.00005 166 3PX 0.00000 0.00000 0.00001 0.00035 -0.00009 167 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00024 168 3PZ 0.00000 0.00000 0.00000 0.00015 0.00012 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 -0.00009 -0.00007 177 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00019 178 2PY 0.00000 0.00000 0.00000 0.00002 0.00004 179 2PZ 0.00000 0.00000 0.00000 -0.00006 -0.00031 180 3S -0.00010 0.00000 -0.00004 -0.00078 -0.00100 181 3PX -0.00014 -0.00001 -0.00005 -0.00049 -0.00116 182 3PY 0.00000 0.00000 -0.00001 0.00015 0.00019 183 3PZ -0.00010 -0.00001 0.00002 -0.00046 -0.00169 184 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 185 4YY 0.00000 0.00000 0.00000 0.00001 0.00002 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 189 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 76 77 78 79 80 76 3PY 0.08588 77 3PZ 0.00000 0.09074 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 0.00710 0.02917 0.00062 -0.00087 0.00098 85 2S 0.00656 0.02844 0.00050 -0.00155 0.00172 86 11 H 1S 0.00787 0.00549 0.00438 -0.00079 -0.00093 87 2S 0.00646 0.00408 0.00431 -0.00101 -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 0.00000 -0.00123 0.00000 0.00000 0.00000 93 3S 0.01958 0.00000 -0.00079 0.00369 -0.00124 94 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 3PY 0.01442 0.00000 -0.00111 0.00189 -0.00167 96 3PZ 0.00000 -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 -0.00202 -0.00076 0.00000 0.00003 0.00000 104 2S -0.00760 -0.00160 0.00013 -0.00003 0.00003 105 14 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 106 2S -0.00870 -0.00031 -0.00005 -0.00016 0.00020 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 -0.00001 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 0.00001 -0.00001 0.00000 0.00000 0.00000 113 3PX 0.00013 0.00005 0.00000 0.00000 0.00000 114 3PY -0.00001 0.00002 0.00000 0.00000 0.00000 115 3PZ 0.00006 -0.00007 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00001 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 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00035 0.00000 0.00000 0.00000 124 2PX 0.00001 -0.00008 0.00000 0.00000 0.00000 125 2PY 0.00003 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00002 -0.00037 0.00000 0.00000 0.00001 127 3S 0.00000 0.00096 0.00000 -0.00002 0.00004 128 3PX 0.00004 -0.00201 -0.00002 -0.00004 0.00017 129 3PY -0.00002 -0.00009 0.00000 0.00000 0.00000 130 3PZ 0.00005 0.00026 -0.00006 -0.00006 0.00016 131 4XX 0.00000 -0.00011 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00015 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 136 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 -0.00004 0.00000 0.00000 0.00000 139 2PX -0.00007 -0.00029 0.00000 0.00000 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00016 -0.00029 0.00000 0.00000 0.00000 142 3S -0.00011 -0.00170 0.00001 0.00000 0.00000 143 3PX -0.00060 -0.00095 0.00001 -0.00001 0.00000 144 3PY 0.00001 -0.00014 0.00000 0.00001 -0.00001 145 3PZ -0.00038 -0.00168 0.00002 -0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00002 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 155 2S 0.00003 0.00049 0.00000 0.00000 -0.00001 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00008 0.00006 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00010 0.00006 0.00001 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 165 3S -0.00001 0.00012 0.00000 0.00000 0.00000 166 3PX -0.00017 0.00008 0.00000 0.00000 0.00000 167 3PY -0.00002 0.00010 0.00000 0.00000 0.00000 168 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S -0.00001 0.00001 0.00000 0.00000 0.00000 177 2PX -0.00004 0.00028 0.00000 0.00000 0.00000 178 2PY -0.00002 -0.00002 0.00000 0.00000 0.00000 179 2PZ -0.00004 0.00019 0.00000 0.00000 0.00000 180 3S -0.00007 -0.00014 0.00000 0.00000 0.00000 181 3PX -0.00026 0.00167 0.00001 0.00000 -0.00001 182 3PY -0.00015 -0.00013 0.00000 0.00000 0.00000 183 3PZ -0.00024 0.00090 0.00000 0.00000 -0.00001 184 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 185 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4XY 0.00096 82 4XZ 0.00000 0.00130 83 4YZ 0.00000 0.00000 0.00091 84 10 H 1S 0.00087 0.00338 0.00098 0.21529 85 2S 0.00021 0.00078 0.00021 0.11394 0.15893 86 11 H 1S 0.00195 0.00104 0.00021 -0.00052 -0.00817 87 2S 0.00042 0.00029 0.00003 -0.00841 -0.02546 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 -0.00793 94 3PX 0.00074 0.00000 0.00000 -0.00056 -0.00243 95 3PY 0.00000 0.00000 0.00000 -0.00202 -0.00760 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 0.00003 0.00000 0.00003 -0.00005 -0.00202 104 2S 0.00017 -0.00003 0.00015 -0.00202 -0.00835 105 14 H 1S 0.00005 0.00000 0.00000 0.00000 0.00038 106 2S 0.00028 -0.00001 0.00002 0.00041 0.00361 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 0.00000 0.00000 0.00000 0.00002 113 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00001 124 2PX 0.00000 0.00001 0.00000 0.00000 0.00005 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00001 0.00000 0.00000 0.00007 127 3S 0.00000 0.00002 0.00000 0.00000 0.00004 128 3PX 0.00000 0.00009 0.00000 0.00004 0.00100 129 3PY 0.00000 0.00000 -0.00001 0.00000 0.00008 130 3PZ 0.00000 0.00014 0.00000 0.00002 0.00076 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00001 0.00001 0.00000 0.00012 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 145 3PZ 0.00000 0.00001 0.00001 0.00000 0.00015 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00008 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00004 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 11 H 1S 0.21593 87 2S 0.11187 0.16629 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 0.41187 91 2PY -0.00032 -0.00464 0.00000 0.00000 0.00000 92 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 93 3S -0.00122 -0.00090 -0.03425 0.22724 0.00000 94 3PX -0.00112 -0.00407 0.00000 0.00000 0.10595 95 3PY -0.00278 -0.00870 0.00000 0.00000 0.00000 96 3PZ -0.00020 -0.00031 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 -0.00249 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 0.00000 0.00041 -0.00166 0.02734 0.04266 104 2S 0.00038 0.00361 -0.00064 0.00994 0.02850 105 14 H 1S -0.00003 -0.00165 -0.00170 0.02784 0.07933 106 2S -0.00165 -0.00908 -0.00043 0.00951 0.05033 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00016 0.00000 0.00000 0.00000 109 2PX 0.00000 -0.00018 0.00000 0.00000 0.00000 110 2PY 0.00000 -0.00006 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 3S -0.00011 -0.00101 0.00000 -0.00002 -0.00006 113 3PX 0.00017 0.00046 0.00000 0.00002 0.00014 114 3PY 0.00009 0.00062 0.00000 0.00000 0.00003 115 3PZ -0.00022 0.00006 0.00000 -0.00001 -0.00013 116 4XX 0.00000 0.00004 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00002 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 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00017 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00012 0.00000 0.00000 0.00000 125 2PY 0.00000 -0.00003 0.00000 0.00000 0.00000 126 2PZ -0.00001 -0.00126 0.00000 0.00000 0.00000 127 3S -0.00007 -0.00144 0.00000 -0.00017 0.00000 128 3PX -0.00022 -0.00106 0.00001 -0.00011 0.00007 129 3PY -0.00006 -0.00020 0.00000 -0.00002 -0.00009 130 3PZ -0.00067 -0.00526 0.00001 -0.00033 0.00003 131 4XX 0.00000 -0.00007 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00011 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00002 0.00000 0.00000 -0.00001 139 2PX 0.00000 -0.00001 0.00000 -0.00001 -0.00001 140 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 141 2PZ 0.00000 -0.00001 0.00000 -0.00002 -0.00002 142 3S 0.00000 0.00028 0.00001 -0.00003 -0.00003 143 3PX 0.00002 0.00011 0.00002 -0.00065 -0.00038 144 3PY -0.00004 0.00013 0.00000 -0.00002 -0.00001 145 3PZ 0.00001 0.00001 0.00004 -0.00040 -0.00034 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00001 0.00025 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 155 2S 0.00001 0.00048 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00005 0.00000 0.00002 0.00001 158 21 H 1S 0.00000 -0.00038 0.00000 0.00000 0.00000 159 2S 0.00030 -0.00172 0.00000 -0.00002 0.00018 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00001 0.00000 0.00000 0.00000 162 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 165 3S 0.00000 0.00016 0.00000 -0.00001 -0.00010 166 3PX 0.00000 -0.00013 0.00000 -0.00005 -0.00014 167 3PY 0.00000 0.00017 0.00000 0.00000 0.00000 168 3PZ 0.00000 -0.00008 0.00000 -0.00002 -0.00010 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2S 0.00000 0.00014 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00058 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00128 0.00000 0.00000 0.00000 180 3S -0.00014 0.00092 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00353 0.00000 0.00001 0.00000 182 3PY 0.00000 0.00007 0.00000 0.00000 0.00000 183 3PZ -0.00002 0.00671 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 -0.00008 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00004 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 2PY 0.38124 92 2PZ 0.00000 0.38896 93 3S 0.00000 0.00000 0.30210 94 3PX 0.00000 0.00000 0.00000 0.08585 95 3PY 0.09886 0.00000 0.00000 0.00000 0.08588 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 0.00966 0.04456 0.03402 0.02647 0.00710 104 2S 0.00581 0.02893 0.01332 0.02783 0.00656 105 14 H 1S 0.01254 0.00673 0.03034 0.05115 0.00787 106 2S 0.00744 0.00404 -0.00478 0.04890 0.00646 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 -0.00004 0.00000 109 2PX 0.00000 0.00000 -0.00002 -0.00005 0.00000 110 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 111 2PZ 0.00000 0.00000 -0.00003 -0.00006 0.00001 112 3S 0.00000 0.00000 -0.00008 -0.00026 0.00001 113 3PX 0.00002 0.00001 0.00016 0.00044 0.00013 114 3PY 0.00000 0.00000 0.00001 -0.00001 -0.00001 115 3PZ 0.00001 0.00000 -0.00013 -0.00058 0.00006 116 4XX 0.00000 0.00000 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00007 0.00001 0.00001 124 2PX 0.00000 0.00000 -0.00023 0.00009 -0.00007 125 2PY 0.00000 0.00000 -0.00005 -0.00002 0.00001 126 2PZ 0.00000 0.00000 -0.00031 0.00010 -0.00016 127 3S -0.00002 -0.00038 -0.00190 0.00017 -0.00011 128 3PX -0.00012 -0.00016 -0.00155 0.00026 -0.00060 129 3PY 0.00002 -0.00014 -0.00028 -0.00044 0.00001 130 3PZ -0.00001 -0.00046 -0.00263 0.00062 -0.00038 131 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 138 2S 0.00000 -0.00001 -0.00015 -0.00016 0.00000 139 2PX 0.00000 -0.00003 -0.00017 -0.00018 0.00001 140 2PY 0.00000 0.00000 0.00000 -0.00001 0.00003 141 2PZ 0.00000 -0.00004 -0.00002 0.00018 0.00002 142 3S -0.00001 0.00044 0.00071 -0.00008 0.00000 143 3PX 0.00000 -0.00139 -0.00064 -0.00045 0.00004 144 3PY -0.00002 -0.00005 -0.00007 -0.00004 -0.00002 145 3PZ 0.00000 -0.00007 0.00100 -0.00007 0.00005 146 4XX 0.00000 0.00000 0.00004 0.00004 0.00000 147 4YY 0.00000 0.00000 -0.00002 -0.00001 0.00000 148 4ZZ 0.00000 0.00000 0.00001 -0.00003 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00002 0.00001 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00014 -0.00002 0.00008 156 20 H 1S 0.00000 0.00000 -0.00001 -0.00002 0.00000 157 2S 0.00000 0.00004 -0.00002 -0.00010 0.00003 158 21 H 1S 0.00000 0.00000 -0.00008 -0.00006 0.00000 159 2S -0.00001 0.00000 -0.00056 0.00109 -0.00010 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 -0.00009 -0.00007 -0.00001 162 2PX 0.00000 0.00000 -0.00006 -0.00019 -0.00004 163 2PY 0.00000 0.00000 0.00002 0.00004 -0.00002 164 2PZ 0.00000 0.00000 -0.00006 -0.00031 -0.00004 165 3S 0.00000 -0.00004 -0.00078 -0.00100 -0.00007 166 3PX -0.00001 -0.00005 -0.00049 -0.00116 -0.00026 167 3PY 0.00000 -0.00001 0.00015 0.00019 -0.00015 168 3PZ -0.00001 0.00002 -0.00046 -0.00169 -0.00024 169 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 170 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00001 0.00002 0.00000 174 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00002 -0.00001 -0.00002 178 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 179 2PZ 0.00000 0.00000 0.00001 0.00002 -0.00001 180 3S 0.00000 0.00000 0.00006 -0.00005 -0.00001 181 3PX 0.00000 0.00001 0.00035 -0.00009 -0.00017 182 3PY 0.00000 0.00000 -0.00004 -0.00024 -0.00002 183 3PZ 0.00000 0.00000 0.00015 0.00012 -0.00007 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 3PZ 0.09074 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 0.02917 0.00062 -0.00087 0.00098 0.00087 104 2S 0.02844 0.00050 -0.00155 0.00172 0.00021 105 14 H 1S 0.00549 0.00438 -0.00079 -0.00093 0.00195 106 2S 0.00408 0.00431 -0.00101 -0.00230 0.00042 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 0.00000 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 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00005 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00004 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00029 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ -0.00029 0.00000 0.00000 0.00000 0.00000 127 3S -0.00170 0.00001 0.00000 0.00000 0.00000 128 3PX -0.00095 0.00001 -0.00001 0.00000 0.00000 129 3PY -0.00014 0.00000 0.00001 -0.00001 0.00000 130 3PZ -0.00168 0.00002 -0.00001 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 138 2S -0.00035 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00037 0.00000 0.00000 0.00001 0.00000 142 3S 0.00096 0.00000 -0.00002 0.00004 0.00000 143 3PX -0.00201 -0.00002 -0.00004 0.00017 0.00000 144 3PY -0.00009 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00026 -0.00006 -0.00006 0.00016 0.00000 146 4XX -0.00011 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00015 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00002 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00006 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 157 2S 0.00049 0.00000 0.00000 -0.00001 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00006 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00001 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00028 0.00000 0.00000 0.00000 0.00000 163 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00019 0.00000 0.00000 0.00000 0.00000 165 3S -0.00014 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00167 0.00001 0.00000 -0.00001 0.00000 167 3PY -0.00013 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00090 0.00000 0.00000 -0.00001 0.00000 169 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 170 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00012 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00008 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00010 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 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 0.00338 0.00098 0.21529 104 2S 0.00078 0.00021 0.11394 0.15893 105 14 H 1S 0.00104 0.00021 -0.00052 -0.00817 0.21593 106 2S 0.00029 0.00003 -0.00841 -0.02546 0.11187 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 0.00000 0.00000 0.00002 -0.00011 113 3PX 0.00000 0.00000 0.00000 -0.00002 0.00017 114 3PY 0.00000 0.00000 0.00000 -0.00001 0.00009 115 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00022 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00001 0.00000 0.00012 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00003 0.00002 129 3PY 0.00000 0.00000 0.00000 0.00003 -0.00004 130 3PZ 0.00001 0.00001 0.00000 0.00015 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00001 0.00000 139 2PX 0.00001 0.00000 0.00000 0.00005 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00001 0.00000 0.00000 0.00007 -0.00001 142 3S 0.00002 0.00000 0.00000 0.00004 -0.00007 143 3PX 0.00009 0.00000 0.00004 0.00100 -0.00022 144 3PY 0.00000 -0.00001 0.00000 0.00008 -0.00006 145 3PZ 0.00014 0.00000 0.00002 0.00076 -0.00067 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00006 0.00001 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00008 0.00030 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00004 -0.00014 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 -0.00002 -0.00002 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.16629 107 15 C 1S 0.00001 2.04980 108 2S -0.00016 -0.01427 0.34291 109 2PX -0.00018 0.00000 0.00000 0.42805 110 2PY -0.00006 0.00000 0.00000 0.00000 0.29269 111 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 112 3S -0.00101 -0.02762 0.21128 0.00000 0.00000 113 3PX 0.00046 0.00000 0.00000 0.08854 0.00000 114 3PY 0.00062 0.00000 0.00000 0.00000 0.04043 115 3PZ 0.00006 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00004 -0.00141 0.00019 0.00000 0.00000 117 4YY 0.00002 -0.00104 -0.00728 0.00000 0.00000 118 4ZZ -0.00005 -0.00140 -0.00031 0.00000 0.00000 119 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00002 0.00000 -0.00016 -0.00038 -0.00003 124 2PX -0.00001 0.00000 -0.00030 -0.00036 -0.00032 125 2PY 0.00004 0.00000 -0.00018 -0.00014 0.00000 126 2PZ -0.00001 0.00000 -0.00012 -0.00041 -0.00029 127 3S 0.00028 0.00006 -0.00090 -0.00264 0.00040 128 3PX 0.00011 0.00014 -0.00167 -0.00116 -0.00157 129 3PY 0.00013 0.00007 -0.00102 -0.00012 -0.00078 130 3PZ 0.00001 0.00002 0.00026 -0.00122 -0.00112 131 4XX 0.00000 0.00000 0.00001 0.00005 0.00000 132 4YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 133 4ZZ 0.00000 0.00000 0.00002 0.00006 0.00003 134 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 135 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 136 4YZ -0.00001 0.00000 0.00002 0.00004 0.00000 137 17 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 138 2S -0.00017 0.00000 -0.00016 -0.00038 -0.00003 139 2PX -0.00012 0.00000 -0.00030 -0.00036 -0.00032 140 2PY -0.00003 0.00000 -0.00018 -0.00014 0.00000 141 2PZ -0.00126 0.00000 -0.00012 -0.00041 -0.00029 142 3S -0.00144 0.00006 -0.00090 -0.00264 0.00040 143 3PX -0.00106 0.00014 -0.00167 -0.00116 -0.00157 144 3PY -0.00020 0.00007 -0.00102 -0.00012 -0.00078 145 3PZ -0.00526 0.00002 0.00026 -0.00122 -0.00112 146 4XX -0.00007 0.00000 0.00001 0.00005 0.00000 147 4YY 0.00002 0.00000 -0.00001 -0.00002 0.00000 148 4ZZ 0.00011 0.00000 0.00002 0.00006 0.00003 149 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 151 4YZ 0.00000 0.00000 0.00002 0.00004 0.00000 152 18 H 1S 0.00001 -0.00189 0.03335 0.09741 0.00000 153 2S 0.00025 -0.00112 0.01682 0.05688 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00005 0.00000 0.00020 0.00020 0.00017 156 20 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 157 2S 0.00048 0.00000 0.00020 0.00020 0.00017 158 21 H 1S -0.00038 -0.00189 0.03298 0.00488 0.00000 159 2S -0.00172 -0.00105 0.01599 0.00409 0.00000 160 22 O 1S -0.00001 0.00000 -0.00001 -0.00012 -0.00042 161 2S 0.00014 -0.00001 0.00022 0.00238 0.00832 162 2PX 0.00058 -0.00005 0.00251 -0.00016 0.00934 163 2PY 0.00001 -0.00022 0.01257 0.01062 0.02342 164 2PZ 0.00128 -0.00005 0.00249 0.00213 0.01090 165 3S 0.00092 0.00084 -0.01440 0.00278 0.00788 166 3PX 0.00353 -0.00032 0.00324 -0.00392 0.00863 167 3PY 0.00007 -0.00300 0.02932 0.01402 0.01970 168 3PZ 0.00671 -0.00029 0.00287 0.00123 0.01198 169 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 170 4YY -0.00008 -0.00016 0.00280 0.00180 0.00191 171 4ZZ 0.00005 0.00000 -0.00007 0.00002 -0.00017 172 4XY 0.00000 -0.00006 0.00071 0.00006 0.00036 173 4XZ 0.00004 -0.00001 0.00011 0.00003 0.00010 174 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 175 23 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 176 2S 0.00001 -0.00001 0.00022 0.00238 0.00832 177 2PX -0.00001 -0.00005 0.00251 -0.00016 0.00934 178 2PY 0.00001 -0.00022 0.01256 0.01062 0.02341 179 2PZ -0.00001 -0.00005 0.00249 0.00213 0.01090 180 3S 0.00016 0.00084 -0.01440 0.00278 0.00788 181 3PX -0.00013 -0.00032 0.00324 -0.00392 0.00863 182 3PY 0.00017 -0.00300 0.02932 0.01402 0.01970 183 3PZ -0.00008 -0.00029 0.00287 0.00123 0.01198 184 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 185 4YY 0.00000 -0.00016 0.00280 0.00180 0.00191 186 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 187 4XY 0.00000 -0.00006 0.00071 0.00006 0.00036 188 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 189 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 111 112 113 114 115 111 2PZ 0.42487 112 3S 0.00000 0.23348 113 3PX 0.00000 0.00000 0.06207 114 3PY 0.00000 0.00000 0.00000 0.02606 115 3PZ 0.08272 0.00000 0.00000 0.00000 0.06494 116 4XX 0.00000 0.00151 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00812 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00201 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 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 123 2S -0.00024 -0.00098 -0.00203 -0.00026 -0.00154 124 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00361 125 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 126 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 127 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 128 3PX -0.00288 -0.00488 -0.00073 -0.00141 -0.00620 129 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 130 3PZ 0.00021 0.00277 -0.00117 -0.00109 0.00048 131 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 132 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 133 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 134 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 135 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 136 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 137 17 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 138 2S -0.00024 -0.00098 -0.00203 -0.00026 -0.00154 139 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00361 140 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 141 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 142 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 143 3PX -0.00288 -0.00488 -0.00073 -0.00141 -0.00620 144 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 145 3PZ 0.00021 0.00277 -0.00116 -0.00109 0.00048 146 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 147 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 148 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 149 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 150 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 151 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 152 18 H 1S 0.00385 0.03985 0.04873 0.00000 0.00026 153 2S 0.00314 0.02109 0.04010 0.00000 -0.00020 154 19 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 155 2S 0.00029 0.00131 0.00123 0.00115 0.00056 156 20 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 157 2S 0.00029 0.00131 0.00123 0.00115 0.00056 158 21 H 1S 0.09572 0.04348 0.00168 0.00000 0.04186 159 2S 0.05685 0.03018 0.00184 0.00000 0.02575 160 22 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 161 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00118 162 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 163 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 164 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 165 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00504 166 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 167 3PY 0.01545 0.02200 0.00668 -0.00009 0.00682 168 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00837 169 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 170 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 171 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 172 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 173 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 174 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 175 23 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 176 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00118 177 2PX 0.00233 0.00165 0.00018 0.00390 0.00263 178 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 179 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 180 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00504 181 3PX 0.00160 0.00174 0.00062 0.00455 0.00430 182 3PY 0.01545 0.02200 0.00668 -0.00009 0.00682 183 3PZ -0.00395 -0.00041 0.00232 0.00761 0.00837 184 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 185 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 186 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 187 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 188 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 189 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00041 0.00343 118 4ZZ -0.00055 -0.00046 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 124 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 125 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 126 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 127 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 128 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 129 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 130 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 131 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 139 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 140 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 141 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 142 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 143 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 144 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 145 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00897 -0.00137 -0.00146 0.00000 0.00049 153 2S 0.00902 -0.00240 -0.00536 0.00000 0.00008 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 158 21 H 1S -0.00142 -0.00145 0.00894 0.00000 0.00061 159 2S -0.00569 -0.00314 0.01031 0.00000 0.00010 160 22 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 161 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 162 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 163 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 164 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 165 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 166 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 167 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 168 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 169 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 170 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 171 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 172 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 173 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 175 23 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 176 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 177 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 178 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 179 2PZ 0.00031 0.00163 0.00002 0.00135 -0.00001 180 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 181 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 182 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 183 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 184 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 185 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 186 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 187 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 188 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S 0.00000 -0.01389 0.33288 124 2PX 0.00004 0.00000 0.00000 0.34621 125 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 126 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 128 3PX 0.00002 0.00000 0.00000 0.09507 0.00000 129 3PY -0.00005 0.00000 0.00000 0.00000 0.07004 130 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00001 -0.00093 -0.00929 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 133 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 138 2S 0.00000 -0.00065 0.01384 0.00000 0.04297 139 2PX 0.00004 0.00000 0.00000 0.01640 0.00000 140 2PY 0.00000 -0.00286 0.04297 0.00000 0.10300 141 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00011 0.00956 0.00000 0.03203 143 3PX 0.00002 0.00000 0.00000 0.02166 0.00000 144 3PY -0.00005 -0.00013 0.01037 0.00000 0.01886 145 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00001 0.00000 -0.00061 0.00000 -0.00167 147 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 148 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 149 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00017 0.00068 0.00002 154 19 H 1S 0.00000 -0.00236 0.03823 0.00581 0.03853 155 2S 0.00000 -0.00192 0.02241 0.00247 0.02222 156 20 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 157 2S 0.00000 0.00024 -0.00382 -0.00027 -0.00595 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00009 -0.00002 -0.00002 160 22 O 1S -0.00005 0.00000 0.00000 0.00000 0.00000 161 2S 0.00114 0.00000 -0.00003 -0.00003 -0.00007 162 2PX 0.00132 0.00000 -0.00005 0.00010 -0.00012 163 2PY 0.00250 0.00000 -0.00016 -0.00010 -0.00034 164 2PZ -0.00012 0.00000 0.00000 -0.00008 -0.00014 165 3S 0.00088 -0.00001 -0.00015 -0.00043 0.00138 166 3PX 0.00085 0.00004 -0.00104 0.00070 -0.00111 167 3PY 0.00103 0.00011 -0.00329 -0.00122 -0.00346 168 3PZ 0.00059 -0.00001 0.00015 -0.00130 -0.00196 169 4XX -0.00006 0.00000 0.00000 -0.00001 -0.00005 170 4YY 0.00018 0.00000 -0.00003 -0.00001 -0.00005 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 172 4XY 0.00007 0.00000 0.00002 0.00002 0.00012 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 175 23 O 1S -0.00005 0.00000 -0.00006 -0.00048 -0.00006 176 2S 0.00114 -0.00002 0.00104 0.00849 0.00171 177 2PX 0.00132 -0.00024 0.01219 0.01590 0.00661 178 2PY 0.00250 -0.00005 0.00218 0.00602 -0.00067 179 2PZ -0.00012 -0.00011 0.00477 0.01887 0.00318 180 3S 0.00088 0.00061 -0.00735 0.01469 -0.00371 181 3PX 0.00085 -0.00226 0.02342 0.01029 0.00755 182 3PY 0.00103 -0.00071 0.00625 0.00942 -0.00375 183 3PZ 0.00059 -0.00096 0.00742 0.01888 0.00399 184 4XX -0.00006 -0.00009 0.00127 -0.00098 0.00104 185 4YY 0.00018 -0.00001 0.00012 0.00061 0.00000 186 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 187 4XY 0.00007 -0.00008 0.00088 0.00084 0.00020 188 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 189 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 126 127 128 129 130 126 2PZ 0.37882 127 3S 0.00000 0.30238 128 3PX 0.00000 0.00000 0.10751 129 3PY 0.00000 0.00000 0.00000 0.05313 130 3PZ 0.09297 0.00000 0.00000 0.00000 0.09326 131 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 138 2S 0.00000 0.00956 0.00000 0.01037 0.00000 139 2PX 0.00000 0.00000 0.02166 0.00000 0.00000 140 2PY 0.00000 0.03203 0.00000 0.01886 0.00000 141 2PZ 0.01211 0.00000 0.00000 0.00000 0.01873 142 3S 0.00000 -0.01174 0.00000 -0.00774 0.00000 143 3PX 0.00000 0.00000 0.02493 0.00000 0.00000 144 3PY 0.00000 -0.00774 0.00000 0.00238 0.00000 145 3PZ 0.01873 0.00000 0.00000 0.00000 0.02710 146 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 147 4YY 0.00000 0.00361 0.00000 0.00143 0.00000 148 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 149 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 152 18 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 153 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 154 19 H 1S 0.05489 0.05282 0.00177 0.01253 0.02525 155 2S 0.03132 0.03771 -0.00039 0.01031 0.02356 156 20 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 157 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 158 21 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 159 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 160 22 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 161 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 162 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 163 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 164 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 165 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 166 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 167 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 168 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 169 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 170 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 171 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 172 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 175 23 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 176 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 177 2PX 0.01963 0.00361 0.00059 0.00087 0.00354 178 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 179 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 180 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 181 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 182 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 183 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 184 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 185 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 186 4ZZ -0.00046 0.00073 0.00113 0.00015 -0.00059 187 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 188 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 189 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00027 0.00124 133 4ZZ -0.00019 -0.00008 0.00166 134 4XY 0.00000 0.00000 0.00000 0.00146 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 138 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 140 2PY -0.00167 0.00315 -0.00128 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 144 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 147 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 148 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00009 0.00001 0.00003 0.00000 0.00001 154 19 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 155 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 163 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 165 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 166 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 167 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 168 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 176 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 177 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 178 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 179 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 180 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 181 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 182 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 183 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 184 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 185 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 186 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 187 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 188 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 189 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00000 2.05255 138 2S 0.00000 -0.01389 0.33288 139 2PX 0.00000 0.00000 0.00000 0.34621 140 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 141 2PZ 0.00234 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.09507 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.07004 145 3PZ 0.00113 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 147 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 148 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ -0.00018 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00001 0.00000 0.00017 0.00068 0.00002 154 19 H 1S 0.00377 0.00000 -0.00020 -0.00001 -0.00045 155 2S 0.00064 0.00024 -0.00382 -0.00027 -0.00595 156 20 H 1S 0.00004 -0.00236 0.03823 0.00581 0.03854 157 2S 0.00022 -0.00192 0.02241 0.00247 0.02222 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00001 0.00000 0.00009 -0.00002 -0.00002 160 22 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 161 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 162 2PX 0.00001 -0.00024 0.01219 0.01590 0.00661 163 2PY 0.00001 -0.00005 0.00218 0.00602 -0.00067 164 2PZ 0.00000 -0.00011 0.00477 0.01887 0.00318 165 3S 0.00000 0.00061 -0.00735 0.01469 -0.00371 166 3PX 0.00007 -0.00226 0.02342 0.01029 0.00755 167 3PY 0.00009 -0.00071 0.00625 0.00942 -0.00375 168 3PZ -0.00001 -0.00096 0.00742 0.01888 0.00399 169 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 170 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 171 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 172 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 173 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 174 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 175 23 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 176 2S 0.00056 0.00000 -0.00003 -0.00003 -0.00007 177 2PX 0.00116 0.00000 -0.00005 0.00010 -0.00012 178 2PY 0.00016 0.00000 -0.00016 -0.00010 -0.00034 179 2PZ -0.00003 0.00000 0.00000 -0.00008 -0.00014 180 3S 0.00085 -0.00001 -0.00015 -0.00043 0.00138 181 3PX 0.00070 0.00004 -0.00104 0.00070 -0.00111 182 3PY 0.00045 0.00011 -0.00329 -0.00122 -0.00346 183 3PZ 0.00002 -0.00001 0.00015 -0.00130 -0.00196 184 4XX -0.00001 0.00000 0.00000 -0.00001 -0.00005 185 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00005 186 4ZZ -0.00001 0.00000 0.00000 0.00001 -0.00002 187 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 189 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 141 142 143 144 145 141 2PZ 0.37882 142 3S 0.00000 0.30238 143 3PX 0.00000 0.00000 0.10751 144 3PY 0.00000 0.00000 0.00000 0.05313 145 3PZ 0.09297 0.00000 0.00000 0.00000 0.09327 146 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 153 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 154 19 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 155 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 156 20 H 1S 0.05488 0.05282 0.00177 0.01253 0.02525 157 2S 0.03132 0.03771 -0.00039 0.01031 0.02356 158 21 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 159 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 160 22 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 161 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 162 2PX 0.01963 0.00361 0.00059 0.00087 0.00354 163 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 164 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 165 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 166 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 167 3PY 0.00481 0.00726 -0.00034 0.01064 0.00017 168 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 169 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 170 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 171 4ZZ -0.00046 0.00073 0.00113 0.00015 -0.00059 172 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 173 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 174 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 175 23 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 176 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 177 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 178 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 179 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 180 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 181 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 182 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 183 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 184 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 185 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 186 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 187 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00027 0.00124 148 4ZZ -0.00019 -0.00008 0.00166 149 4XY 0.00000 0.00000 0.00000 0.00146 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00009 0.00001 0.00003 0.00000 0.00001 154 19 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 155 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 156 20 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 157 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00009 0.00000 -0.00016 -0.00001 -0.00003 160 22 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 161 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 162 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 163 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 164 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 165 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 166 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 167 3PY 0.00147 -0.00054 0.00045 0.00071 0.00076 168 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 169 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 170 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 171 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 172 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 173 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 174 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 178 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 180 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 181 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 182 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 183 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S 0.00000 0.22350 153 2S -0.00001 0.11454 0.16571 154 19 H 1S 0.00004 0.00000 0.00000 0.21549 155 2S 0.00022 0.00000 0.00008 0.10062 0.12396 156 20 H 1S 0.00377 0.00000 0.00000 0.00000 -0.00015 157 2S 0.00064 0.00000 0.00008 -0.00015 0.00011 158 21 H 1S 0.00000 -0.00073 -0.01185 0.00000 -0.00001 159 2S 0.00001 -0.01284 -0.04733 -0.00001 -0.00038 160 22 O 1S -0.00003 0.00000 0.00006 0.00000 0.00000 161 2S 0.00056 -0.00005 -0.00107 0.00000 0.00003 162 2PX 0.00116 -0.00023 -0.00553 0.00000 0.00010 163 2PY 0.00016 -0.00003 -0.00102 0.00000 0.00014 164 2PZ -0.00003 0.00003 0.00091 0.00000 -0.00001 165 3S 0.00085 -0.00165 -0.00220 0.00001 0.00029 166 3PX 0.00070 -0.00522 -0.02177 0.00002 0.00085 167 3PY 0.00045 -0.00040 -0.00266 0.00003 0.00122 168 3PZ 0.00002 0.00076 0.00434 0.00000 -0.00018 169 4XX -0.00001 0.00010 0.00072 0.00000 0.00000 170 4YY 0.00001 0.00000 -0.00028 0.00000 0.00002 171 4ZZ -0.00001 -0.00001 -0.00023 0.00000 -0.00001 172 4XY -0.00003 0.00003 -0.00009 0.00000 0.00000 173 4XZ 0.00000 0.00001 0.00002 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00001 0.00000 -0.00001 175 23 O 1S 0.00000 0.00000 0.00006 0.00000 0.00016 176 2S 0.00000 -0.00005 -0.00107 -0.00006 -0.00225 177 2PX 0.00001 -0.00023 -0.00553 -0.00004 -0.00058 178 2PY 0.00001 -0.00003 -0.00102 -0.00001 -0.00012 179 2PZ 0.00000 0.00003 0.00091 -0.00014 -0.00325 180 3S 0.00000 -0.00165 -0.00220 -0.00308 -0.01369 181 3PX 0.00007 -0.00522 -0.02177 -0.00017 0.00033 182 3PY 0.00009 -0.00040 -0.00267 -0.00010 -0.00030 183 3PZ -0.00001 0.00076 0.00434 -0.00288 -0.01157 184 4XX 0.00000 0.00010 0.00072 0.00003 0.00011 185 4YY 0.00000 0.00000 -0.00028 0.00000 0.00015 186 4ZZ 0.00000 -0.00001 -0.00023 0.00008 0.00047 187 4XY 0.00000 0.00003 -0.00009 0.00001 0.00002 188 4XZ 0.00000 0.00001 0.00002 0.00006 0.00007 189 4YZ 0.00000 0.00000 0.00001 0.00001 0.00004 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.10062 0.12396 158 21 H 1S 0.00000 -0.00001 0.22401 159 2S -0.00001 -0.00038 0.12138 0.19878 160 22 O 1S 0.00000 0.00016 0.00000 0.00005 2.07557 161 2S -0.00006 -0.00225 -0.00004 -0.00073 -0.04159 162 2PX -0.00004 -0.00058 0.00002 0.00089 0.00000 163 2PY -0.00001 -0.00012 -0.00003 -0.00090 0.00000 164 2PZ -0.00014 -0.00325 -0.00026 -0.00756 0.00000 165 3S -0.00308 -0.01369 -0.00186 -0.00585 -0.04102 166 3PX -0.00017 0.00033 0.00062 0.00419 0.00000 167 3PY -0.00010 -0.00030 -0.00064 -0.00312 0.00000 168 3PZ -0.00288 -0.01157 -0.00614 -0.03003 0.00000 169 4XX 0.00003 0.00011 -0.00001 -0.00022 -0.00051 170 4YY 0.00000 0.00015 0.00000 -0.00014 -0.00042 171 4ZZ 0.00008 0.00047 0.00009 0.00078 -0.00047 172 4XY 0.00001 0.00002 0.00000 0.00002 0.00000 173 4XZ 0.00006 0.00007 0.00001 0.00003 0.00000 174 4YZ 0.00001 0.00004 0.00003 -0.00016 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00005 0.00000 176 2S 0.00000 0.00003 -0.00004 -0.00073 0.00000 177 2PX 0.00000 0.00010 0.00002 0.00089 0.00000 178 2PY 0.00000 0.00014 -0.00003 -0.00090 0.00000 179 2PZ 0.00000 -0.00001 -0.00026 -0.00756 0.00000 180 3S 0.00001 0.00029 -0.00186 -0.00585 -0.00002 181 3PX 0.00002 0.00085 0.00062 0.00419 0.00000 182 3PY 0.00003 0.00122 -0.00064 -0.00312 0.00002 183 3PZ 0.00000 -0.00018 -0.00614 -0.03003 0.00000 184 4XX 0.00000 0.00000 -0.00001 -0.00022 0.00000 185 4YY 0.00000 0.00002 0.00000 -0.00014 0.00000 186 4ZZ 0.00000 -0.00001 0.00009 0.00078 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 188 4XZ 0.00000 0.00000 0.00001 0.00003 0.00000 189 4YZ 0.00000 -0.00001 0.00003 -0.00016 0.00000 161 162 163 164 165 161 2S 0.50359 162 2PX 0.00000 0.64791 163 2PY 0.00000 0.00000 0.66561 164 2PZ 0.00000 0.00000 0.00000 0.71651 165 3S 0.45246 0.00000 0.00000 0.00000 0.75618 166 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.23211 0.00000 169 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 170 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 171 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 176 2S 0.00000 0.00000 -0.00001 0.00000 0.00039 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY -0.00001 0.00000 -0.00009 0.00000 -0.00113 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00039 0.00000 -0.00113 0.00000 0.00661 181 3PX 0.00000 0.00005 0.00000 0.00000 0.00000 182 3PY -0.00063 0.00000 -0.00629 0.00000 -0.00516 183 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 185 4YY 0.00000 0.00000 0.00001 0.00000 -0.00029 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 3PX 0.26578 167 3PY 0.00000 0.26979 168 3PZ 0.00000 0.00000 0.30850 169 4XX 0.00000 0.00000 0.00000 0.00104 170 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00002 0.00000 0.00000 0.00000 176 2S 0.00000 -0.00063 0.00000 0.00000 0.00000 177 2PX 0.00005 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 -0.00629 0.00000 0.00000 0.00001 179 2PZ 0.00000 0.00000 0.00014 0.00000 0.00000 180 3S 0.00000 -0.00516 0.00000 -0.00002 -0.00029 181 3PX 0.00052 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 -0.02518 0.00000 -0.00006 0.00002 183 3PZ 0.00000 0.00000 0.00163 0.00000 0.00000 184 4XX 0.00000 -0.00006 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00002 0.00000 0.00000 0.00003 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 4ZZ 0.00079 172 4XY 0.00000 0.00161 173 4XZ 0.00000 0.00000 0.00045 174 4YZ 0.00000 0.00000 0.00000 0.00151 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 2.07557 176 2S 0.00000 0.00000 0.00000 0.00000 -0.04159 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00002 0.00000 0.00000 0.00000 -0.04102 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY -0.00005 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00051 185 4YY 0.00000 0.00000 0.00000 0.00000 -0.00042 186 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00047 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 2S 0.50359 177 2PX 0.00000 0.64791 178 2PY 0.00000 0.00000 0.66561 179 2PZ 0.00000 0.00000 0.00000 0.71651 180 3S 0.45246 0.00000 0.00000 0.00000 0.75618 181 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.23211 0.00000 184 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 185 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 186 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 3PX 0.26578 182 3PY 0.00000 0.26980 183 3PZ 0.00000 0.00000 0.30850 184 4XX 0.00000 0.00000 0.00000 0.00104 185 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 186 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 187 188 189 186 4ZZ 0.00079 187 4XY 0.00000 0.00161 188 4XZ 0.00000 0.00000 0.00045 189 4YZ 0.00000 0.00000 0.00000 0.00151 Gross orbital populations: 1 1 1 C 1S 1.99262 2 2S 0.70383 3 2PX 0.61235 4 2PY 0.72535 5 2PZ 0.68245 6 3S 0.59619 7 3PX 0.32769 8 3PY 0.24311 9 3PZ 0.25794 10 4XX -0.01515 11 4YY 0.01157 12 4ZZ -0.00535 13 4XY 0.00395 14 4XZ 0.00662 15 4YZ 0.00631 16 2 H 1S 0.53359 17 2S 0.34361 18 3 C 1S 1.99191 19 2S 0.70501 20 2PX 0.64894 21 2PY 0.74795 22 2PZ 0.68316 23 3S 0.50002 24 3PX 0.32198 25 3PY 0.20203 26 3PZ 0.30108 27 4XX -0.01176 28 4YY 0.00155 29 4ZZ -0.00527 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 0.70501 37 2PX 0.64894 38 2PY 0.74795 39 2PZ 0.68316 40 3S 0.50002 41 3PX 0.32198 42 3PY 0.20203 43 3PZ 0.30108 44 4XX -0.01176 45 4YY 0.00155 46 4ZZ -0.00527 47 4XY 0.00869 48 4XZ 0.00540 49 4YZ 0.00997 50 6 H 1S 0.53307 51 2S 0.35110 52 7 C 1S 1.99262 53 2S 0.70383 54 2PX 0.61235 55 2PY 0.72535 56 2PZ 0.68245 57 3S 0.59619 58 3PX 0.32769 59 3PY 0.24311 60 3PZ 0.25794 61 4XX -0.01515 62 4YY 0.01157 63 4ZZ -0.00535 64 4XY 0.00395 65 4XZ 0.00662 66 4YZ 0.00631 67 8 H 1S 0.53359 68 2S 0.34361 69 9 C 1S 1.99220 70 2S 0.68132 71 2PX 0.72499 72 2PY 0.68460 73 2PZ 0.69614 74 3S 0.58935 75 3PX 0.33284 76 3PY 0.27010 77 3PZ 0.28727 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 0.32409 86 11 H 1S 0.53199 87 2S 0.32147 88 12 C 1S 1.99220 89 2S 0.68132 90 2PX 0.72499 91 2PY 0.68460 92 2PZ 0.69614 93 3S 0.58935 94 3PX 0.33284 95 3PY 0.27009 96 3PZ 0.28728 97 4XX 0.00505 98 4YY -0.00217 99 4ZZ -0.00062 100 4XY 0.00716 101 4XZ 0.00969 102 4YZ 0.00762 103 13 H 1S 0.52953 104 2S 0.32409 105 14 H 1S 0.53199 106 2S 0.32147 107 15 C 1S 1.99193 108 2S 0.70992 109 2PX 0.73003 110 2PY 0.53059 111 2PZ 0.72491 112 3S 0.45533 113 3PX 0.24767 114 3PY 0.09849 115 3PZ 0.23699 116 4XX 0.01406 117 4YY 0.00335 118 4ZZ 0.01373 119 4XY 0.01768 120 4XZ 0.00681 121 4YZ 0.01937 122 16 C 1S 1.99219 123 2S 0.70394 124 2PX 0.59316 125 2PY 0.75709 126 2PZ 0.65430 127 3S 0.49498 128 3PX 0.25385 129 3PY 0.17399 130 3PZ 0.26763 131 4XX -0.00742 132 4YY 0.00527 133 4ZZ -0.00003 134 4XY 0.01112 135 4XZ 0.01091 136 4YZ 0.01425 137 17 C 1S 1.99219 138 2S 0.70394 139 2PX 0.59316 140 2PY 0.75709 141 2PZ 0.65430 142 3S 0.49498 143 3PX 0.25385 144 3PY 0.17399 145 3PZ 0.26763 146 4XX -0.00742 147 4YY 0.00527 148 4ZZ -0.00003 149 4XY 0.01112 150 4XZ 0.01091 151 4YZ 0.01425 152 18 H 1S 0.54013 153 2S 0.30933 154 19 H 1S 0.52970 155 2S 0.30213 156 20 H 1S 0.52970 157 2S 0.30213 158 21 H 1S 0.54161 159 2S 0.31784 160 22 O 1S 1.99234 161 2S 0.89932 162 2PX 0.93697 163 2PY 0.96356 164 2PZ 1.01235 165 3S 1.00625 166 3PX 0.52123 167 3PY 0.55960 168 3PZ 0.56878 169 4XX 0.00128 170 4YY -0.00122 171 4ZZ -0.00484 172 4XY 0.00765 173 4XZ 0.00371 174 4YZ 0.00696 175 23 O 1S 1.99234 176 2S 0.89932 177 2PX 0.93697 178 2PY 0.96357 179 2PZ 1.01235 180 3S 1.00625 181 3PX 0.52123 182 3PY 0.55960 183 3PZ 0.56878 184 4XX 0.00128 185 4YY -0.00122 186 4ZZ -0.00484 187 4XY 0.00765 188 4XZ 0.00371 189 4YZ 0.00696 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.999267 0.361914 0.553424 -0.052127 -0.043945 0.006077 2 H 0.361914 0.613632 -0.042416 -0.007995 0.007379 -0.000145 3 C 0.553424 -0.042416 4.906236 0.367131 0.509922 -0.051751 4 H -0.052127 -0.007995 0.367131 0.624219 -0.051751 -0.007408 5 C -0.043945 0.007379 0.509922 -0.051751 4.906237 0.367131 6 H 0.006077 -0.000145 -0.051751 -0.007408 0.367131 0.624219 7 C -0.022711 0.000137 -0.043945 0.006077 0.553424 -0.052127 8 H 0.000137 -0.000004 0.007379 -0.000145 -0.042416 -0.007995 9 C 0.374477 -0.051199 -0.023518 0.005698 -0.031231 -0.000156 10 H -0.039434 -0.000656 -0.005863 -0.000050 0.001688 -0.000001 11 H -0.033816 -0.000666 0.003493 -0.000199 0.001074 0.000017 12 C -0.033023 0.005215 -0.031231 -0.000156 -0.023518 0.005698 13 H 0.002384 -0.000112 0.001688 -0.000001 -0.005863 -0.000050 14 H 0.001389 -0.000156 0.001074 0.000017 0.003493 -0.000199 15 C 0.000260 -0.000038 -0.000126 0.000000 -0.000126 0.000000 16 C 0.109652 -0.008903 -0.016894 0.000631 -0.022835 -0.000074 17 C -0.006324 0.001100 -0.022835 -0.000074 -0.016895 0.000631 18 H -0.000074 0.000000 0.000006 0.000000 0.000006 0.000000 19 H -0.018626 -0.000380 -0.004215 0.000298 0.002106 0.000020 20 H 0.001041 -0.000034 0.002106 0.000020 -0.004215 0.000298 21 H 0.000715 0.000009 -0.000062 0.000000 -0.000062 0.000000 22 O -0.000388 -0.000011 0.000474 0.000001 0.000580 -0.000014 23 O -0.010795 0.000523 0.000580 -0.000014 0.000474 0.000001 7 8 9 10 11 12 1 C -0.022711 0.000137 0.374477 -0.039434 -0.033816 -0.033023 2 H 0.000137 -0.000004 -0.051199 -0.000656 -0.000666 0.005215 3 C -0.043945 0.007379 -0.023518 -0.005863 0.003493 -0.031231 4 H 0.006077 -0.000145 0.005698 -0.000050 -0.000199 -0.000156 5 C 0.553424 -0.042416 -0.031231 0.001688 0.001074 -0.023518 6 H -0.052127 -0.007995 -0.000156 -0.000001 0.000017 0.005698 7 C 4.999268 0.361913 -0.033023 0.002384 0.001389 0.374477 8 H 0.361913 0.613632 0.005215 -0.000112 -0.000156 -0.051199 9 C -0.033023 0.005215 5.060585 0.375819 0.352747 0.333676 10 H 0.002384 -0.000112 0.375819 0.602092 -0.042569 -0.034061 11 H 0.001389 -0.000156 0.352747 -0.042569 0.605948 -0.027675 12 C 0.374477 -0.051199 0.333676 -0.034061 -0.027675 5.060585 13 H -0.039434 -0.000656 -0.034061 -0.012446 0.004405 0.375819 14 H -0.033816 -0.000666 -0.027675 0.004405 -0.012412 0.352747 15 C 0.000260 -0.000038 -0.000449 -0.000014 -0.000291 -0.000449 16 C -0.006324 0.001100 -0.004120 0.002064 -0.010505 -0.014419 17 C 0.109652 -0.008903 -0.014419 0.000341 0.000553 -0.004120 18 H -0.000074 0.000000 0.000065 -0.000002 0.000259 0.000065 19 H 0.001041 -0.000034 0.000461 -0.000059 0.000522 0.000286 20 H -0.018626 -0.000380 0.000286 0.000003 -0.000050 0.000461 21 H 0.000715 0.000009 0.000522 0.000088 -0.001803 0.000522 22 O -0.010795 0.000523 0.000320 -0.000028 0.000124 -0.004495 23 O -0.000388 -0.000011 -0.004495 0.000029 0.013076 0.000320 13 14 15 16 17 18 1 C 0.002384 0.001389 0.000260 0.109652 -0.006324 -0.000074 2 H -0.000112 -0.000156 -0.000038 -0.008903 0.001100 0.000000 3 C 0.001688 0.001074 -0.000126 -0.016894 -0.022835 0.000006 4 H -0.000001 0.000017 0.000000 0.000631 -0.000074 0.000000 5 C -0.005863 0.003493 -0.000126 -0.022835 -0.016895 0.000006 6 H -0.000050 -0.000199 0.000000 -0.000074 0.000631 0.000000 7 C -0.039434 -0.033816 0.000260 -0.006324 0.109652 -0.000074 8 H -0.000656 -0.000666 -0.000038 0.001100 -0.008903 0.000000 9 C -0.034061 -0.027675 -0.000449 -0.004120 -0.014419 0.000065 10 H -0.012446 0.004405 -0.000014 0.002064 0.000341 -0.000002 11 H 0.004405 -0.012412 -0.000291 -0.010505 0.000553 0.000259 12 C 0.375819 0.352747 -0.000449 -0.014419 -0.004120 0.000065 13 H 0.602092 -0.042569 -0.000014 0.000341 0.002064 -0.000002 14 H -0.042569 0.605948 -0.000291 0.000553 -0.010505 0.000259 15 C -0.000014 -0.000291 4.669071 -0.058175 -0.058175 0.366229 16 C 0.000341 0.000553 -0.058175 4.923711 0.490227 0.003982 17 C 0.002064 -0.010505 -0.058175 0.490227 4.923711 0.003982 18 H -0.000002 0.000259 0.366229 0.003982 0.003982 0.618281 19 H 0.000003 -0.000050 0.005649 0.381033 -0.042177 0.000081 20 H -0.000059 0.000522 0.005649 -0.042177 0.381033 0.000081 21 H 0.000088 -0.001803 0.360618 0.004888 0.004888 -0.072751 22 O 0.000029 0.013076 0.255654 -0.039178 0.230650 -0.035467 23 O -0.000028 0.000124 0.255654 0.230650 -0.039178 -0.035467 19 20 21 22 23 1 C -0.018626 0.001041 0.000715 -0.000388 -0.010795 2 H -0.000380 -0.000034 0.000009 -0.000011 0.000523 3 C -0.004215 0.002106 -0.000062 0.000474 0.000580 4 H 0.000298 0.000020 0.000000 0.000001 -0.000014 5 C 0.002106 -0.004215 -0.000062 0.000580 0.000474 6 H 0.000020 0.000298 0.000000 -0.000014 0.000001 7 C 0.001041 -0.018626 0.000715 -0.010795 -0.000388 8 H -0.000034 -0.000380 0.000009 0.000523 -0.000011 9 C 0.000461 0.000286 0.000522 0.000320 -0.004495 10 H -0.000059 0.000003 0.000088 -0.000028 0.000029 11 H 0.000522 -0.000050 -0.001803 0.000124 0.013076 12 C 0.000286 0.000461 0.000522 -0.004495 0.000320 13 H 0.000003 -0.000059 0.000088 0.000029 -0.000028 14 H -0.000050 0.000522 -0.001803 0.013076 0.000124 15 C 0.005649 0.005649 0.360618 0.255654 0.255654 16 C 0.381033 -0.042177 0.004888 -0.039178 0.230650 17 C -0.042177 0.381033 0.004888 0.230650 -0.039178 18 H 0.000081 0.000081 -0.072751 -0.035467 -0.035467 19 H 0.540693 -0.000192 -0.000394 0.002500 -0.036732 20 H -0.000192 0.540693 -0.000394 -0.036732 0.002500 21 H -0.000394 -0.000394 0.665553 -0.050949 -0.050949 22 O 0.002500 -0.036732 -0.050949 8.190566 -0.042486 23 O -0.036732 0.002500 -0.050949 -0.042486 8.190566 Mulliken charges: 1 1 C -0.149471 2 H 0.122806 3 C -0.110655 4 H 0.115827 5 C -0.110655 6 H 0.115827 7 C -0.149471 8 H 0.122806 9 C -0.285525 10 H 0.146380 11 H 0.146537 12 C -0.285525 13 H 0.146380 14 H 0.146537 15 C 0.199142 16 C 0.074774 17 C 0.074774 18 H 0.150540 19 H 0.168165 20 H 0.168166 21 H 0.140551 22 O -0.473954 23 O -0.473954 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.026665 3 C 0.005171 5 C 0.005171 7 C -0.026665 9 C 0.007392 12 C 0.007392 15 C 0.490233 16 C 0.242940 17 C 0.242940 22 O -0.473954 23 O -0.473954 APT charges: 1 1 C 0.123517 2 H -0.027089 3 C -0.099192 4 H 0.001912 5 C -0.099192 6 H 0.001912 7 C 0.123517 8 H -0.027089 9 C 0.068947 10 H -0.041897 11 H -0.021302 12 C 0.068947 13 H -0.041897 14 H -0.021302 15 C 0.788412 16 C 0.345738 17 C 0.345737 18 H -0.078326 19 H 0.008172 20 H 0.008173 21 H -0.070691 22 O -0.678505 23 O -0.678505 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.096428 3 C -0.097279 5 C -0.097280 7 C 0.096428 9 C 0.005749 12 C 0.005749 15 C 0.639394 16 C 0.353911 17 C 0.353910 22 O -0.678505 23 O -0.678505 Electronic spatial extent (au): = 1462.8819 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2910 Y= 0.0000 Z= -0.2503 Tot= 0.3838 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0626 YY= -66.2574 ZZ= -61.0977 XY= 0.0000 XZ= 2.5925 YZ= -0.0001 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5901 YY= -1.7848 ZZ= 3.3749 XY= 0.0000 XZ= 2.5925 YZ= -0.0001 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3329 YYY= 0.0003 ZZZ= -4.5901 XYY= -4.5856 XXY= -0.0001 XXZ= 2.3252 XZZ= 4.2921 YZZ= -0.0001 YYZ= -4.6299 XYZ= -0.0002 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3478 YYYY= -454.0211 ZZZZ= -400.8193 XXXY= -0.0005 XXXZ= 25.2428 YYYX= -0.0001 YYYZ= -0.0008 ZZZX= -1.4234 ZZZY= -0.0002 XXYY= -270.3076 XXZZ= -230.4597 YYZZ= -137.0181 XXYZ= -0.0008 YYXZ= 2.4744 ZZXY= 0.0001 N-N= 6.505320762410D+02 E-N=-2.466032623259D+03 KE= 4.958567078521D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176835 29.026208 2 O -19.176831 29.026295 3 O -10.292295 15.888379 4 O -10.238598 15.880970 5 O -10.238016 15.892084 6 O -10.186436 15.890011 7 O -10.186415 15.884503 8 O -10.180373 15.882765 9 O -10.180196 15.889178 10 O -10.169364 15.876087 11 O -10.168862 15.885790 12 O -1.107167 2.296507 13 O -1.013193 2.785727 14 O -0.829085 1.400528 15 O -0.765907 1.721678 16 O -0.733697 1.473754 17 O -0.728679 1.513931 18 O -0.643757 1.895236 19 O -0.614528 1.756496 20 O -0.603990 1.457235 21 O -0.584677 1.408521 22 O -0.532374 1.336071 23 O -0.511539 1.178826 24 O -0.494178 0.996042 25 O -0.470197 1.352489 26 O -0.446710 1.573926 27 O -0.443555 1.142911 28 O -0.441041 1.573863 29 O -0.405580 1.357448 30 O -0.397904 1.212966 31 O -0.389635 1.719090 32 O -0.384148 1.292331 33 O -0.373289 1.575259 34 O -0.355256 2.366377 35 O -0.348820 1.413681 36 O -0.328582 1.797043 37 O -0.319427 1.470109 38 O -0.317080 1.391307 39 O -0.286260 1.368458 40 O -0.198006 1.279525 41 O -0.185597 1.798748 42 V -0.006986 1.479521 43 V 0.010188 1.673711 44 V 0.083783 0.940066 45 V 0.112324 0.984489 46 V 0.119133 1.770303 47 V 0.122464 1.842747 48 V 0.123157 0.999982 49 V 0.135170 1.073462 50 V 0.144242 1.535468 51 V 0.145255 1.041194 52 V 0.163943 1.653338 53 V 0.171441 1.388378 54 V 0.177644 1.367820 55 V 0.192703 1.270994 56 V 0.197770 2.353406 57 V 0.203000 1.219641 58 V 0.228884 1.314356 59 V 0.236115 1.143568 60 V 0.242720 1.412635 61 V 0.249113 1.439826 62 V 0.304388 1.683484 63 V 0.313625 1.479583 64 V 0.326616 1.752354 65 V 0.370131 2.525593 66 V 0.432156 1.929566 67 V 0.473980 1.814291 68 V 0.477970 1.842649 69 V 0.491403 1.616026 70 V 0.508304 2.036349 71 V 0.523165 2.095556 72 V 0.546530 2.522556 73 V 0.547872 1.755727 74 V 0.548666 2.108132 75 V 0.568906 2.371560 76 V 0.579343 2.171883 77 V 0.607431 2.323811 78 V 0.613353 1.950964 79 V 0.618227 1.942484 80 V 0.636308 2.358938 81 V 0.663089 2.521658 82 V 0.678632 2.532018 83 V 0.712834 2.399483 84 V 0.722925 2.418522 85 V 0.740944 2.512572 86 V 0.751902 2.579590 87 V 0.775361 2.174653 88 V 0.795744 2.393634 89 V 0.798767 2.614800 90 V 0.810710 2.533002 91 V 0.828471 2.500804 92 V 0.842100 2.285843 93 V 0.854432 2.766066 94 V 0.864509 2.706380 95 V 0.880603 2.597050 96 V 0.884446 2.489185 97 V 0.885197 2.711069 98 V 0.887091 2.868284 99 V 0.898059 2.577242 100 V 0.913854 2.700571 101 V 0.937164 2.656117 102 V 0.940303 2.589414 103 V 0.951231 2.714860 104 V 1.007935 2.256288 105 V 1.014396 2.336379 106 V 1.022946 2.836179 107 V 1.027243 2.464844 108 V 1.092079 3.076150 109 V 1.099199 2.654380 110 V 1.114141 2.823468 111 V 1.149190 2.615966 112 V 1.151869 2.999838 113 V 1.189459 2.470838 114 V 1.204057 2.548185 115 V 1.251287 2.394799 116 V 1.264383 2.522627 117 V 1.367255 2.620161 118 V 1.370462 2.851690 119 V 1.398322 2.557515 120 V 1.427029 2.655152 121 V 1.432158 2.569738 122 V 1.438589 2.643850 123 V 1.475730 2.604522 124 V 1.492045 2.727364 125 V 1.526433 2.731813 126 V 1.585308 2.729136 127 V 1.639993 2.848138 128 V 1.661091 2.867842 129 V 1.720443 2.847268 130 V 1.723416 2.956516 131 V 1.758439 2.890013 132 V 1.770886 3.084055 133 V 1.794190 3.089673 134 V 1.859999 3.080320 135 V 1.877782 3.223031 136 V 1.885341 3.369074 137 V 1.908421 3.243962 138 V 1.935610 3.247703 139 V 1.958242 3.419402 140 V 1.976520 3.549614 141 V 1.978375 3.699057 142 V 1.981002 3.551987 143 V 2.000532 3.502380 144 V 2.019361 3.666524 145 V 2.041611 3.521274 146 V 2.088900 3.490903 147 V 2.120230 3.689765 148 V 2.140822 3.517947 149 V 2.160179 3.640524 150 V 2.230131 3.506010 151 V 2.254873 3.549660 152 V 2.262019 3.557626 153 V 2.279916 3.600181 154 V 2.291930 3.680413 155 V 2.309602 3.817282 156 V 2.318552 3.601925 157 V 2.371157 3.779128 158 V 2.401506 3.844964 159 V 2.434347 3.875043 160 V 2.448083 3.771374 161 V 2.451442 3.854212 162 V 2.484073 3.927498 163 V 2.522238 3.909227 164 V 2.545376 4.007345 165 V 2.598893 4.362531 166 V 2.627408 4.427880 167 V 2.645175 4.262189 168 V 2.675684 4.223220 169 V 2.692956 4.304449 170 V 2.694419 4.369068 171 V 2.736157 4.291618 172 V 2.765906 4.303007 173 V 2.803893 4.577668 174 V 2.866861 4.485884 175 V 2.879954 4.651919 176 V 2.944564 4.768120 177 V 3.105759 4.916567 178 V 3.131186 4.838698 179 V 4.006209 10.862414 180 V 4.105755 10.794553 181 V 4.127666 10.147715 182 V 4.252027 10.394615 183 V 4.268092 10.250264 184 V 4.362062 10.479326 185 V 4.370181 10.258821 186 V 4.448580 10.340599 187 V 4.489347 10.367748 188 V 4.649647 10.705353 189 V 4.874495 11.552514 Total kinetic energy from orbitals= 4.958567078521D+02 Exact polarizability: 121.186 0.000 96.577 6.402 0.000 86.091 Approx polarizability: 204.009 0.000 180.118 8.214 0.001 127.241 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 --- -528.8038 -6.5952 -0.0008 -0.0008 -0.0004 1.2079 Low frequencies --- 12.4979 98.5310 123.3498 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 22.5987181 5.1133750 9.0046553 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 -- -528.8037 98.5262 123.3463 Red. masses -- 6.9481 4.2689 2.4727 Frc consts -- 1.1447 0.0244 0.0222 IR Inten -- 0.4122 0.0098 10.1099 Atom AN X Y Z X Y Z X Y Z 1 6 0.33 0.08 -0.14 -0.19 -0.06 -0.01 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 0.02 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 -0.10 -0.07 -0.10 0.02 -0.06 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 -0.11 0.02 -0.10 0.07 -0.10 -0.02 -0.06 -0.01 0.02 14 1 -0.03 -0.01 0.14 0.09 -0.24 0.08 -0.04 0.01 0.08 15 6 -0.04 0.00 -0.01 0.00 0.18 0.00 -0.18 0.00 0.15 16 6 -0.28 -0.10 0.20 0.05 -0.06 0.06 0.00 0.00 -0.02 17 6 -0.28 0.10 0.20 -0.05 -0.06 -0.06 0.00 0.00 -0.02 18 1 -0.04 0.00 -0.01 0.00 0.18 0.00 -0.11 0.00 0.63 19 1 0.23 0.15 -0.19 0.07 -0.18 0.15 -0.04 0.00 -0.01 20 1 0.23 -0.15 -0.19 -0.07 -0.18 -0.15 -0.04 0.00 -0.01 21 1 -0.04 0.00 -0.01 0.00 0.30 0.00 -0.67 0.00 0.06 22 8 -0.03 -0.02 -0.03 -0.03 0.08 -0.15 0.09 -0.01 -0.13 23 8 -0.03 0.02 -0.03 0.03 0.08 0.15 0.09 0.01 -0.13 4 5 6 A A A Frequencies -- 135.1510 173.0399 200.0735 Red. masses -- 4.5157 4.0353 1.8496 Frc consts -- 0.0486 0.0712 0.0436 IR Inten -- 0.0262 0.4414 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 0.28 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 0.20 -0.04 0.23 0.30 -0.01 -0.02 -0.42 -0.21 -0.10 14 1 0.10 -0.05 -0.13 0.24 0.02 -0.23 -0.31 0.16 0.31 15 6 0.00 0.02 0.00 -0.19 0.00 0.16 0.00 0.00 0.00 16 6 -0.06 -0.07 0.09 0.02 0.00 -0.09 -0.01 -0.02 0.00 17 6 0.06 -0.07 -0.09 0.02 0.00 -0.09 0.01 -0.02 0.00 18 1 0.00 -0.06 0.00 -0.17 0.00 0.27 0.00 -0.05 0.00 19 1 0.09 -0.09 0.06 0.09 -0.01 -0.10 0.00 -0.03 0.01 20 1 -0.09 -0.09 -0.06 0.09 0.01 -0.10 0.00 -0.03 -0.01 21 1 0.00 0.21 0.00 -0.30 0.00 0.13 0.00 0.05 0.00 22 8 0.08 -0.02 -0.18 -0.12 0.00 0.09 0.04 -0.01 -0.05 23 8 -0.08 -0.02 0.18 -0.12 0.00 0.09 -0.04 -0.01 0.05 7 8 9 A A A Frequencies -- 244.2556 278.3721 369.6587 Red. masses -- 6.9573 4.5427 3.0234 Frc consts -- 0.2446 0.2074 0.2434 IR Inten -- 0.3912 0.2550 0.6313 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 0.03 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 0.00 0.07 -0.02 0.01 0.09 -0.32 0.00 -0.15 14 1 -0.05 0.10 0.06 -0.01 0.00 0.14 -0.19 -0.01 0.28 15 6 0.00 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 -0.01 16 6 0.12 -0.25 0.00 -0.05 0.01 -0.12 0.12 0.00 -0.16 17 6 -0.12 -0.25 0.00 -0.05 -0.01 -0.12 0.12 0.00 -0.16 18 1 0.00 0.35 0.00 -0.14 0.00 -0.13 -0.01 0.00 -0.07 19 1 0.22 -0.31 0.01 -0.08 -0.03 -0.07 0.18 -0.01 -0.17 20 1 -0.22 -0.31 -0.01 -0.08 0.03 -0.07 0.18 0.01 -0.17 21 1 0.00 -0.08 0.00 -0.04 0.00 -0.04 0.05 0.00 0.00 22 8 -0.31 -0.06 0.10 -0.17 0.01 0.01 -0.03 0.01 0.03 23 8 0.31 -0.06 -0.10 -0.17 -0.01 0.01 -0.03 -0.01 0.03 10 11 12 A A A Frequencies -- 507.8233 539.4737 592.9139 Red. masses -- 4.7173 4.0283 3.8952 Frc consts -- 0.7168 0.6907 0.8068 IR Inten -- 6.5672 0.8382 0.0385 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 -0.03 -0.01 2 1 -0.03 0.03 -0.06 -0.01 0.05 -0.10 0.05 -0.02 0.02 3 6 -0.14 0.04 0.20 0.21 0.14 0.00 0.04 -0.06 -0.16 4 1 -0.31 -0.03 0.37 0.45 0.05 -0.11 0.18 0.04 -0.33 5 6 0.14 0.04 -0.20 -0.21 0.14 0.00 -0.04 -0.06 0.16 6 1 0.31 -0.03 -0.37 -0.45 0.05 0.11 -0.18 0.04 0.33 7 6 -0.11 0.05 0.02 -0.02 0.03 -0.14 0.10 -0.03 0.01 8 1 0.03 0.03 0.06 0.01 0.05 0.10 -0.05 -0.02 -0.02 9 6 0.02 -0.11 0.05 0.03 -0.15 0.16 -0.01 0.06 -0.04 10 1 -0.10 -0.10 -0.06 0.09 -0.09 0.25 0.17 0.03 0.11 11 1 -0.02 -0.10 0.17 0.08 -0.09 0.12 0.05 0.08 -0.25 12 6 -0.02 -0.11 -0.05 -0.03 -0.15 -0.16 0.01 0.06 0.04 13 1 0.10 -0.10 0.06 -0.09 -0.09 -0.25 -0.17 0.03 -0.11 14 1 0.02 -0.10 -0.17 -0.08 -0.09 -0.12 -0.05 0.08 0.25 15 6 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 16 6 -0.20 0.00 0.17 0.00 0.00 0.03 -0.19 0.00 0.18 17 6 0.20 0.00 -0.17 0.00 0.00 -0.03 0.19 0.00 -0.18 18 1 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19 1 -0.13 0.03 0.12 -0.10 -0.05 0.11 -0.24 -0.04 0.23 20 1 0.13 0.03 -0.12 0.10 -0.05 -0.11 0.24 -0.04 -0.23 21 1 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 -0.01 0.00 22 8 -0.06 0.03 0.06 -0.01 -0.01 0.01 -0.05 0.03 0.06 23 8 0.06 0.03 -0.06 0.01 -0.01 -0.01 0.05 0.03 -0.06 13 14 15 A A A Frequencies -- 595.6406 707.3975 745.7504 Red. masses -- 5.4319 1.2350 5.6443 Frc consts -- 1.1354 0.3641 1.8495 IR Inten -- 0.8944 31.5990 1.8721 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 -0.03 -0.21 -0.08 0.31 0.03 -0.24 -0.27 -0.07 0.22 5 6 -0.14 -0.03 -0.17 -0.04 0.02 0.04 0.03 -0.01 -0.04 6 1 -0.03 0.21 -0.08 0.31 -0.03 -0.24 -0.27 0.07 0.22 7 6 -0.02 -0.31 0.02 0.01 -0.05 -0.01 0.01 -0.01 -0.01 8 1 -0.04 -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 0.14 -0.11 0.20 -0.01 0.01 -0.02 -0.05 0.04 -0.05 11 1 0.09 -0.04 -0.04 0.00 -0.02 -0.02 -0.03 -0.04 0.07 12 6 0.05 -0.05 0.20 0.00 0.00 -0.02 0.02 -0.01 0.00 13 1 0.14 0.11 0.20 -0.01 -0.01 -0.02 -0.05 -0.04 -0.05 14 1 0.09 0.04 -0.04 0.00 0.02 -0.02 -0.03 0.04 0.07 15 6 0.01 0.00 0.01 -0.02 0.00 -0.01 -0.13 0.00 -0.13 16 6 0.05 -0.02 -0.07 0.01 0.02 0.03 0.09 -0.02 0.09 17 6 0.05 0.02 -0.07 0.01 -0.02 0.03 0.09 0.02 0.09 18 1 0.01 0.00 0.01 -0.02 0.00 -0.01 -0.15 0.00 -0.10 19 1 0.20 0.00 -0.14 -0.26 -0.06 0.19 -0.14 0.22 -0.04 20 1 0.20 0.00 -0.14 -0.26 0.06 0.19 -0.14 -0.22 -0.04 21 1 0.02 0.00 0.01 -0.03 0.00 -0.02 -0.26 0.00 -0.18 22 8 0.01 0.00 0.01 -0.01 0.04 0.00 0.00 0.36 0.00 23 8 0.01 0.00 0.01 -0.01 -0.04 0.00 0.00 -0.36 0.00 16 17 18 A A A Frequencies -- 782.8989 811.9919 834.9235 Red. masses -- 1.2027 1.8122 1.4812 Frc consts -- 0.4343 0.7040 0.6084 IR Inten -- 8.7275 0.0034 19.2702 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 -0.17 -0.14 -0.04 0.18 5 6 -0.03 0.00 0.03 0.10 -0.04 -0.02 -0.06 0.01 0.00 6 1 0.22 -0.09 -0.21 -0.15 0.00 0.17 0.14 -0.04 -0.18 7 6 -0.02 0.05 0.00 0.02 0.06 -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 -0.10 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 -0.02 -0.15 11 1 0.07 0.09 -0.16 0.00 -0.04 -0.10 -0.03 -0.01 0.05 12 6 -0.03 0.03 0.02 0.03 -0.02 -0.03 -0.02 0.01 0.06 13 1 0.15 0.12 0.15 -0.06 -0.03 -0.11 0.07 -0.02 0.15 14 1 0.07 -0.09 -0.16 0.00 -0.04 0.10 0.03 -0.01 -0.05 15 6 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 -0.03 0.00 16 6 -0.01 -0.02 0.00 0.08 0.07 0.02 0.08 0.06 0.05 17 6 -0.01 0.02 0.00 -0.08 0.07 -0.02 -0.08 0.06 -0.05 18 1 0.00 0.00 0.01 0.00 0.03 0.00 0.00 -0.08 0.00 19 1 0.37 0.21 -0.32 -0.18 -0.05 0.21 -0.36 -0.21 0.42 20 1 0.37 -0.21 -0.32 0.18 -0.05 -0.21 0.36 -0.21 -0.42 21 1 -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.06 0.00 22 8 0.01 0.03 0.00 -0.04 -0.05 -0.03 0.00 -0.01 0.01 23 8 0.01 -0.03 0.00 0.04 -0.05 0.03 0.00 -0.01 -0.01 19 20 21 A A A Frequencies -- 840.1730 855.6472 875.8203 Red. masses -- 2.2465 1.4309 3.2614 Frc consts -- 0.9343 0.6172 1.4740 IR Inten -- 0.0201 0.2012 20.3568 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 -0.02 0.01 0.04 0.04 0.02 -0.03 4 1 0.03 -0.02 0.09 0.26 -0.01 -0.14 -0.13 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 -0.14 0.13 0.01 -0.10 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 0.05 0.06 -0.08 0.02 0.01 0.01 10 1 0.21 -0.15 0.06 -0.22 0.31 -0.21 0.00 0.03 0.00 11 1 0.08 0.41 -0.35 -0.13 -0.18 0.17 0.01 0.04 0.05 12 6 -0.11 -0.14 -0.10 0.05 -0.06 -0.08 -0.02 0.01 -0.01 13 1 0.21 0.15 0.06 -0.22 -0.31 -0.21 0.00 0.03 0.00 14 1 0.08 -0.41 -0.35 -0.13 0.18 0.17 -0.01 0.04 -0.05 15 6 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.12 0.00 16 6 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.17 0.08 17 6 0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.17 -0.08 18 1 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.16 0.00 19 1 -0.04 -0.04 0.03 0.18 0.12 -0.16 0.35 0.38 -0.20 20 1 -0.04 0.04 0.03 0.18 -0.12 -0.16 -0.35 0.38 0.20 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 22 8 0.00 0.01 0.00 0.00 0.00 0.00 -0.13 -0.11 -0.11 23 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.13 -0.11 0.11 22 23 24 A A A Frequencies -- 924.8017 948.6680 961.8716 Red. masses -- 2.2214 3.1667 1.2944 Frc consts -- 1.1194 1.6791 0.7056 IR Inten -- 0.6131 48.4335 1.5844 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.12 -0.09 0.00 -0.03 -0.02 -0.05 -0.01 0.06 2 1 0.05 -0.11 -0.25 0.06 -0.02 -0.08 0.50 0.07 -0.15 3 6 -0.04 0.04 -0.04 0.02 0.01 -0.04 0.03 -0.03 -0.04 4 1 -0.22 0.24 -0.07 -0.22 0.03 0.11 -0.24 -0.10 0.20 5 6 0.04 0.04 0.04 -0.02 0.01 0.04 0.03 0.03 -0.04 6 1 0.22 0.24 0.07 0.22 0.03 -0.11 -0.24 0.10 0.20 7 6 -0.02 -0.12 0.09 0.00 -0.03 0.02 -0.05 0.01 0.06 8 1 -0.05 -0.11 0.25 -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 -0.02 0.15 0.02 11 1 0.09 0.24 0.28 0.02 0.06 0.06 -0.03 -0.01 0.01 12 6 -0.05 0.04 -0.14 -0.01 0.01 -0.04 0.00 -0.04 -0.02 13 1 -0.05 0.20 -0.21 0.00 0.05 -0.05 -0.02 -0.15 0.02 14 1 -0.09 0.24 -0.28 -0.02 0.06 -0.06 -0.03 0.01 0.01 15 6 0.00 -0.06 0.00 0.00 0.32 0.00 -0.01 0.00 -0.01 16 6 0.03 0.00 0.01 -0.04 0.01 -0.03 0.00 0.03 0.03 17 6 -0.03 0.00 -0.01 0.04 0.01 0.03 0.00 -0.03 0.03 18 1 0.00 -0.12 0.00 0.00 0.47 0.00 0.00 0.00 0.00 19 1 -0.01 -0.10 0.11 -0.39 0.20 -0.06 0.12 0.20 -0.15 20 1 0.01 -0.10 -0.11 0.39 0.20 0.06 0.12 -0.20 -0.15 21 1 0.00 -0.05 0.00 0.00 0.19 0.00 -0.02 0.00 -0.01 22 8 0.01 0.04 0.01 0.03 -0.16 0.03 -0.01 -0.02 -0.01 23 8 -0.01 0.04 -0.01 -0.03 -0.16 -0.03 -0.01 0.02 -0.01 25 26 27 A A A Frequencies -- 962.4973 1007.0700 1012.0920 Red. masses -- 1.7862 5.4123 1.7600 Frc consts -- 0.9750 3.2341 1.0622 IR Inten -- 12.9606 19.6831 7.3880 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 -0.13 -0.11 -0.01 0.23 0.00 -0.02 -0.49 0.00 0.33 3 6 -0.03 0.04 0.12 0.00 -0.01 -0.03 -0.08 -0.06 -0.05 4 1 0.51 0.13 -0.33 -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 -0.51 0.13 0.33 -0.09 0.01 0.04 -0.15 0.02 0.27 7 6 -0.01 -0.10 0.02 -0.02 0.03 0.04 -0.05 0.09 0.04 8 1 0.13 -0.11 0.01 0.23 0.00 -0.02 0.49 0.00 -0.33 9 6 0.02 0.04 -0.06 0.01 0.02 -0.01 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 0.06 0.08 0.12 -0.04 -0.12 0.00 -0.01 -0.05 -0.06 14 1 0.02 0.06 -0.09 -0.02 0.04 0.00 -0.04 -0.01 -0.05 15 6 0.00 0.03 0.00 0.27 0.00 0.27 0.00 0.02 0.00 16 6 -0.01 0.01 0.01 -0.21 -0.06 -0.18 0.02 0.02 -0.01 17 6 0.01 0.01 -0.01 -0.21 0.06 -0.18 -0.02 0.02 0.01 18 1 0.00 0.06 0.00 0.27 0.00 0.26 0.00 0.02 0.00 19 1 -0.07 0.04 0.01 -0.15 -0.24 -0.08 -0.08 -0.01 0.05 20 1 0.07 0.04 -0.01 -0.15 0.24 -0.08 0.08 -0.01 -0.05 21 1 0.00 0.03 0.00 0.26 0.00 0.27 0.00 0.00 0.00 22 8 0.00 -0.02 0.00 0.05 0.16 0.02 0.01 -0.01 0.00 23 8 0.00 -0.02 0.00 0.05 -0.16 0.02 -0.01 -0.01 0.00 28 29 30 A A A Frequencies -- 1022.2333 1053.6314 1071.1397 Red. masses -- 2.7684 1.9942 2.0401 Frc consts -- 1.7044 1.3043 1.3791 IR Inten -- 5.1916 5.9462 96.9549 Atom AN X Y Z X Y Z X Y Z 1 6 0.05 -0.13 -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 0.17 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 0.03 -0.17 0.06 0.25 0.05 0.38 0.00 0.12 -0.05 14 1 0.05 -0.32 0.23 0.02 -0.13 -0.44 0.03 -0.10 0.06 15 6 -0.03 0.00 -0.03 0.00 -0.02 0.00 0.12 0.00 0.13 16 6 0.01 -0.02 0.00 -0.03 -0.01 -0.03 0.04 0.11 0.03 17 6 0.01 0.02 0.00 0.03 -0.01 0.03 0.04 -0.11 0.03 18 1 -0.03 0.00 -0.03 0.00 0.02 0.00 0.12 0.00 0.11 19 1 -0.01 -0.13 0.09 -0.06 0.00 -0.03 -0.29 0.50 -0.16 20 1 -0.01 0.13 0.09 0.06 0.00 0.03 -0.29 -0.50 -0.16 21 1 -0.01 0.00 -0.02 0.00 0.05 0.00 0.09 0.00 0.11 22 8 0.01 0.00 0.01 -0.02 0.01 -0.01 -0.08 0.00 -0.06 23 8 0.01 0.00 0.01 0.02 0.01 0.01 -0.08 0.00 -0.06 31 32 33 A A A Frequencies -- 1095.2982 1111.4508 1158.1909 Red. masses -- 3.1548 1.7231 1.4831 Frc consts -- 2.2299 1.2541 1.1721 IR Inten -- 0.6391 0.6254 6.9877 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.01 0.02 -0.04 0.00 -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 0.01 -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 0.05 0.01 0.08 0.03 -0.24 0.11 0.01 -0.03 0.02 14 1 0.01 -0.05 -0.09 0.01 -0.16 0.12 -0.01 0.03 -0.02 15 6 0.00 0.12 0.00 0.01 0.00 0.01 -0.12 0.00 0.14 16 6 0.13 0.00 0.21 0.01 0.01 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 0.00 -0.16 0.00 0.01 0.00 0.01 -0.27 0.00 -0.65 19 1 0.58 0.12 -0.04 -0.03 0.03 0.00 0.02 -0.01 0.01 20 1 -0.58 0.12 0.04 -0.03 -0.03 0.00 0.02 0.01 0.01 21 1 0.00 -0.19 0.00 0.01 0.00 0.01 0.61 0.00 0.29 22 8 0.10 -0.04 0.10 -0.01 0.00 0.00 0.02 0.01 -0.05 23 8 -0.10 -0.04 -0.10 -0.01 0.00 0.00 0.02 -0.01 -0.05 34 35 36 A A A Frequencies -- 1184.5427 1184.7882 1206.1893 Red. masses -- 1.1410 1.1724 1.8401 Frc consts -- 0.9432 0.9696 1.5773 IR Inten -- 47.0468 0.0017 208.1848 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.00 -0.01 0.04 -0.04 0.05 0.01 -0.01 0.00 2 1 -0.18 0.02 -0.37 0.29 -0.05 0.46 -0.10 0.00 -0.18 3 6 0.01 -0.02 0.01 -0.02 0.03 -0.02 0.00 -0.01 0.00 4 1 0.17 -0.38 0.15 -0.16 0.36 -0.15 0.10 -0.23 0.09 5 6 0.01 0.02 0.01 0.02 0.03 0.02 0.00 0.01 0.00 6 1 0.17 0.38 0.15 0.16 0.36 0.15 0.10 0.23 0.09 7 6 -0.02 0.00 -0.01 -0.04 -0.04 -0.05 0.01 0.01 0.00 8 1 -0.18 -0.02 -0.37 -0.29 -0.05 -0.46 -0.10 0.00 -0.18 9 6 0.01 0.02 0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.01 10 1 -0.02 -0.03 -0.05 -0.01 -0.10 -0.05 0.07 0.27 0.20 11 1 0.06 0.28 0.19 -0.01 -0.06 -0.04 -0.02 -0.01 -0.02 12 6 0.01 -0.02 0.00 0.01 -0.01 0.01 -0.02 0.00 -0.01 13 1 -0.02 0.03 -0.05 0.01 -0.10 0.05 0.07 -0.27 0.20 14 1 0.06 -0.28 0.19 0.01 -0.06 0.04 -0.02 0.01 -0.02 15 6 -0.04 0.00 -0.01 0.00 0.00 0.00 0.09 0.00 0.06 16 6 -0.03 0.01 -0.01 0.00 0.00 0.00 0.06 -0.05 0.05 17 6 -0.03 -0.01 -0.01 0.00 0.00 0.00 0.06 0.05 0.05 18 1 -0.04 0.00 -0.06 0.00 0.02 0.00 0.09 0.00 0.09 19 1 0.00 0.03 -0.05 0.00 0.00 0.01 0.31 -0.31 0.18 20 1 0.00 -0.03 -0.05 0.00 0.00 -0.01 0.31 0.31 0.18 21 1 0.05 0.00 0.01 0.00 -0.02 0.00 -0.03 0.00 0.03 22 8 0.03 0.00 0.02 0.00 0.00 0.00 -0.10 0.02 -0.08 23 8 0.03 0.00 0.02 0.00 0.00 0.00 -0.10 -0.02 -0.08 37 38 39 A A A Frequencies -- 1208.1310 1236.3023 1298.8928 Red. masses -- 1.0528 1.1805 1.0918 Frc consts -- 0.9054 1.0631 1.0852 IR Inten -- 0.0166 22.2904 3.1959 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 0.10 -0.41 0.33 -0.04 0.51 -0.21 14 1 0.00 -0.01 0.00 -0.06 0.22 -0.21 0.07 -0.40 0.14 15 6 0.00 -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 0.00 16 6 0.00 0.00 0.01 -0.01 0.01 -0.03 -0.01 0.01 -0.01 17 6 0.00 0.00 -0.01 -0.01 -0.01 -0.03 0.01 0.01 0.01 18 1 0.00 0.71 0.00 -0.02 0.00 -0.02 0.00 0.00 0.00 19 1 0.02 -0.03 0.02 -0.21 0.15 -0.07 0.03 -0.05 0.02 20 1 -0.02 -0.03 -0.02 -0.21 -0.15 -0.07 -0.03 -0.05 -0.02 21 1 0.00 -0.70 0.00 -0.02 0.00 -0.02 0.00 0.03 0.00 22 8 0.02 0.01 -0.02 0.03 -0.01 0.03 0.00 0.00 0.00 23 8 -0.02 0.01 0.02 0.03 0.01 0.03 0.00 0.00 0.00 40 41 42 A A A Frequencies -- 1307.2815 1318.7110 1371.3536 Red. masses -- 1.2656 1.9468 1.3133 Frc consts -- 1.2743 1.9947 1.4551 IR Inten -- 0.0002 6.0253 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 -0.17 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 0.05 -0.03 -0.07 0.23 -0.17 -0.08 0.24 -0.18 14 1 0.01 -0.04 0.01 -0.09 0.42 -0.34 -0.06 0.36 -0.27 15 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.06 -0.06 0.05 -0.02 0.03 0.01 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 0.00 -0.25 0.00 -0.01 0.00 -0.03 0.00 0.03 0.00 19 1 -0.38 0.46 -0.23 0.16 -0.08 0.04 0.00 0.00 0.00 20 1 0.38 0.46 0.23 0.16 0.08 0.04 0.00 0.00 0.00 21 1 0.00 -0.28 0.00 -0.01 0.00 0.00 0.00 0.02 0.00 22 8 -0.01 0.03 -0.03 0.00 0.01 0.00 0.00 0.00 0.00 23 8 0.01 0.03 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 43 44 45 A A A Frequencies -- 1403.4396 1453.8209 1464.5445 Red. masses -- 1.5891 2.5664 1.3329 Frc consts -- 1.8442 3.1959 1.6844 IR Inten -- 2.7743 81.0568 4.2214 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 0.03 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 0.00 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 0.07 -0.16 0.11 0.02 -0.24 0.17 -0.02 -0.02 -0.01 14 1 0.01 -0.24 0.16 0.07 -0.20 0.11 0.02 -0.05 0.00 15 6 0.00 0.01 0.00 -0.02 0.00 -0.02 0.00 -0.12 0.00 16 6 0.00 0.00 0.00 -0.07 0.21 -0.01 0.04 -0.03 0.03 17 6 0.00 0.00 0.00 -0.07 -0.21 -0.01 -0.04 -0.03 -0.03 18 1 0.00 -0.04 0.00 -0.02 0.00 0.01 0.00 0.64 0.00 19 1 -0.01 0.00 0.01 0.39 -0.15 0.17 -0.10 0.14 -0.05 20 1 0.01 0.00 -0.01 0.39 0.15 0.17 0.10 0.14 0.05 21 1 0.00 -0.04 0.00 0.02 0.00 -0.01 0.00 0.70 0.00 22 8 0.00 0.00 0.00 0.02 0.03 0.00 0.04 0.02 0.03 23 8 0.00 0.00 0.00 0.02 -0.03 0.00 -0.04 0.02 -0.03 46 47 48 A A A Frequencies -- 1482.8119 1521.1435 1540.2786 Red. masses -- 1.9114 1.1015 1.2955 Frc consts -- 2.4761 1.5017 1.8109 IR Inten -- 17.0211 1.3329 6.2093 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 0.02 -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 0.06 -0.05 0.10 -0.36 -0.25 -0.21 0.35 0.26 0.18 14 1 0.01 -0.09 0.17 0.23 -0.26 -0.37 -0.23 0.26 0.34 15 6 0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 16 6 0.01 -0.07 0.00 0.00 0.00 0.00 -0.01 0.06 -0.01 17 6 0.01 0.07 0.00 0.00 0.00 0.00 -0.01 -0.06 -0.01 18 1 0.00 0.00 -0.01 0.00 -0.03 0.00 -0.01 0.00 -0.08 19 1 -0.11 0.04 -0.06 0.01 -0.01 0.00 0.06 -0.03 0.05 20 1 -0.11 -0.04 -0.06 -0.01 -0.01 0.00 0.06 0.03 0.05 21 1 -0.01 0.00 0.00 0.00 -0.02 0.00 -0.09 0.00 -0.02 22 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 23 8 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 49 50 51 A A A Frequencies -- 1559.5858 1583.0416 1601.7205 Red. masses -- 2.9913 1.0960 3.6476 Frc consts -- 4.2868 1.6183 5.5136 IR Inten -- 8.0766 7.1232 1.9657 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 0.14 -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 0.16 0.12 0.16 6 1 0.15 0.21 0.10 0.00 0.00 0.00 -0.09 -0.45 -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 0.08 -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 -0.28 -0.08 -0.22 0.04 0.03 0.03 0.11 0.06 0.09 14 1 0.14 -0.07 -0.37 -0.03 0.04 0.03 -0.04 0.01 0.23 15 6 -0.01 0.00 -0.01 -0.06 0.00 -0.06 0.00 0.00 0.00 16 6 0.00 0.13 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 17 6 0.00 -0.13 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 18 1 0.00 0.00 0.04 0.09 0.00 0.68 0.00 0.00 0.00 19 1 0.09 -0.06 0.14 0.00 0.00 0.01 -0.02 0.00 0.01 20 1 0.09 0.06 0.14 0.00 0.00 0.01 0.02 0.00 -0.01 21 1 0.03 0.00 0.00 0.70 0.00 0.12 0.00 0.00 0.00 22 8 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 23 8 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 52 53 54 A A A Frequencies -- 3017.4119 3020.9176 3036.3346 Red. masses -- 1.0737 1.0553 1.0695 Frc consts -- 5.7595 5.6744 5.8095 IR Inten -- 20.5766 106.6009 72.4725 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 -0.01 0.45 0.21 -0.45 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 0.46 -0.22 -0.47 0.02 -0.01 -0.01 0.45 -0.21 -0.45 14 1 -0.12 -0.04 -0.02 -0.04 -0.01 -0.01 -0.19 -0.07 -0.04 15 6 0.00 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 0.00 16 6 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 0.52 0.00 -0.11 -0.01 0.00 0.00 19 1 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 20 1 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 21 1 0.00 0.00 0.00 -0.19 0.00 0.82 0.01 0.00 -0.05 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 56 57 A A A Frequencies -- 3061.2406 3069.1074 3087.3756 Red. masses -- 1.1153 1.0900 1.0936 Frc consts -- 6.1577 6.0495 6.1418 IR Inten -- 86.5492 7.6592 35.9153 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 0.07 0.04 -0.08 0.12 0.07 -0.14 11 1 0.06 -0.02 0.02 0.62 -0.25 0.18 0.60 -0.24 0.18 12 6 0.00 0.00 0.00 0.06 0.02 0.01 -0.06 -0.02 0.00 13 1 0.00 0.00 0.00 -0.07 0.04 0.08 0.12 -0.07 -0.14 14 1 0.06 0.02 0.02 -0.62 -0.25 -0.18 0.60 0.24 0.18 15 6 -0.08 0.00 0.06 0.00 0.00 0.00 0.01 0.00 -0.01 16 6 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 0.84 0.00 -0.15 0.00 0.00 0.00 -0.05 0.00 0.01 19 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.09 0.00 -0.50 0.00 0.00 0.00 -0.02 0.00 0.09 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 59 60 A A A Frequencies -- 3153.4880 3159.2504 3171.8827 Red. masses -- 1.0839 1.0873 1.0922 Frc consts -- 6.3508 6.3937 6.4743 IR Inten -- 4.9162 5.7987 49.5617 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 0.04 -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 -0.21 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 0.49 -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 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 14 1 0.02 0.01 0.01 -0.03 -0.01 -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 6 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 8 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 -- 3185.8057 3290.9154 3307.6539 Red. masses -- 1.0972 1.0899 1.1012 Frc consts -- 6.5611 6.9545 7.0986 IR Inten -- 30.7672 0.0857 1.5876 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 0.02 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 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 14 1 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.00 0.00 0.00 -0.02 -0.04 -0.05 -0.02 -0.04 -0.05 17 6 0.00 0.00 0.00 0.02 -0.04 0.05 -0.02 0.04 -0.05 18 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 19 1 0.00 0.00 0.00 0.18 0.43 0.53 0.18 0.43 0.53 20 1 0.00 0.00 0.00 -0.18 0.43 -0.53 0.18 -0.43 0.53 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 22 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ------------------- - 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 6 and mass 12.00000 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 1 and mass 1.00783 Atom 20 has atomic number 1 and mass 1.00783 Atom 21 has atomic number 1 and mass 1.00783 Atom 22 has atomic number 8 and mass 15.99491 Atom 23 has atomic number 8 and mass 15.99491 Molecular mass: 152.08373 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 944.871221782.046921902.36778 X 0.99987 0.00000 0.01599 Y 0.00000 1.00000 -0.00002 Z -0.01599 0.00002 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): 1.91004 1.01273 0.94868 1 imaginary frequencies ignored. Zero-point vibrational energy 509189.2 (Joules/Mol) 121.69914 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 141.76 177.47 194.45 248.97 287.86 (Kelvin) 351.43 400.51 531.86 730.64 776.18 853.07 856.99 1017.79 1072.97 1126.42 1168.27 1201.27 1208.82 1231.08 1260.11 1330.58 1364.92 1383.92 1384.82 1448.95 1456.17 1470.76 1515.94 1541.13 1575.89 1599.13 1666.38 1704.29 1704.64 1735.44 1738.23 1778.76 1868.81 1880.88 1897.33 1973.07 2019.23 2091.72 2107.15 2133.43 2188.58 2216.11 2243.89 2277.64 2304.52 4341.38 4346.42 4368.60 4404.44 4415.76 4442.04 4537.16 4545.45 4563.63 4583.66 4734.89 4758.97 Zero-point correction= 0.193940 (Hartree/Particle) Thermal correction to Energy= 0.203260 Thermal correction to Enthalpy= 0.204204 Thermal correction to Gibbs Free Energy= 0.159505 Sum of electronic and zero-point Energies= -500.294729 Sum of electronic and thermal Energies= -500.285409 Sum of electronic and thermal Enthalpies= -500.284465 Sum of electronic and thermal Free Energies= -500.329164 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 127.548 36.599 94.077 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 23.559 Vibration 1 0.604 1.950 3.483 Vibration 2 0.610 1.930 3.047 Vibration 3 0.613 1.918 2.871 Vibration 4 0.627 1.876 2.402 Vibration 5 0.638 1.840 2.132 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 0.429346D-73 -73.367193 -168.934204 Total V=0 0.689903D+16 15.838788 36.470158 Vib (Bot) 0.909052D-87 -87.041411 -200.420256 Vib (Bot) 1 0.208357D+01 0.318807 0.734081 Vib (Bot) 2 0.165548D+01 0.218923 0.504089 Vib (Bot) 3 0.150644D+01 0.177953 0.409751 Vib (Bot) 4 0.116346D+01 0.065750 0.151396 Vib (Bot) 5 0.996582D+00 -0.001487 -0.003423 Vib (Bot) 6 0.801201D+00 -0.096259 -0.221644 Vib (Bot) 7 0.691257D+00 -0.160361 -0.369244 Vib (Bot) 8 0.492621D+00 -0.307487 -0.708016 Vib (Bot) 9 0.321388D+00 -0.492970 -1.135105 Vib (Bot) 10 0.293830D+00 -0.531903 -1.224752 Vib (Bot) 11 0.253674D+00 -0.595724 -1.371705 Vib (Bot) 12 0.251811D+00 -0.598925 -1.379076 Vib (V=0) 0.146073D+03 2.164569 4.984105 Vib (V=0) 1 0.264272D+01 0.422051 0.971809 Vib (V=0) 2 0.222934D+01 0.348176 0.801704 Vib (V=0) 3 0.208725D+01 0.319575 0.735848 Vib (V=0) 4 0.176635D+01 0.247076 0.568913 Vib (V=0) 5 0.161498D+01 0.208167 0.479322 Vib (V=0) 6 0.144442D+01 0.159692 0.367705 Vib (V=0) 7 0.135313D+01 0.131340 0.302423 Vib (V=0) 8 0.120191D+01 0.079871 0.183910 Vib (V=0) 9 0.109438D+01 0.039169 0.090190 Vib (V=0) 10 0.107995D+01 0.033402 0.076910 Vib (V=0) 11 0.106067D+01 0.025580 0.058901 Vib (V=0) 12 0.105983D+01 0.025236 0.058108 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.737190D+08 7.867579 18.115771 Rotational 0.640678D+06 5.806640 13.370282 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000000007 0.000000003 0.000000152 2 1 -0.000000026 0.000000010 0.000000157 3 6 -0.000000125 0.000000000 0.000000329 4 1 -0.000000272 0.000000005 0.000000420 5 6 -0.000000192 -0.000000044 0.000000294 6 1 -0.000000273 0.000000009 0.000000413 7 6 0.000000038 0.000000009 0.000000160 8 1 -0.000000020 0.000000026 0.000000152 9 6 0.000000191 -0.000000035 0.000000107 10 1 0.000000346 -0.000000001 0.000000227 11 1 0.000000285 -0.000000025 -0.000000051 12 6 0.000000188 0.000000006 0.000000148 13 1 0.000000343 0.000000014 0.000000227 14 1 0.000000294 0.000000041 -0.000000055 15 6 0.000000090 -0.000000036 -0.000000458 16 6 -0.000000135 -0.000000003 -0.000000157 17 6 -0.000000183 -0.000000057 -0.000000168 18 1 0.000000007 0.000000005 -0.000000614 19 1 -0.000000317 0.000000020 -0.000000089 20 1 -0.000000321 0.000000006 -0.000000115 21 1 0.000000227 0.000000009 -0.000000417 22 8 -0.000000048 0.000000009 -0.000000317 23 8 -0.000000105 0.000000030 -0.000000344 ------------------------------------------------------------------- Cartesian Forces: Max 0.000000614 RMS 0.000000203 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000000051 RMS 0.000000010 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 --- -0.03189 0.00087 0.00111 0.00176 0.00430 Eigenvalues --- 0.00508 0.01274 0.01368 0.01441 0.01594 Eigenvalues --- 0.01688 0.01857 0.02067 0.02137 0.02234 Eigenvalues --- 0.02574 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04650 0.04939 Eigenvalues --- 0.05186 0.05246 0.05743 0.05913 0.06425 Eigenvalues --- 0.06812 0.07163 0.08898 0.09283 0.11253 Eigenvalues --- 0.11861 0.12445 0.12617 0.15481 0.16306 Eigenvalues --- 0.18369 0.18745 0.23372 0.24269 0.26917 Eigenvalues --- 0.27588 0.29672 0.30155 0.30785 0.32287 Eigenvalues --- 0.32447 0.32888 0.34622 0.35303 0.35333 Eigenvalues --- 0.35475 0.35566 0.36576 0.38194 0.38371 Eigenvalues --- 0.41332 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R11 R4 D89 D91 D98 1 -0.56538 -0.56538 0.16959 -0.16959 0.14496 D95 D87 D85 R23 D30 1 -0.14496 0.11839 -0.11839 0.11436 -0.11054 Angle between quadratic step and forces= 80.73 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00000050 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R2 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R3 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R4 4.37590 0.00000 0.00000 0.00000 0.00000 4.37590 R5 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R6 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R7 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R8 2.62029 0.00000 0.00000 0.00000 0.00000 2.62029 R9 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R10 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R11 4.37589 0.00000 0.00000 0.00000 0.00000 4.37590 R12 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R13 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R14 2.94454 0.00000 0.00000 0.00000 0.00000 2.94454 R15 4.44116 0.00000 0.00000 0.00000 0.00000 4.44116 R16 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R17 2.07028 0.00000 0.00000 0.00000 0.00000 2.07029 R18 4.44116 0.00000 0.00000 0.00001 0.00001 4.44116 R19 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 R20 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R21 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R22 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R23 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R24 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R25 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 R26 2.03574 0.00000 0.00000 0.00000 0.00000 2.03574 R27 2.63220 0.00000 0.00000 0.00000 0.00000 2.63220 A1 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A2 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A3 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A4 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A5 1.72734 0.00000 0.00000 0.00000 0.00000 1.72734 A6 1.63578 0.00000 0.00000 0.00000 0.00000 1.63578 A7 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A8 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A9 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A10 2.09053 0.00000 0.00000 0.00000 0.00000 2.09053 A11 2.06741 0.00000 0.00000 0.00000 0.00000 2.06741 A12 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A13 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A14 2.09878 0.00000 0.00000 0.00000 0.00000 2.09878 A15 1.72734 0.00000 0.00000 0.00000 0.00000 1.72734 A16 2.01644 0.00000 0.00000 0.00000 0.00000 2.01644 A17 1.73924 0.00000 0.00000 0.00000 0.00000 1.73924 A18 1.63578 0.00000 0.00000 0.00000 0.00000 1.63578 A19 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A20 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A21 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A22 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A23 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A24 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A25 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A26 1.96752 0.00000 0.00000 0.00000 0.00000 1.96752 A27 1.87947 0.00000 0.00000 0.00000 0.00000 1.87947 A28 1.91100 0.00000 0.00000 0.00000 0.00000 1.91100 A29 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A30 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A31 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A32 2.15568 0.00000 0.00000 0.00000 0.00000 2.15568 A33 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A34 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A35 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A36 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A37 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A38 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A39 1.86429 0.00000 0.00000 0.00000 0.00000 1.86429 A40 1.54414 0.00000 0.00000 0.00000 0.00000 1.54414 A41 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A42 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A43 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A44 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A45 1.86429 0.00000 0.00000 0.00000 0.00000 1.86429 A46 1.54414 0.00000 0.00000 0.00000 0.00000 1.54414 A47 1.86557 0.00000 0.00000 0.00000 0.00000 1.86557 A48 2.21853 0.00000 0.00000 0.00000 0.00000 2.21853 A49 1.90228 0.00000 0.00000 0.00000 0.00000 1.90228 A50 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A51 1.05553 0.00000 0.00000 0.00000 0.00000 1.05553 A52 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A53 1.82398 0.00000 0.00000 0.00000 0.00000 1.82398 A54 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 A55 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 D1 -0.09754 0.00000 0.00000 0.00000 0.00000 -0.09754 D2 -2.99630 0.00000 0.00000 0.00000 0.00000 -2.99630 D3 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D4 0.60093 0.00000 0.00000 0.00000 0.00000 0.60093 D5 1.75993 0.00000 0.00000 0.00000 0.00000 1.75993 D6 -1.13883 0.00000 0.00000 0.00000 0.00000 -1.13883 D7 -1.16600 0.00000 0.00000 0.00000 0.00000 -1.16600 D8 0.83118 0.00000 0.00000 0.00000 0.00000 0.83118 D9 3.01200 0.00000 0.00000 0.00000 0.00000 3.01200 D10 1.53598 0.00000 0.00000 0.00000 0.00000 1.53597 D11 -2.75003 0.00000 0.00000 0.00000 0.00000 -2.75003 D12 -0.56921 0.00000 0.00000 0.00000 0.00000 -0.56921 D13 -2.95582 0.00000 0.00000 0.00000 0.00000 -2.95582 D14 -0.95864 0.00000 0.00000 0.00000 0.00000 -0.95864 D15 1.22219 0.00000 0.00000 0.00000 0.00000 1.22219 D16 3.11376 0.00000 0.00000 0.00000 0.00000 3.11376 D17 0.87103 0.00000 0.00000 0.00000 0.00000 0.87103 D18 -1.13514 0.00000 0.00000 0.00000 0.00000 -1.13514 D19 0.98652 0.00000 0.00000 0.00000 0.00000 0.98652 D20 -1.25622 0.00000 0.00000 0.00000 0.00000 -1.25621 D21 3.02080 0.00000 0.00000 0.00000 0.00000 3.02080 D22 -1.13274 0.00000 0.00000 0.00000 0.00000 -1.13274 D23 2.90771 0.00000 0.00000 0.00000 0.00000 2.90771 D24 0.90154 0.00000 0.00000 0.00000 0.00000 0.90154 D25 2.90002 0.00000 0.00000 0.00000 0.00000 2.90002 D26 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D27 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D28 -2.90002 0.00000 0.00000 0.00000 0.00000 -2.90002 D29 2.99630 0.00000 0.00000 0.00000 0.00000 2.99630 D30 -0.60093 0.00000 0.00000 0.00000 0.00000 -0.60093 D31 1.13883 0.00000 0.00000 0.00000 0.00000 1.13883 D32 0.09754 0.00000 0.00000 0.00000 0.00000 0.09754 D33 2.78350 0.00000 0.00000 0.00000 0.00000 2.78350 D34 -1.75993 0.00000 0.00000 0.00000 0.00000 -1.75993 D35 0.56921 0.00000 0.00000 0.00000 0.00000 0.56921 D36 -1.53597 0.00000 0.00000 0.00000 0.00000 -1.53597 D37 2.75004 0.00000 0.00000 0.00000 0.00000 2.75004 D38 -3.01200 0.00000 0.00000 0.00000 0.00000 -3.01200 D39 1.16600 0.00000 0.00000 0.00000 0.00000 1.16600 D40 -0.83118 0.00000 0.00000 0.00000 0.00000 -0.83118 D41 -1.22219 0.00000 0.00000 0.00000 0.00000 -1.22219 D42 2.95582 0.00000 0.00000 0.00000 0.00000 2.95582 D43 0.95864 0.00000 0.00000 0.00000 0.00000 0.95864 D44 -0.98652 0.00000 0.00000 0.00000 0.00000 -0.98652 D45 1.25621 0.00000 0.00000 0.00000 0.00000 1.25621 D46 -3.02080 0.00000 0.00000 0.00000 0.00000 -3.02080 D47 -3.11376 0.00000 0.00000 0.00000 0.00000 -3.11376 D48 -0.87103 0.00000 0.00000 0.00000 0.00000 -0.87103 D49 1.13514 0.00000 0.00000 0.00000 0.00000 1.13514 D50 1.13274 0.00000 0.00000 0.00000 0.00000 1.13274 D51 -2.90771 0.00000 0.00000 0.00000 0.00000 -2.90771 D52 -0.90154 0.00000 0.00000 0.00000 0.00000 -0.90154 D53 1.77124 0.00000 0.00000 0.00000 0.00000 1.77124 D54 -2.49223 0.00000 0.00000 0.00000 0.00000 -2.49223 D55 -0.42031 0.00000 0.00000 0.00000 0.00000 -0.42032 D56 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D57 2.08918 0.00000 0.00000 0.00000 0.00000 2.08918 D58 -2.15999 0.00000 0.00000 0.00000 0.00000 -2.15999 D59 -2.08918 0.00000 0.00000 0.00000 0.00000 -2.08918 D60 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D61 2.03401 0.00000 0.00000 0.00000 0.00000 2.03401 D62 2.15999 0.00000 0.00000 0.00000 0.00000 2.15999 D63 -2.03401 0.00000 0.00000 0.00000 0.00000 -2.03401 D64 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D65 0.45443 0.00000 0.00000 0.00000 0.00000 0.45443 D66 -1.26777 0.00000 0.00000 0.00000 0.00000 -1.26777 D67 -1.77124 0.00000 0.00000 0.00000 0.00000 -1.77124 D68 0.42032 0.00000 0.00000 0.00000 0.00000 0.42032 D69 2.49223 0.00000 0.00000 0.00000 0.00000 2.49223 D70 -0.45443 0.00000 0.00000 0.00000 0.00000 -0.45443 D71 1.26777 0.00000 0.00000 0.00000 0.00000 1.26777 D72 -2.59452 0.00000 0.00000 0.00000 0.00000 -2.59452 D73 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D74 1.57646 0.00000 0.00000 0.00000 0.00000 1.57646 D75 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D76 -0.48232 0.00000 0.00000 0.00000 0.00000 -0.48232 D77 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D78 2.24092 0.00000 0.00000 0.00000 0.00000 2.24091 D79 -1.92720 0.00000 0.00000 0.00000 0.00000 -1.92720 D80 0.15839 0.00000 0.00000 0.00000 0.00000 0.15839 D81 -2.24092 0.00000 0.00000 0.00000 0.00000 -2.24091 D82 1.92720 0.00000 0.00000 0.00000 0.00000 1.92720 D83 -0.15839 0.00000 0.00000 0.00000 0.00000 -0.15839 D84 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D85 -1.76578 0.00000 0.00000 0.00000 0.00000 -1.76578 D86 2.00976 0.00000 0.00000 0.00000 0.00000 2.00976 D87 1.76578 0.00000 0.00000 0.00000 0.00000 1.76578 D88 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D89 -2.50765 0.00000 0.00000 0.00000 0.00000 -2.50765 D90 -2.00976 0.00000 0.00000 0.00000 0.00000 -2.00976 D91 2.50764 0.00000 0.00000 0.00000 0.00000 2.50764 D92 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 D93 -1.91001 0.00000 0.00000 0.00000 0.00000 -1.91001 D94 0.09893 0.00000 0.00000 0.00000 0.00000 0.09892 D95 2.69580 0.00000 0.00000 0.00000 0.00000 2.69580 D96 1.91001 0.00000 0.00000 0.00000 0.00000 1.91001 D97 -0.09893 0.00000 0.00000 0.00000 0.00000 -0.09892 D98 -2.69580 0.00000 0.00000 0.00000 0.00000 -2.69580 Item Value Threshold Converged? Maximum Force 0.000000 0.000450 YES RMS Force 0.000000 0.000300 YES Maximum Displacement 0.000004 0.001800 YES RMS Displacement 0.000000 0.001200 YES Predicted change in Energy=-9.238051D-14 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) 1.3866 -DE/DX = 0.0 ! ! R3 R(1,9) 1.5151 -DE/DX = 0.0 ! ! R4 R(1,16) 2.3156 -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) 1.3866 -DE/DX = 0.0 ! ! R9 R(7,8) 1.0891 -DE/DX = 0.0 ! ! R10 R(7,12) 1.5151 -DE/DX = 0.0 ! ! R11 R(7,17) 2.3156 -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(11,21) 2.3502 -DE/DX = 0.0 ! ! R16 R(12,13) 1.0989 -DE/DX = 0.0 ! ! R17 R(12,14) 1.0955 -DE/DX = 0.0 ! ! R18 R(14,21) 2.3502 -DE/DX = 0.0 ! ! R19 R(15,18) 1.098 -DE/DX = 0.0 ! ! R20 R(15,21) 1.0987 -DE/DX = 0.0 ! ! R21 R(15,22) 1.4244 -DE/DX = 0.0 ! ! R22 R(15,23) 1.4244 -DE/DX = 0.0 ! ! R23 R(16,17) 1.3892 -DE/DX = 0.0 ! ! R24 R(16,19) 1.0773 -DE/DX = 0.0 ! ! R25 R(16,23) 1.3929 -DE/DX = 0.0 ! ! R26 R(17,20) 1.0773 -DE/DX = 0.0 ! ! R27 R(17,22) 1.3929 -DE/DX = 0.0 ! ! A1 A(2,1,3) 119.2218 -DE/DX = 0.0 ! ! A2 A(2,1,9) 115.5335 -DE/DX = 0.0 ! ! A3 A(2,1,16) 99.651 -DE/DX = 0.0 ! ! A4 A(3,1,9) 120.251 -DE/DX = 0.0 ! ! A5 A(3,1,16) 98.9691 -DE/DX = 0.0 ! ! A6 A(9,1,16) 93.7235 -DE/DX = 0.0 ! ! A7 A(1,3,4) 120.2857 -DE/DX = 0.0 ! ! A8 A(1,3,5) 118.4539 -DE/DX = 0.0 ! ! A9 A(4,3,5) 119.7788 -DE/DX = 0.0 ! ! A10 A(3,5,6) 119.7788 -DE/DX = 0.0 ! ! A11 A(3,5,7) 118.4539 -DE/DX = 0.0 ! ! A12 A(6,5,7) 120.2857 -DE/DX = 0.0 ! ! A13 A(5,7,8) 119.2218 -DE/DX = 0.0 ! ! A14 A(5,7,12) 120.251 -DE/DX = 0.0 ! ! A15 A(5,7,17) 98.9691 -DE/DX = 0.0 ! ! A16 A(8,7,12) 115.5335 -DE/DX = 0.0 ! ! A17 A(8,7,17) 99.651 -DE/DX = 0.0 ! ! A18 A(12,7,17) 93.7235 -DE/DX = 0.0 ! ! A19 A(1,9,10) 107.6855 -DE/DX = 0.0 ! ! A20 A(1,9,11) 109.492 -DE/DX = 0.0 ! ! A21 A(1,9,12) 112.7304 -DE/DX = 0.0 ! ! A22 A(10,9,11) 105.6691 -DE/DX = 0.0 ! ! A23 A(10,9,12) 109.2791 -DE/DX = 0.0 ! ! A24 A(11,9,12) 111.6653 -DE/DX = 0.0 ! ! A25 A(9,11,21) 123.5113 -DE/DX = 0.0 ! ! A26 A(7,12,9) 112.7304 -DE/DX = 0.0 ! ! A27 A(7,12,13) 107.6855 -DE/DX = 0.0 ! ! A28 A(7,12,14) 109.492 -DE/DX = 0.0 ! ! A29 A(9,12,13) 109.2791 -DE/DX = 0.0 ! ! A30 A(9,12,14) 111.6653 -DE/DX = 0.0 ! ! A31 A(13,12,14) 105.6691 -DE/DX = 0.0 ! ! A32 A(12,14,21) 123.5113 -DE/DX = 0.0 ! ! A33 A(18,15,21) 110.0605 -DE/DX = 0.0 ! ! A34 A(18,15,22) 109.7874 -DE/DX = 0.0 ! ! A35 A(18,15,23) 109.7874 -DE/DX = 0.0 ! ! A36 A(21,15,22) 109.8868 -DE/DX = 0.0 ! ! A37 A(21,15,23) 109.8868 -DE/DX = 0.0 ! ! A38 A(22,15,23) 107.3905 -DE/DX = 0.0 ! ! A39 A(1,16,17) 106.8162 -DE/DX = 0.0 ! ! A40 A(1,16,19) 88.4724 -DE/DX = 0.0 ! ! A41 A(1,16,23) 106.8894 -DE/DX = 0.0 ! ! A42 A(17,16,19) 127.1126 -DE/DX = 0.0 ! ! A43 A(17,16,23) 108.9925 -DE/DX = 0.0 ! ! A44 A(19,16,23) 114.2776 -DE/DX = 0.0 ! ! A45 A(7,17,16) 106.8162 -DE/DX = 0.0 ! ! A46 A(7,17,20) 88.4724 -DE/DX = 0.0 ! ! A47 A(7,17,22) 106.8894 -DE/DX = 0.0 ! ! A48 A(16,17,20) 127.1126 -DE/DX = 0.0 ! ! A49 A(16,17,22) 108.9925 -DE/DX = 0.0 ! ! A50 A(20,17,22) 114.2776 -DE/DX = 0.0 ! ! A51 A(11,21,14) 60.4774 -DE/DX = 0.0 ! ! A52 A(11,21,15) 104.5065 -DE/DX = 0.0 ! ! A53 A(14,21,15) 104.5065 -DE/DX = 0.0 ! ! A54 A(15,22,17) 106.8819 -DE/DX = 0.0 ! ! A55 A(15,23,16) 106.8819 -DE/DX = 0.0 ! ! D1 D(2,1,3,4) -5.5884 -DE/DX = 0.0 ! ! D2 D(2,1,3,5) -171.6751 -DE/DX = 0.0 ! ! D3 D(9,1,3,4) -159.4828 -DE/DX = 0.0 ! ! D4 D(9,1,3,5) 34.4305 -DE/DX = 0.0 ! ! D5 D(16,1,3,4) 100.8365 -DE/DX = 0.0 ! ! D6 D(16,1,3,5) -65.2502 -DE/DX = 0.0 ! ! D7 D(2,1,9,10) -66.8069 -DE/DX = 0.0 ! ! D8 D(2,1,9,11) 47.6229 -DE/DX = 0.0 ! ! D9 D(2,1,9,12) 172.5751 -DE/DX = 0.0 ! ! D10 D(3,1,9,10) 88.0049 -DE/DX = 0.0 ! ! D11 D(3,1,9,11) -157.5653 -DE/DX = 0.0 ! ! D12 D(3,1,9,12) -32.6132 -DE/DX = 0.0 ! ! D13 D(16,1,9,10) -169.3558 -DE/DX = 0.0 ! ! D14 D(16,1,9,11) -54.926 -DE/DX = 0.0 ! ! D15 D(16,1,9,12) 70.0262 -DE/DX = 0.0 ! ! D16 D(2,1,16,17) 178.4052 -DE/DX = 0.0 ! ! D17 D(2,1,16,19) 49.9061 -DE/DX = 0.0 ! ! D18 D(2,1,16,23) -65.0389 -DE/DX = 0.0 ! ! D19 D(3,1,16,17) 56.5233 -DE/DX = 0.0 ! ! D20 D(3,1,16,19) -71.9758 -DE/DX = 0.0 ! ! D21 D(3,1,16,23) 173.0792 -DE/DX = 0.0 ! ! D22 D(9,1,16,17) -64.9013 -DE/DX = 0.0 ! ! D23 D(9,1,16,19) 166.5996 -DE/DX = 0.0 ! ! D24 D(9,1,16,23) 51.6546 -DE/DX = 0.0 ! ! D25 D(1,3,5,6) 166.1591 -DE/DX = 0.0 ! ! D26 D(1,3,5,7) 0.0 -DE/DX = 0.0 ! ! D27 D(4,3,5,6) 0.0 -DE/DX = 0.0 ! ! D28 D(4,3,5,7) -166.1591 -DE/DX = 0.0 ! ! D29 D(3,5,7,8) 171.6751 -DE/DX = 0.0 ! ! D30 D(3,5,7,12) -34.4305 -DE/DX = 0.0 ! ! D31 D(3,5,7,17) 65.2503 -DE/DX = 0.0 ! ! D32 D(6,5,7,8) 5.5884 -DE/DX = 0.0 ! ! D33 D(6,5,7,12) 159.4828 -DE/DX = 0.0 ! ! D34 D(6,5,7,17) -100.8364 -DE/DX = 0.0 ! ! D35 D(5,7,12,9) 32.6132 -DE/DX = 0.0 ! ! D36 D(5,7,12,13) -88.0048 -DE/DX = 0.0 ! ! D37 D(5,7,12,14) 157.5654 -DE/DX = 0.0 ! ! D38 D(8,7,12,9) -172.575 -DE/DX = 0.0 ! ! D39 D(8,7,12,13) 66.8069 -DE/DX = 0.0 ! ! D40 D(8,7,12,14) -47.6229 -DE/DX = 0.0 ! ! D41 D(17,7,12,9) -70.0262 -DE/DX = 0.0 ! ! D42 D(17,7,12,13) 169.3558 -DE/DX = 0.0 ! ! D43 D(17,7,12,14) 54.926 -DE/DX = 0.0 ! ! D44 D(5,7,17,16) -56.5233 -DE/DX = 0.0 ! ! D45 D(5,7,17,20) 71.9758 -DE/DX = 0.0 ! ! D46 D(5,7,17,22) -173.0792 -DE/DX = 0.0 ! ! D47 D(8,7,17,16) -178.4052 -DE/DX = 0.0 ! ! D48 D(8,7,17,20) -49.9061 -DE/DX = 0.0 ! ! D49 D(8,7,17,22) 65.0389 -DE/DX = 0.0 ! ! D50 D(12,7,17,16) 64.9013 -DE/DX = 0.0 ! ! D51 D(12,7,17,20) -166.5996 -DE/DX = 0.0 ! ! D52 D(12,7,17,22) -51.6546 -DE/DX = 0.0 ! ! D53 D(1,9,11,21) 101.4846 -DE/DX = 0.0 ! ! D54 D(10,9,11,21) -142.7944 -DE/DX = 0.0 ! ! D55 D(12,9,11,21) -24.0823 -DE/DX = 0.0 ! ! D56 D(1,9,12,7) 0.0 -DE/DX = 0.0 ! ! D57 D(1,9,12,13) 119.7013 -DE/DX = 0.0 ! ! D58 D(1,9,12,14) -123.7584 -DE/DX = 0.0 ! ! D59 D(10,9,12,7) -119.7014 -DE/DX = 0.0 ! ! D60 D(10,9,12,13) 0.0 -DE/DX = 0.0 ! ! D61 D(10,9,12,14) 116.5402 -DE/DX = 0.0 ! ! D62 D(11,9,12,7) 123.7583 -DE/DX = 0.0 ! ! D63 D(11,9,12,13) -116.5403 -DE/DX = 0.0 ! ! D64 D(11,9,12,14) 0.0 -DE/DX = 0.0 ! ! D65 D(9,11,21,14) 26.0368 -DE/DX = 0.0 ! ! D66 D(9,11,21,15) -72.6379 -DE/DX = 0.0 ! ! D67 D(7,12,14,21) -101.4846 -DE/DX = 0.0 ! ! D68 D(9,12,14,21) 24.0824 -DE/DX = 0.0 ! ! D69 D(13,12,14,21) 142.7945 -DE/DX = 0.0 ! ! D70 D(12,14,21,11) -26.0368 -DE/DX = 0.0 ! ! D71 D(12,14,21,15) 72.6379 -DE/DX = 0.0 ! ! D72 D(18,15,21,11) -148.6551 -DE/DX = 0.0 ! ! D73 D(18,15,21,14) 148.6551 -DE/DX = 0.0 ! ! D74 D(22,15,21,11) 90.3245 -DE/DX = 0.0 ! ! D75 D(22,15,21,14) 27.6348 -DE/DX = 0.0 ! ! D76 D(23,15,21,11) -27.6348 -DE/DX = 0.0 ! ! D77 D(23,15,21,14) -90.3245 -DE/DX = 0.0 ! ! D78 D(18,15,22,17) 128.395 -DE/DX = 0.0 ! ! D79 D(21,15,22,17) -110.4205 -DE/DX = 0.0 ! ! D80 D(23,15,22,17) 9.0751 -DE/DX = 0.0 ! ! D81 D(18,15,23,16) -128.395 -DE/DX = 0.0 ! ! D82 D(21,15,23,16) 110.4205 -DE/DX = 0.0 ! ! D83 D(22,15,23,16) -9.0751 -DE/DX = 0.0 ! ! D84 D(1,16,17,7) 0.0 -DE/DX = 0.0 ! ! D85 D(1,16,17,20) -101.172 -DE/DX = 0.0 ! ! D86 D(1,16,17,22) 115.1506 -DE/DX = 0.0 ! ! D87 D(19,16,17,7) 101.1719 -DE/DX = 0.0 ! ! D88 D(19,16,17,20) 0.0 -DE/DX = 0.0 ! ! D89 D(19,16,17,22) -143.6775 -DE/DX = 0.0 ! ! D90 D(23,16,17,7) -115.1506 -DE/DX = 0.0 ! ! D91 D(23,16,17,20) 143.6775 -DE/DX = 0.0 ! ! D92 D(23,16,17,22) 0.0 -DE/DX = 0.0 ! ! D93 D(1,16,23,15) -109.4353 -DE/DX = 0.0 ! ! D94 D(17,16,23,15) 5.668 -DE/DX = 0.0 ! ! D95 D(19,16,23,15) 154.4578 -DE/DX = 0.0 ! ! D96 D(7,17,22,15) 109.4353 -DE/DX = 0.0 ! ! D97 D(16,17,22,15) -5.668 -DE/DX = 0.0 ! ! D98 D(20,17,22,15) -154.4577 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-275|Freq|RB3LYP|6-31G(d)|C9H12O2|DT2315|16- Dec-2017|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,-1.1940387779,-1.3645228421,0.0 781656986|H,-1.0886343817,-2.4446887362,-0.0124180857|C,-2.1095980032, -0.703854088,-0.7267738969|H,-2.649198758,-1.2443430566,-1.5020789688| C,-2.1095902037,0.703902426,-0.7267467538|H,-2.6491849629,1.2444272571 ,-1.5020309819|C,-1.1940234258,1.3645298769,0.0782181932|H,-1.08860731 55,2.4446981282,-0.0123236882|C,-0.7923699496,-0.7791156459,1.41665502 54|H,-1.5076183191,-1.1419468979,2.1678721662|H,0.1810109,-1.183584889 4,1.7152498492|C,-0.7923617021,0.7790666762,1.4166851471|H,-1.50760683 53,1.141876407,2.1679157468|H,0.1810232019,1.1835140274,1.7152963856|C ,2.4040776017,-0.0000213331,0.4187062425|C,0.758535676,-0.6945967923,- 0.9710115072|C,0.7585425795,0.694624552,-0.9709845207|H,3.487505993,-0 .0000233569,0.2404497365|H,0.5062335483,-1.3445858693,-1.7922104232|H, 0.5062474901,1.3446477996,-1.7921585506|H,2.199764664,-0.0000412829,1. 4982093574|O,1.8159337765,1.1479167925,-0.1857298326|O,1.8159222037,-1 .1479301522,-0.1857743389||Version=EM64W-G09RevD.01|State=1-A|HF=-500. 488669|RMSD=3.186e-009|RMSF=2.034e-007|ZeroPoint=0.1939399|Thermal=0.2 0326|Dipole=0.1144755,0.0000001,-0.0984594|DipoleDeriv=0.1018749,0.085 7514,-0.0385854,-0.0105482,0.1298638,0.0104747,-0.0908311,-0.1437811,0 .1388125,0.0532445,-0.026658,-0.0115893,0.0002437,-0.1443191,-0.019768 1,0.0008538,0.0033527,0.009807,-0.2425587,-0.0826582,0.1428401,0.04961 36,-0.0182942,0.0043543,0.1005348,0.2329123,-0.0367221,0.0376677,-0.02 78194,-0.0752856,-0.0562582,0.0071502,-0.0598449,-0.1370188,-0.0872376 ,-0.0390809,-0.2425598,0.0826552,0.1428434,-0.0496146,-0.0182859,-0.00 43551,0.1005301,-0.2329128,-0.0367312,0.0376688,0.0278219,-0.0752839,0 .056263,0.0071436,0.0598475,-0.1370156,0.0872409,-0.0390751,0.1018749, -0.0857496,-0.0385892,0.0105511,0.129859,-0.0104743,-0.0908296,0.14378 18,0.1388174,0.053245,0.0266563,-0.011588,-0.000246,-0.1443197,0.01976 22,0.0008537,-0.0033587,0.0098077,0.1521018,-0.0673165,0.0106286,0.008 9986,-0.019561,-0.0216538,-0.032746,-0.0276533,0.0743014,-0.0332629,-0 .0552678,0.0960385,-0.0254006,0.0283337,0.0141702,0.1001816,0.1027965, -0.120761,-0.0779749,0.085863,-0.1069557,0.0423698,-0.0026753,0.005857 9,-0.0359586,0.0131741,0.0167454,0.1521024,0.0673143,0.0106314,-0.0089 991,-0.0195637,0.0216499,-0.0327457,0.02765,0.0743031,-0.0332621,0.055 2647,0.0960405,0.0253974,0.0283374,-0.0141654,0.1001814,-0.1027917,-0. 1207652,-0.0779762,-0.085858,-0.1069591,-0.0423675,-0.0026731,-0.00585 76,-0.0359604,-0.0131746,0.0167447,1.0762824,-0.0000051,0.1344395,-0.0 00011,0.5784554,-0.0000033,0.4704199,-0.0000049,0.7104972,0.7732289,-0 .2543408,0.1134281,-0.5450767,0.1428112,-0.0064517,0.5185963,0.0747964 ,0.1211741,0.7732353,0.2543297,0.1134379,0.5450505,0.1428052,0.0064515 ,0.5186162,-0.074801,0.1211717,-0.2976926,0.0000018,-0.0030321,0.00000 13,0.0560431,0.000001,0.0226176,0.0000008,0.0066717,-0.0513692,0.02513 56,-0.0023643,0.0128194,0.0721391,-0.031175,0.0036913,-0.0670379,0.003 7476,-0.0513694,-0.0251342,-0.002365,-0.0128186,0.0721357,0.0311777,0. 0036913,0.0670406,0.0037513,-0.0119732,-0.0000013,0.0722104,0.0000015, 0.0023925,0.0000036,-0.0793381,0.0000044,-0.2024931,-1.0962645,-0.1975 073,-0.2299736,-0.089602,-0.5138896,0.135099,-0.6341632,-0.0283492,-0. 4253603,-1.096263,0.1975223,-0.2299672,0.0896325,-0.5138883,-0.1351002 ,-0.6341608,0.0283524,-0.425364|Polar=121.1856318,-0.0002487,96.577020 6,6.4021543,0.0001616,86.0910497|PG=C01 [X(C9H12O2)]|NImag=1||0.259037 67,-0.14180027,0.66545870,0.21633222,-0.01096577,0.46162325,-0.0424776 8,0.02512508,-0.00903683,0.04003796,0.03325349,-0.32794570,-0.02615077 ,-0.03452008,0.34653818,-0.00878013,-0.02501339,-0.05108054,0.00999605 ,0.02797837,0.05227644,-0.17077462,0.10430723,-0.14302751,0.00172220,- 0.00139223,0.00007389,0.39323930,0.04473768,-0.17035152,0.06593375,0.0 2568740,-0.01108257,0.01833350,-0.01322164,0.65396167,-0.12135618,0.07 949929,-0.19240574,0.00248051,-0.00307458,0.00370426,0.28753760,0.0443 6038,0.47245308,-0.00243537,-0.01207273,-0.01683903,-0.00222701,-0.000 58235,0.00251310,-0.11270251,-0.06042143,-0.10789322,0.11148138,0.0071 4254,0.01070268,0.01402052,-0.00095066,0.00088171,0.00018885,-0.063493 56,-0.12570835,-0.09987715,0.07068846,0.13125879,-0.00934319,-0.010027 94,-0.01067649,0.00314596,0.00103850,-0.00111445,-0.11027783,-0.103390 18,-0.18632366,0.12171694,0.10714247,0.19392669,0.01648832,0.01939414, 0.00412526,-0.00009715,0.00302108,-0.00460370,-0.07455556,0.01638290,- 0.03436485,0.00252103,-0.01778582,0.00051471,0.39323968,0.07073233,-0. 03648126,0.02093413,-0.00071054,0.00054219,0.00235366,-0.01638421,-0.3 1047569,-0.03293244,-0.00215052,-0.01143196,0.00440147,0.01321347,0.65 396473,0.02139481,0.01815162,0.01047944,-0.00786387,0.00094167,0.00204 083,-0.03436513,0.03292485,-0.10372814,0.00159924,-0.02421515,0.002024 58,0.28753763,-0.04435662,0.47244961,0.00605892,-0.00082279,-0.0028043 4,0.00034654,-0.00000353,-0.00020585,0.00252124,0.00215030,0.00159959, -0.00201836,0.00008329,0.00199754,-0.11270112,0.06042546,-0.10788981,0 .11147980,-0.00188293,-0.00566106,-0.00152231,0.00159174,-0.00064077,0 .00079674,0.01778564,-0.01143295,0.02421461,-0.00008333,0.00127223,-0. 00046764,0.06349767,-0.12571755,0.09988069,-0.07069294,0.13126862,-0.0 0288246,0.00019052,0.00299644,-0.00017471,-0.00017893,0.00020549,0.000 51534,-0.00440200,0.00202534,0.00199754,0.00046768,-0.00044265,-0.1102 7426,0.10339376,-0.18631582,0.12171303,-0.10714625,0.19391842,-0.05320 946,0.00647369,-0.00609551,0.00035368,0.00000049,-0.00116178,0.0164873 4,-0.07073375,0.02139191,0.00605895,0.00188291,-0.00288239,-0.17077632 ,-0.04473298,-0.12135876,-0.00243531,-0.00714202,-0.00934335,0.2590406 9,-0.00647294,-0.00526178,-0.00480700,-0.00158768,0.00047046,0.0013479 8,-0.01939486,-0.03647875,-0.01815365,0.00082276,-0.00566115,-0.000190 82,-0.10430170,-0.17034420,-0.07949707,0.01207352,0.01070277,0.0100288 6,0.14179637,0.66545482,-0.00609569,0.00480700,-0.00543083,-0.00067009 ,-0.00032565,-0.00084431,0.00412430,-0.02093596,0.01047794,-0.00280429 ,0.00152200,0.00299649,-0.14303227,-0.06593132,-0.19241131,-0.01683871 ,-0.01401950,-0.01067663,0.21633780,0.01097127,0.46162415,0.00035371,0 .00158771,-0.00067002,-0.00027137,-0.00019562,0.00031417,-0.00009719,0 .00071085,-0.00786386,0.00034652,-0.00159174,-0.00017476,0.00172192,-0 .02568764,0.00247954,-0.00222699,0.00095057,0.00314598,-0.04247828,-0. 02512783,-0.00903751,0.04003870,-0.00000045,0.00047048,0.00032571,0.00 019561,0.00000358,-0.00013403,-0.00302089,0.00054234,-0.00094164,0.000 00353,-0.00064073,0.00017890,0.00139208,-0.01108170,0.00307397,0.00058 228,0.00088174,-0.00103845,-0.03325625,-0.32794709,0.02614013,0.034523 03,0.34653962,-0.00116180,-0.00134792,-0.00084435,0.00031418,0.0001340 2,0.00003270,-0.00460384,-0.00235367,0.00204071,-0.00020586,-0.0007967 7,0.00020547,0.00007375,-0.01833405,0.00370367,0.00251312,-0.00018880, -0.00111450,-0.00878114,0.02500275,-0.05107854,0.00999705,-0.02796707, 0.05227426,-0.06764718,-0.00789173,-0.03223269,0.00214664,0.00117333,0 .00176598,-0.01076762,0.00037791,-0.02607038,0.00207386,0.00316369,-0. 00660098,-0.00635085,-0.00795013,-0.00072890,-0.00062243,-0.00024891,0 .00060210,0.00650054,0.00878792,0.00469289,0.00089915,0.00051103,-0.00 193247,0.57816269,-0.00193915,-0.10693966,-0.03497519,-0.00714626,-0.0 0861188,-0.02908542,-0.00257688,0.01865066,0.00973801,0.00398557,-0.00 087240,0.00060870,-0.00457347,-0.00501815,-0.00215504,-0.00004110,-0.0 0026324,-0.00080298,0.00481144,-0.01659550,0.01526240,0.00238301,0.000 71833,-0.00106462,-0.02318796,0.46050137,-0.04441403,-0.04237112,-0.16 721421,0.00072000,0.00148633,-0.00000022,-0.00793537,-0.00516952,-0.01 962428,-0.00097536,0.00079798,0.00154533,0.00073498,-0.00238109,0.0017 4551,0.00072748,-0.00036360,-0.00023303,0.00059971,0.02882122,0.004405 64,-0.00087563,0.00161060,-0.00546439,-0.00480124,-0.03933441,0.500161 49,0.00618661,0.00384285,-0.00800498,0.00034660,0.00023001,0.00065777, 0.00066951,-0.00055576,-0.00120479,-0.00043022,-0.00010128,0.00051659, 0.00037804,-0.00032062,0.00028520,0.00003522,0.00001522,-0.00000911,-0 .00043492,0.00059553,-0.00048955,0.00008301,0.00004004,-0.00003099,-0. 16003048,-0.05398583,0.11198812,0.17107941,0.00636111,0.00510010,-0.00 878751,-0.00003807,0.00012125,0.00066814,0.00100350,-0.00137743,-0.000 35743,-0.00034094,-0.00008837,0.00043285,0.00108785,0.00090958,0.00024 513,0.00009990,0.00005196,0.00003908,-0.00187871,-0.00323201,-0.002342 22,-0.00034442,-0.00019678,0.00157974,-0.05155692,-0.07027216,0.053887 05,0.05696076,0.08343408,0.01331213,0.00749646,-0.02750972,-0.00018429 ,-0.00042839,0.00062745,0.00218813,-0.00449947,0.00130102,-0.00087686, -0.00018918,0.00074507,0.00114493,0.00263462,0.00116685,0.00013965,0.0 0000612,-0.00014947,-0.00199990,-0.00030070,-0.00035259,0.00021110,-0. 00005156,-0.00009018,0.11537385,0.05839213,-0.16153572,-0.12372712,-0. 05688995,0.17809772,-0.00625542,0.00242904,-0.00333960,0.00039483,-0.0 0025567,-0.00036486,-0.00024497,-0.00210649,-0.00094342,0.00021222,0.0 0037131,-0.00058762,0.00014410,-0.00055329,0.00038686,-0.00002721,0.00 007831,0.00001922,0.00027820,-0.00064226,0.00013473,-0.00012041,-0.000 07700,0.00023898,-0.25763256,0.08428046,-0.06167898,-0.02175045,0.0075 1276,-0.00515603,0.28099435,-0.01134875,0.00636036,-0.00043527,-0.0000 5034,0.00036917,0.00061230,-0.00058368,0.00102153,-0.00330026,-0.00002 411,0.00028876,-0.00060424,-0.00070841,-0.00115076,-0.00018618,-0.0000 6294,0.00011378,0.00011546,0.00074620,-0.00326409,-0.00188719,0.000488 73,-0.00056522,0.00101235,0.08344902,-0.08500418,0.02439031,-0.0091412 0,0.00381897,-0.00328826,-0.08797959,0.09230594,-0.02798611,0.01262302 ,-0.01165739,0.00090739,-0.00017574,0.00076245,-0.00230759,-0.00398848 ,-0.00382934,-0.00036935,0.00091705,-0.00162118,0.00027232,-0.00090473 ,0.00035279,-0.00004610,0.00008050,0.00006956,0.00072205,0.00080724,-0 .00039632,-0.00018010,0.00014649,-0.00007713,-0.05767685,0.02493429,-0 .06445946,0.02136781,-0.00823197,0.00697588,0.06657966,-0.02511501,0.0 7350227,0.00650041,-0.00878838,0.00469237,0.00089912,-0.00051096,-0.00 193249,-0.00635070,0.00795018,-0.00072856,-0.00062243,0.00024889,0.000 60212,-0.01076760,-0.00037659,-0.02607047,0.00207377,-0.00316347,-0.00 660110,-0.06764701,0.00789252,-0.03223203,0.00214670,-0.00117352,0.001 76624,-0.07916968,-0.00009272,-0.00485832,0.00037673,-0.01947046,-0.00 050162,0.00353293,0.02571296,-0.00005453,0.57816322,-0.00481173,-0.016 59365,-0.01526323,-0.00238298,0.00071838,0.00106489,0.00457345,-0.0050 1846,0.00215478,0.00004108,-0.00026329,0.00080297,0.00257751,0.0186508 0,-0.00973623,-0.00398556,-0.00087227,-0.00060872,0.00194041,-0.106942 78,0.03497790,0.00714610,-0.00861300,0.02908506,0.00009206,-0.16027080 ,0.00536707,0.00244862,-0.01573702,-0.00077352,-0.00192996,-0.01131713 ,-0.00086517,0.02318687,0.46049777,0.00059918,-0.02882209,0.00440401,- 0.00087574,-0.00161035,-0.00546441,0.00073518,0.00238083,0.00174569,0. 00072749,0.00036359,-0.00023298,-0.00793521,0.00517106,-0.01962446,-0. 00097552,-0.00079806,0.00154527,-0.04441353,0.04237401,-0.16721127,0.0 0072026,-0.00148666,0.00000085,-0.00485833,-0.00537021,-0.07545072,-0. 00101346,0.02015959,0.00115458,0.00220561,0.00750901,-0.00059786,-0.00 479980,0.03933283,0.50016443,-0.00043491,-0.00059554,-0.00048955,0.000 08302,-0.00004004,-0.00003101,0.00037803,0.00032062,0.00028521,0.00003 522,-0.00001522,-0.00000911,0.00066951,0.00055578,-0.00120477,-0.00043 021,0.00010126,0.00051659,0.00618649,-0.00384254,-0.00800500,0.0003466 0,-0.00023003,0.00065775,0.00037691,-0.00244874,-0.00101376,0.00237939 ,-0.00025684,-0.00062868,0.00078337,0.00051153,-0.00003935,-0.16002955 ,0.05398249,0.11198966,0.17107840,0.00187876,-0.00323212,0.00234211,0. 00034441,-0.00019672,-0.00157974,-0.00108789,0.00090970,-0.00024514,-0 .00009990,0.00005196,-0.00003907,-0.00100361,-0.00137761,0.00035733,0. 00034098,-0.00008836,-0.00043289,-0.00636163,0.00510015,0.00878885,0.0 0003807,0.00012126,-0.00066817,0.01947033,-0.01573645,-0.02016020,0.00 025686,0.00140434,-0.00085554,0.00003194,-0.00403828,-0.00056972,0.051 55345,-0.07026891,-0.05388467,-0.05695697,0.08343087,-0.00199983,0.000 30061,-0.00035249,0.00021112,0.00005155,-0.00009024,0.00114486,-0.0026 3464,0.00116673,0.00013965,-0.00000611,-0.00014947,0.00218813,0.004499 34,0.00130121,-0.00087684,0.00018916,0.00074506,0.01331183,-0.00749534 ,-0.02750965,-0.00018429,0.00042837,0.00062744,-0.00050086,0.00077287, 0.00115382,-0.00062867,0.00085553,0.00222907,-0.00046443,0.00050945,-0 .00002496,0.11537525,-0.05838979,-0.16153989,-0.12372874,0.05688754,0. 17810194,0.00027819,0.00064222,0.00013478,-0.00012042,0.00007698,0.000 23897,0.00014411,0.00055326,0.00038688,-0.00002721,-0.00007831,0.00001 921,-0.00024494,0.00210653,-0.00094330,0.00021221,-0.00037128,-0.00058 763,-0.00625530,-0.00242877,-0.00333968,0.00039484,0.00025568,-0.00036 485,0.00353268,0.00192973,0.00220561,0.00078336,-0.00003198,-0.0004644 4,0.00197368,0.00000224,0.00022240,-0.25763426,-0.08427624,-0.06168265 ,-0.02175044,-0.00751230,-0.00515631,0.28099608,-0.00074627,-0.0032641 4,0.00188708,-0.00048873,-0.00056517,-0.00101238,0.00070838,-0.0011508 1,0.00018612,0.00006295,0.00011378,-0.00011546,0.00058378,0.00102121,0 .00330046,0.00002413,0.00028878,0.00060432,0.01134996,0.00636072,0.000 43601,0.00005030,0.00036919,-0.00061231,-0.02571311,-0.01131664,-0.007 50949,-0.00051158,-0.00403826,-0.00050959,-0.00000225,0.00186025,-0.00 022429,-0.08344493,-0.08500046,-0.02439054,0.00914064,0.00381850,0.003 28820,0.08797500,0.09230213,0.00072201,-0.00080736,-0.00039628,-0.0001 8012,-0.00014651,-0.00007717,0.00027236,0.00090467,0.00035283,-0.00004 610,-0.00008050,0.00006955,-0.00230752,0.00398869,-0.00382906,-0.00036 936,-0.00091697,-0.00162119,-0.02798579,-0.01262202,-0.01165787,0.0009 0738,0.00017572,0.00076244,-0.00005553,0.00086473,-0.00059812,-0.00003 937,0.00056957,-0.00002496,0.00022243,0.00022439,0.00126519,-0.0576804 8,-0.02493451,-0.06446143,0.02136822,0.00823161,0.00697634,0.06658349, 0.02511507,0.07350438,-0.00083774,-0.00029582,-0.00034148,0.00014594,0 .00009353,-0.00015563,-0.00008152,0.00038797,0.00002132,0.00007167,0.0 0008561,0.00010552,-0.00008148,-0.00038798,0.00002131,0.00007167,-0.00 008561,0.00010551,-0.00083776,0.00029584,-0.00034146,0.00014594,-0.000 09353,-0.00015563,-0.00003671,-0.00025577,0.00023689,0.00016219,0.0000 3551,-0.00021197,-0.00142829,-0.00017700,0.00119532,-0.00003671,0.0002 5577,0.00023691,0.00016219,-0.00003551,-0.00021197,-0.00142825,0.00017 693,0.00119526,0.64640350,0.00118060,0.00019178,-0.00145310,-0.0002573 5,-0.00021369,-0.00009635,-0.00379515,-0.00139466,-0.00030991,0.000161 67,-0.00003251,0.00010851,0.00379509,-0.00139476,0.00030986,-0.0001616 7,-0.00003249,-0.00010851,-0.00118054,0.00019172,0.00145305,0.00025735 ,-0.00021370,0.00009636,-0.00023312,0.00082571,-0.00001174,0.00024141, -0.00036622,0.00002210,-0.00100623,-0.00027954,0.00185975,0.00023304,0 .00082568,0.00001174,-0.00024139,-0.00036621,-0.00002209,0.00100624,-0 .00027940,-0.00185977,-0.00000141,0.36025160,-0.00155471,-0.00031798,0 .00167010,0.00003002,-0.00004023,-0.00047204,0.00142443,-0.00125311,-0 .00009270,-0.00005004,0.00015268,-0.00005269,0.00142460,0.00125304,-0. 00009264,-0.00005004,-0.00015268,-0.00005270,-0.00155475,0.00031795,0. 00167017,0.00003003,0.00004024,-0.00047204,0.00240521,-0.00052346,0.00 093280,-0.00073167,-0.00003211,-0.00060889,0.00001752,0.00204785,0.000 17604,0.00240522,0.00052343,0.00093282,-0.00073168,0.00003212,-0.00060 889,0.00001754,-0.00204786,0.00017589,-0.00462069,-0.00000498,0.615328 39,0.05525293,0.00734580,-0.00557402,-0.00086926,0.00083608,0.00068725 ,-0.03267712,0.03258844,-0.01353868,-0.00153087,0.00045416,0.00149413, -0.00722747,-0.02920692,-0.01010286,-0.00126226,-0.00047132,0.00077213 ,0.02609915,0.00561635,0.00247204,-0.00144021,-0.00025370,0.00094701,- 0.00600432,-0.00197722,0.01246571,-0.00103243,0.00087885,-0.00016745,- 0.00177106,0.00061841,-0.00331992,-0.00271216,-0.00026200,0.00140152,- 0.00010912,-0.00029628,0.00053041,-0.00038289,-0.00044385,-0.00054215, -0.03086200,-0.04808943,-0.02257752,0.26316920,0.07106154,-0.01098177, -0.00722676,-0.00782467,-0.00152743,0.00544523,-0.02424989,0.04199332, -0.02214736,-0.00268326,0.00020424,0.00188756,-0.01765355,-0.04380963, -0.01943916,-0.00275099,-0.00020324,0.00171901,0.06379534,-0.00390037, -0.00379718,-0.00189158,0.00009507,0.00177509,-0.00812326,0.00040358,0 .00419482,0.00036345,0.00101563,0.00193385,0.00021417,-0.00036546,-0.0 0002128,-0.00758009,0.00041223,0.00387542,-0.00012123,-0.00104519,0.00 304847,-0.00002050,0.00048658,-0.00049967,-0.01978435,0.00865020,-0.01 411119,-0.02264627,0.67745206,-0.03386485,-0.00662345,-0.00595171,0.00 069476,-0.00025097,-0.00074063,0.01004500,-0.01518885,0.00604748,0.000 72636,-0.00033624,-0.00089516,0.00355971,0.01603516,0.00830012,0.00093 828,-0.00003297,-0.00053846,-0.01703393,-0.00364282,-0.00039486,0.0012 2050,-0.00042377,-0.00108190,0.01307720,0.00235246,-0.01317108,-0.0004 9235,-0.00183101,-0.00381444,0.00089274,0.00068759,-0.00239373,0.00348 931,0.00030664,-0.00091709,-0.00024298,0.00060220,-0.00094982,-0.00049 197,-0.00063095,0.00006608,-0.02996249,-0.02469350,-0.02645705,0.23120 468,0.19338964,0.45426505,0.02609846,-0.00561675,0.00247185,-0.0014401 9,0.00025368,0.00094700,-0.00722699,0.02920696,-0.01010155,-0.00126223 ,0.00047130,0.00077213,-0.03267728,-0.03258716,-0.01353973,-0.00153085 ,-0.00045420,0.00149409,0.05525222,-0.00734630,-0.00557429,-0.00086920 ,-0.00083611,0.00068717,-0.00271208,0.00026199,0.00140149,-0.00010912, 0.00029625,0.00053039,-0.00038288,0.00044389,-0.00054214,-0.00600424,0 .00197681,0.01246576,-0.00103244,-0.00087882,-0.00016751,-0.00177107,- 0.00061824,-0.00331990,-0.03086134,0.04809070,-0.02257550,-0.05365650, -0.05702101,-0.00220051,0.26316963,-0.06379490,-0.00389988,0.00379697, 0.00189155,0.00009510,-0.00177505,0.01765298,-0.04381026,0.01943724,0. 00275097,-0.00020321,-0.00171900,0.02425034,0.04199194,0.02214891,0.00 268325,0.00020427,-0.00188753,-0.07106101,-0.01098151,0.00722665,0.007 82466,-0.00152731,-0.00544529,0.00757998,0.00041230,-0.00387536,0.0001 2123,-0.00104505,-0.00304848,0.00002053,0.00048652,0.00049966,0.008122 80,0.00040373,-0.00419441,-0.00036341,0.00101564,-0.00193366,-0.000214 19,-0.00036543,0.00002140,0.01978589,0.00864799,0.01411276,0.05701828, -0.32941259,-0.02053016,0.02264162,0.67746641,-0.01703638,0.00364289,- 0.00039456,0.00122057,0.00042380,-0.00108196,0.00356022,-0.01603724,0. 00830025,0.00093839,0.00003297,-0.00053853,0.01004613,0.01519016,0.006 04896,0.00072646,0.00033627,-0.00089522,-0.03386764,0.00662364,-0.0059 5119,0.00069508,0.00025092,-0.00074084,0.00348961,-0.00030664,-0.00091 727,-0.00024298,-0.00060220,-0.00094997,-0.00049197,0.00063099,0.00006 618,0.01307753,-0.00235210,-0.01317137,-0.00049234,0.00183120,-0.00381 444,0.00089271,-0.00068753,-0.00239378,-0.02996146,0.02469515,-0.02645 555,-0.00219812,0.02052087,-0.08815869,0.23120350,-0.19338336,0.454250 18,0.00067858,0.00023118,-0.00042075,-0.00000154,-0.00004374,0.0000332 5,-0.00058198,0.00046895,-0.00002479,-0.00004536,-0.00001904,-0.000027 33,-0.00058200,-0.00046894,-0.00002480,-0.00004536,0.00001905,-0.00002 733,0.00067858,-0.00023117,-0.00042076,-0.00000154,0.00004374,0.000033 25,-0.00001138,-0.00001541,0.00008672,-0.00010137,0.00002814,0.0001081 5,0.00006261,0.00002771,-0.00013170,-0.00001138,0.00001541,0.00008672, -0.00010137,-0.00002814,0.00010814,0.00006262,-0.00002771,-0.00013170, -0.29383727,0.00000018,0.05421721,-0.00059550,-0.00073328,0.00209310,- 0.00059551,0.00073316,0.00209309,0.31977347,-0.00049798,-0.00002797,-0 .00010062,0.00004052,0.00000990,-0.00001134,0.00048912,0.00020272,0.00 013328,-0.00000677,-0.00000719,-0.00003059,-0.00048909,0.00020276,-0.0 0013327,0.00000677,-0.00000719,0.00003059,0.00049795,-0.00002798,0.000 10063,-0.00004052,0.00000990,0.00001134,0.00011404,0.00003407,-0.00009 735,0.00000928,0.00001528,-0.00000723,0.00002639,0.00000246,-0.0001012 5,-0.00011402,0.00003407,0.00009736,-0.00000929,0.00001528,0.00000723, -0.00002640,0.00000244,0.00010125,0.00000004,-0.05090420,0.00000015,0. 00149129,-0.00420440,0.00395812,-0.00149128,-0.00420429,-0.00395827,-0 .00000040,0.05898413,0.00058206,0.00001673,-0.00030094,-0.00000874,0.0 0001005,0.00009180,-0.00052110,0.00061728,-0.00003492,0.00001276,-0.00 001456,0.00003292,-0.00052113,-0.00061726,-0.00003495,0.00001276,0.000 01456,0.00003292,0.00058208,-0.00001673,-0.00030093,-0.00000874,-0.000 01005,0.00009180,-0.00047887,0.00012104,-0.00025326,0.00024684,-0.0000 1293,0.00011293,0.00018561,-0.00045439,0.00003225,-0.00047887,-0.00012 102,-0.00025326,0.00024684,0.00001292,0.00011293,0.00018561,0.00045438 ,0.00003227,0.06125991,0.00000011,-0.07256917,-0.00124663,-0.00134318, -0.00096302,-0.00124668,0.00134307,-0.00096312,-0.04744332,0.00000004, 0.06919000,-0.01437846,0.00238328,0.00666410,0.00066047,-0.00034157,-0 .00023778,0.00267375,-0.00643021,0.00538133,0.00007507,-0.00006895,-0. 00046554,0.00209003,0.00533370,0.00110268,0.00023973,0.00012645,-0.000 15096,-0.00645541,0.00044119,0.00005122,0.00012897,0.00003865,-0.00013 772,0.00005931,-0.00029033,-0.00000414,0.00006661,0.00007708,0.0003891 7,0.00010677,-0.00002894,0.00047370,0.00063157,-0.00025909,-0.00059099 ,0.00000098,0.00004413,-0.00023602,0.00006743,0.00006032,0.00009527,-0 .00140385,0.00473584,-0.00436418,-0.03807145,-0.02286840,-0.06179129,0 .00383478,-0.00886608,0.00077117,-0.00037345,-0.00097442,-0.00040084,0 .06230001,-0.00496562,0.00197456,0.00252450,0.00021402,0.00003612,0.00 002378,0.00187204,-0.00177766,0.00151950,0.00012907,0.00010952,-0.0001 5970,0.00037329,0.00215560,0.00060108,0.00018525,-0.00002546,-0.000065 54,-0.00239211,-0.00061046,0.00003650,0.00022888,-0.00005541,-0.000179 67,-0.00011985,-0.00020177,0.00002630,0.00003714,0.00003770,0.00020537 ,0.00010480,-0.00003707,0.00009274,0.00013409,-0.00010095,-0.00004757, -0.00000375,0.00004571,-0.00009570,0.00000004,-0.00005367,0.00002805,0 .00213088,-0.00312860,0.00224667,-0.03821817,-0.17095252,-0.15596395,- 0.00882412,-0.00775156,-0.02023222,-0.00013824,-0.00003466,0.00004880, 0.04358252,0.17186397,0.00977637,-0.00082710,-0.00366682,-0.00004192,0 .00061830,0.00004439,-0.00390026,0.00487550,-0.00091490,0.00002302,0.0 0011193,0.00014205,-0.00122852,-0.00509622,-0.00145522,-0.00025346,0.0 0002209,0.00012179,0.00492646,0.00054765,0.00023169,-0.00015503,0.0000 2000,0.00016366,-0.00046291,0.00012259,0.00018500,0.00002403,-0.000004 17,-0.00012955,-0.00010468,-0.00007025,-0.00022345,-0.00065175,0.00014 741,0.00033111,0.00003924,-0.00004288,0.00021450,-0.00005861,0.0000536 4,-0.00002686,0.00022870,0.00285221,-0.00110835,-0.07746741,-0.1623505 8,-0.21810321,0.00214545,0.00959758,0.00663009,0.00013842,0.00036034,0 .00002950,0.07474474,0.15678506,0.22791977,-0.00645538,-0.00044113,0.0 0005120,0.00012896,-0.00003865,-0.00013772,0.00208996,-0.00533374,0.00 110247,0.00023973,-0.00012645,-0.00015097,0.00267381,0.00642995,0.0053 8156,0.00007507,0.00006896,-0.00046554,-0.01437844,-0.00238337,0.00666 400,0.00066048,0.00034157,-0.00023777,0.00063157,0.00025910,-0.0005909 8,0.00000098,-0.00004412,-0.00023602,0.00006743,-0.00006032,0.00009526 ,0.00005930,0.00029033,-0.00000412,0.00006661,-0.00007710,0.00038917,0 .00010676,0.00002892,0.00047370,-0.00140392,-0.00473568,-0.00436439,0. 00383494,0.00886594,0.00077171,-0.03807076,0.02286935,-0.06178872,-0.0 0037344,0.00097444,-0.00040080,-0.00130317,-0.00058296,0.00106959,0.06 229907,0.00239197,-0.00061046,-0.00003654,-0.00022888,-0.00005541,0.00 017966,-0.00037324,0.00215549,-0.00060095,-0.00018525,-0.00002546,0.00 006553,-0.00187193,-0.00177746,-0.00151959,-0.00012907,0.00010952,0.00 015971,0.00496540,0.00197460,-0.00252436,-0.00021402,0.00003615,-0.000 02378,-0.00013407,-0.00010095,0.00004756,0.00000375,0.00004571,0.00009 570,-0.00000004,-0.00005367,-0.00002805,0.00011987,-0.00020177,-0.0000 2632,-0.00003714,0.00003771,-0.00020537,-0.00010479,-0.00003707,-0.000 09274,-0.00213090,-0.00312833,-0.00224670,0.00882391,-0.00775217,0.020 23167,0.03821974,-0.17096535,0.15596641,0.00013824,-0.00003466,-0.0000 4880,0.00058294,0.00014624,-0.00090754,-0.04358422,0.17187691,0.004926 55,-0.00054773,0.00023167,-0.00015504,-0.00002001,0.00016367,-0.001228 48,0.00509637,-0.00145505,-0.00025347,-0.00002209,0.00012179,-0.003900 39,-0.00487549,-0.00091514,0.00002302,-0.00011193,0.00014205,0.0097765 8,0.00082722,-0.00366690,-0.00004194,-0.00061830,0.00004436,-0.0006517 6,-0.00014742,0.00033111,0.00003924,0.00004287,0.00021451,-0.00005861, -0.00005364,-0.00002686,-0.00046290,-0.00012261,0.00018499,0.00002403, 0.00000418,-0.00012956,-0.00010468,0.00007026,-0.00022345,0.00022860,- 0.00285229,-0.00110855,0.00214570,-0.00959816,0.00663051,-0.07746418,0 .16235321,-0.21809102,0.00013842,-0.00036035,0.00002948,0.00106962,0.0 0090756,-0.00071864,0.07474135,-0.15678799,0.22790778,-0.00013280,-0.0 0007015,-0.00051509,0.00004295,0.00005890,0.00001330,0.00015824,-0.000 41160,0.00034855,0.00000410,-0.00000870,0.00003146,0.00015824,0.000411 58,0.00034857,0.00000410,0.00000870,0.00003146,-0.00013280,0.00007017, -0.00051508,0.00004295,-0.00005890,0.00001330,-0.00045201,0.00008556,0 .00019771,-0.00001973,0.00009024,0.00010980,-0.00041617,-0.00051694,0. 00007433,-0.00045200,-0.00008556,0.00019771,-0.00001973,-0.00009024,0. 00010979,-0.00041615,0.00051694,0.00007434,-0.07722962,-0.00000111,0.0 6588127,0.00076501,-0.00122783,-0.00003550,0.00076494,0.00122779,-0.00 003543,-0.00615490,-0.00000055,0.03178984,-0.00059654,0.00017983,-0.00 037676,-0.00059653,-0.00017980,-0.00037675,0.07273254,-0.00004173,-0.0 0020942,-0.00004451,0.00001276,0.00002592,-0.00000963,0.00052192,0.000 15544,0.00022458,-0.00003573,-0.00000836,0.00002310,-0.00052190,0.0001 5548,-0.00022457,0.00003573,-0.00000836,-0.00002311,0.00004169,-0.0002 0942,0.00004451,-0.00001276,0.00002592,0.00000963,-0.00053199,0.000230 12,-0.00006100,0.00007158,-0.00000694,0.00012678,-0.00021057,-0.000363 13,-0.00005235,0.00053203,0.00023012,0.00006103,-0.00007159,-0.0000069 3,-0.00012679,0.00021056,-0.00036317,0.00005233,-0.00000096,-0.0450815 0,0.00000432,0.00754357,-0.00379266,-0.00114958,-0.00754372,-0.0037927 2,0.00114940,0.,0.00692121,0.00000007,-0.00119410,0.00075409,-0.000831 11,0.00119413,0.00075406,0.00083117,0.00000098,0.06224395,0.00086631,0 .00010346,-0.00007172,-0.00005156,0.00000871,0.00016221,-0.00047156,0. 00077534,-0.00021880,0.00004263,-0.00002706,0.00004082,-0.00047160,-0. 00077532,-0.00021884,0.00004263,0.00002706,0.00004082,0.00086632,-0.00 010347,-0.00007172,-0.00005156,-0.00000872,0.00016221,-0.00080317,0.00 015389,-0.00048873,0.00045486,-0.00004529,0.00023721,0.00038124,-0.000 67894,0.00010111,-0.00080315,-0.00015385,-0.00048873,0.00045485,0.0000 4527,0.00023721,0.00038127,0.00067890,0.00010112,0.05783294,0.00000436 ,-0.28432962,0.00256647,-0.00236983,0.00085409,0.00256619,0.00236963,0 .00085423,0.00374092,0.00000021,-0.00495574,-0.00043337,0.00026597,-0. 00049299,-0.00043333,-0.00026591,-0.00049297,-0.05332849,-0.00000461,0 .31399316,-0.00196121,0.00227909,-0.00292232,0.00011992,-0.00014504,0. 00013611,-0.00608785,-0.00332206,0.00135324,0.00034645,-0.00010127,-0. 00007376,0.00206491,-0.00101338,0.00220160,-0.00016464,0.00025117,-0.0 0032280,-0.00993356,-0.00235381,-0.00215818,0.00007577,0.00092810,0.00 023415,-0.00092394,-0.00015546,-0.00042360,0.00027801,-0.00010974,0.00 051170,0.00051297,-0.00064322,0.00062817,-0.00202210,-0.00068924,-0.00 379304,0.00108304,0.00035973,0.00013540,0.00096598,0.00067522,0.000115 36,-0.10339814,0.02200852,-0.03233841,-0.03634547,-0.02190477,-0.02565 240,-0.13257236,-0.07478053,-0.09694804,-0.00892103,0.03389457,-0.0211 7362,0.00378857,0.00007700,-0.00104572,-0.01414159,-0.00599542,-0.0073 6917,0.00597301,0.00944257,-0.00667417,0.27918736,0.00480793,-0.000090 89,-0.00087595,-0.00012046,0.00027147,0.00030842,-0.00110343,0.0029768 8,-0.00162418,-0.00038259,0.00000130,0.00022857,-0.00176340,-0.0025104 2,-0.00209704,-0.00042284,0.00005799,0.00017450,0.00524524,0.00129263, -0.00087958,-0.00120360,0.00075588,0.00058421,0.00006784,-0.00059350,0 .00055240,-0.00021048,0.00039988,0.00032522,-0.00000752,0.00015497,-0. 00029048,-0.00090378,0.00002117,-0.00015315,0.00041093,0.00000575,0.00 039641,0.00029878,-0.00034428,0.00139211,0.01392651,-0.13638589,0.0231 7380,-0.02366851,-0.04300041,-0.01497352,-0.04231517,-0.10976217,-0.00 870745,0.01146063,-0.00349132,0.00522553,0.00089794,-0.00332664,0.0018 9292,0.01698302,0.01093297,0.00787829,0.00552177,-0.00882787,0.0142516 5,0.02689028,0.35031477,0.00472213,0.00118002,-0.00166616,-0.00005462, 0.00013501,0.00035795,-0.00399892,0.00163142,-0.00153061,0.00001246,-0 .00008552,0.00017655,0.00101618,-0.00201935,0.00054262,-0.00013601,0.0 0006740,0.00001998,0.00324179,0.00033984,-0.00178497,-0.00042306,0.000 42420,0.00049637,-0.00144669,-0.00010040,0.00022143,0.00009098,0.00029 087,0.00057764,0.00046860,-0.00064227,0.00034381,-0.00210527,-0.000542 61,-0.00127168,0.00094360,-0.00036646,0.00172557,0.00145704,0.00102369 ,0.00166021,-0.02835225,0.03976525,-0.10320144,-0.03788764,-0.02966558 ,-0.00535655,-0.08206662,-0.03477929,-0.10627759,-0.00711220,0.0080822 4,0.00542051,-0.00063776,-0.00162381,0.00223842,-0.02129190,-0.0130552 0,-0.01141219,-0.02201887,0.03466115,-0.01247621,0.18088484,-0.0157502 4,0.22254833,-0.00993356,0.00235399,-0.00215807,0.00007577,-0.00092810 ,0.00023412,0.00206495,0.00101326,0.00220166,-0.00016464,-0.00025115,- 0.00032281,-0.00608782,0.00332210,0.00135338,0.00034646,0.00010127,-0. 00007376,-0.00196128,-0.00227896,-0.00292241,0.00011993,0.00014503,0.0 0013612,-0.00202210,0.00068941,-0.00379302,0.00108304,-0.00035974,0.00 013539,0.00096598,-0.00067524,0.00011532,-0.00092394,0.00015548,-0.000 42359,0.00027801,0.00010972,0.00051170,0.00051297,0.00064320,0.0006282 0,-0.10339850,-0.02200754,-0.03233949,-0.13257114,0.07478446,-0.096945 08,-0.03634501,0.02190574,-0.02565139,-0.00892149,-0.03389370,-0.02117 499,-0.01414171,0.00599597,-0.00736901,0.00378856,-0.00007704,-0.00104 574,0.00597288,-0.00944246,-0.00667468,0.02207591,-0.01440908,0.014694 21,0.27918673,-0.00524524,0.00129264,0.00087972,0.00120362,0.00075591, -0.00058420,0.00176331,-0.00251062,0.00209689,0.00042285,0.00005800,-0 .00017450,0.00110369,0.00297683,0.00162434,0.00038258,0.00000130,-0.00 022858,-0.00480810,-0.00009080,0.00087605,0.00012047,0.00027148,-0.000 30843,0.00090389,0.00002112,0.00015323,-0.00041098,0.00000576,-0.00039 648,-0.00029885,-0.00034416,-0.00139221,-0.00006778,-0.00059348,-0.000 55243,0.00021048,0.00039990,-0.00032523,0.00000750,0.00015492,0.000290 47,-0.01392566,-0.13638299,-0.02317470,0.04231854,-0.10976507,0.008708 28,0.02366993,-0.04300261,0.01497232,-0.01146031,-0.00349034,-0.005225 66,-0.01698195,0.01093290,-0.00787736,-0.00089799,-0.00332662,-0.00189 312,-0.00552107,-0.00882582,-0.01425144,0.01440768,-0.05885226,0.01102 966,-0.02689661,0.35031399,0.00324157,-0.00033977,-0.00178496,-0.00042 302,-0.00042419,0.00049634,0.00101628,0.00201922,0.00054278,-0.0001360 0,-0.00006739,0.00001997,-0.00399891,-0.00163120,-0.00153061,0.0000124 7,0.00008551,0.00017654,0.00472194,-0.00118002,-0.00166617,-0.00005462 ,-0.00013501,0.00035793,-0.00210523,0.00054268,-0.00127165,0.00094358, 0.00036638,0.00172557,0.00145701,-0.00102380,0.00166013,-0.00144669,0. 00010039,0.00022140,0.00009099,-0.00029088,0.00057761,0.00046861,0.000 64227,0.00034386,-0.02835317,-0.03976620,-0.10320386,-0.08206464,0.034 77997,-0.10627591,-0.03788645,0.02966452,-0.00535480,-0.00711273,-0.00 808252,0.00541999,-0.02129242,0.01305629,-0.01141199,-0.00063778,0.001 62360,0.00223840,-0.02201944,-0.03466079,-0.01247811,0.01469467,-0.011 03245,0.00864803,0.18088396,0.01575337,0.22254951||0.,0.,-0.00000015,0 .00000003,0.,-0.00000016,0.00000012,0.,-0.00000033,0.00000027,0.,-0.00 000042,0.00000019,0.00000004,-0.00000029,0.00000027,0.,-0.00000041,-0. 00000004,0.,-0.00000016,0.00000002,-0.00000003,-0.00000015,-0.00000019 ,0.00000003,-0.00000011,-0.00000035,0.,-0.00000023,-0.00000029,0.00000 002,0.00000005,-0.00000019,0.,-0.00000015,-0.00000034,-0.00000001,-0.0 0000023,-0.00000029,-0.00000004,0.00000006,-0.00000009,0.00000004,0.00 000046,0.00000014,0.,0.00000016,0.00000018,0.00000006,0.00000017,0.,0. ,0.00000061,0.00000032,-0.00000002,0.00000009,0.00000032,0.,0.00000012 ,-0.00000023,0.,0.00000042,0.00000005,0.,0.00000032,0.00000010,-0.0000 0003,0.00000034|||@ THE RARE EARTHS PERPLEX US IN OUR RESEARCHES, BAFFLE US IN OUR SPECULATIONS, AND HAUNT US IN OUR VERY DREAMS. THEY STRETCH LIKE AN UNKNOWN BEFORE US, MOCKING, MYSTIFYING, AND MURMURING STRANGE REVELATIONS AND POSSIBILITIES. -- SIR WILLIAM CROOKE, 1832-1919 Job cpu time: 0 days 0 hours 9 minutes 44.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Sat Dec 16 21:35:53 2017.